N#Cc1ccc(N2CCN(CC[C@H]3CCc4ccccc43)CC2)cn1	ZINC000852000019	EG	On-Demand	Mild	DRD2	15	43
N#Cc1ccc(N2CCN(CC[C@@H]3CCc4ccccc43)CC2)cn1	ZINC000852000020	EG	On-Demand	Mild	DRD2	15	43
C[C@@H](Cc1ccsc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852000023	FG	On-Demand	Anodyne	PAPA1_CARPA	27	48
C[C@@H](Cc1ccsc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852000024	FG	On-Demand	Anodyne	PAPA1_CARPA	27	48
N#Cc1ccc(N2CCN(CC(=O)Nc3cnccn3)CC2)cn1	ZINC000852000027	DC	On-Demand	Mild	SLC27A1	47	37
N#Cc1ccc(N2CCN(Cc3cccc(F)c3OC(F)F)CC2)cn1	ZINC000852000076	FG	On-Demand	Mild	DRD4	20	45
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnon1	ZINC000852000120	DE	On-Demand	Anodyne	FKBP1A	66	46
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnon1	ZINC000852000120	DE	On-Demand	Anodyne	CELA1	19	41
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnon1	ZINC000852000120	DE	On-Demand	Anodyne	CTRA_BOVIN	54	32
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnon1	ZINC000852000120	DE	On-Demand	Anodyne	CTSG	41	32
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnon1	ZINC000852000120	DE	On-Demand	Anodyne	PREP	69	41
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnon1	ZINC000852000120	DE	On-Demand	Anodyne	CELA2A	41	32
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnon1	ZINC000852000121	DE	On-Demand	Anodyne	FKBP1A	66	46
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnon1	ZINC000852000121	DE	On-Demand	Anodyne	CELA1	19	41
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnon1	ZINC000852000121	DE	On-Demand	Anodyne	CTRA_BOVIN	54	32
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnon1	ZINC000852000121	DE	On-Demand	Anodyne	CTSG	41	32
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnon1	ZINC000852000121	DE	On-Demand	Anodyne	PREP	69	41
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnon1	ZINC000852000121	DE	On-Demand	Anodyne	CELA2A	41	32
O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC1SCCS1	ZINC000852000135	EE	On-Demand	Bother	KCNJ1	26	40
O=C(c1cc2ccccc2s1)N1CCN(CCOC(F)F)CC1	ZINC000852000189	EF	On-Demand	Anodyne	SLC6A3	26	49
COC(=O)c1nc(CNC(=O)N[C@H](C)COc2cccc(C)c2)ccc1Cl	ZINC000852000196	GG	On-Demand	Anodyne	PDS	54	39
COC(=O)c1nc(CNC(=O)N[C@@H](C)COc2cccc(C)c2)ccc1Cl	ZINC000852000201	GG	On-Demand	Anodyne	PDS	54	39
N#Cc1ccc(N2CCN(CCCC3CCC3)CC2)cn1	ZINC000852000215	CF	On-Demand	Mild	HTR1A	21	45
N#Cc1ccc(N2CCN(CCCC3CCC3)CC2)cn1	ZINC000852000215	CF	On-Demand	Mild	DRD2	16	45
N#Cc1ccc(N2CCN(CCCC3CCC3)CC2)cn1	ZINC000852000215	CF	On-Demand	Mild	DRD3	16	45
C[C@@H](OC(=O)CNC(=O)COc1ccccc1)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852000222	IG	On-Demand	Anodyne	MTNR1B	17	42
C[C@H](NC(=O)[C@@H](C)OC(=O)CNC(=O)COc1ccccc1)c1ccc2ccccc2c1	ZINC000852000226	IG	On-Demand	Anodyne	MTNR1B	17	42
Cn1cnc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)c1	ZINC000852000227	DF	On-Demand	Anodyne	FKBP1A	71	48
Cn1cnc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)c1	ZINC000852000227	DF	On-Demand	Anodyne	PREP	61	38
Cn1cnc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)c1	ZINC000852000227	DF	On-Demand	Anodyne	SLC12A5	67	37
Cn1cnc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)c1	ZINC000852000228	DF	On-Demand	Anodyne	FKBP1A	71	48
Cn1cnc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)c1	ZINC000852000228	DF	On-Demand	Anodyne	PREP	61	38
Cn1cnc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)c1	ZINC000852000228	DF	On-Demand	Anodyne	SLC12A5	67	37
FC(F)OCCN1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	ZINC000852000230	CE	On-Demand	Anodyne	SLC6A4	19	44
FC(F)OCCN1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	ZINC000852000230	CE	On-Demand	Anodyne	SLC6A3	57	44
FC(F)OCCN1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	ZINC000852000230	CE	On-Demand	Anodyne	SIGMAR1	47	42
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000236	FH	On-Demand	Anodyne	FKBP1A	65	45
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000236	FH	On-Demand	Anodyne	CELA1	19	41
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000236	FH	On-Demand	Anodyne	CPT1A	41	37
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000236	FH	On-Demand	Anodyne	PREP	68	43
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000236	FH	On-Demand	Anodyne	SLC12A5	40	38
O=C(CCNC(=O)NCc1ncccn1)NC1CCCCC1	ZINC000852000244	DD	On-Demand	Anodyne	EPHX2	17	46
COC(=O)c1nc(CNC(=O)N[C@H](C)COc2cccc(F)c2)ccc1Cl	ZINC000852000295	GF	On-Demand	Anodyne	PDS	52	39
COC(=O)c1nc(CNC(=O)N[C@@H](C)COc2cccc(F)c2)ccc1Cl	ZINC000852000296	GF	On-Demand	Anodyne	PDS	52	39
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000305	FH	On-Demand	Anodyne	FKBP1A	65	45
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000305	FH	On-Demand	Anodyne	CELA1	19	41
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000305	FH	On-Demand	Anodyne	CPT1A	41	37
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000305	FH	On-Demand	Anodyne	PREP	68	43
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cnc2ccccc2n1	ZINC000852000305	FH	On-Demand	Anodyne	SLC12A5	40	38
COC(=O)c1ccc2nc(CN3CCN(c4ccc(C#N)nc4)CC3)[nH]c2c1	ZINC000852000308	GD	On-Demand	Mild	DRD4	41	33
COC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCCO1	ZINC000852000325	DC	On-Demand	Anodyne	AMY2	48	33
COC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCCO1	ZINC000852000326	DC	On-Demand	Anodyne	AMY2	48	33
COC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCCO1	ZINC000852000328	DC	On-Demand	Anodyne	AMY2	48	33
COC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)[C@H]1CCCO1	ZINC000852000330	DC	On-Demand	Anodyne	AMY2	48	33
C[C@H](Cc1ccccc1F)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852000380	EE	On-Demand	Anodyne	CALCRL	57	41
C[C@@H](Cc1ccccc1F)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852000382	EE	On-Demand	Anodyne	CALCRL	57	41
N#Cc1ccc(CCN2CCN(c3ccc(C#N)nc3)CC2)cc1	ZINC000852000387	DE	On-Demand	Mild	KCNJ1	54	63
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NC3CCCCC3)C2)cc1	ZINC000852000481	GE	On-Demand	Clean	MTNR1A	23	55
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NC3CCCCC3)C2)cc1	ZINC000852000481	GE	On-Demand	Clean	MTNR1B	18	55
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NC3CCCCC3)C2)cc1	ZINC000852000481	GE	On-Demand	Clean	EPHX2	33	49
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NC3CCCCC3)C2)cc1	ZINC000852000481	GE	On-Demand	Clean	MCHR1	18	46
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000852000514	GD	On-Demand	Mild	GPR119	31	40
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000852000515	GD	On-Demand	Mild	GPR119	31	40
C[C@@H](Cc1ccsc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852000535	FH	On-Demand	Anodyne	PAPA1_CARPA	29	48
C[C@@H](Cc1ccsc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852000535	FH	On-Demand	Anodyne	FPR1	40	34
CCOP(=O)(OCC)[C@H](O)CN1[C@H](C(=O)OC)CC[C@H]1c1ccccc1	ZINC000852000536	GF	On-Demand	Anodyne	ADAM9	69	36
CCOP(=O)(OCC)[C@@H](O)CN1[C@H](C(=O)OC)CC[C@H]1c1ccccc1	ZINC000852000537	GF	On-Demand	Anodyne	ADAM9	69	36
C[C@@H](Cc1ccsc1)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852000540	GJ	On-Demand	Anodyne	PAPA1_CARPA	31	47
C[C@@H](Cc1ccsc1)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852000540	GJ	On-Demand	Anodyne	FPR1	50	34
O=C(CCNC(=O)NNc1ccc(Cl)cn1)NC1CCCCC1	ZINC000852000555	EE	On-Demand	Reactive	CNR1	22	41
O=C(CCNC(=O)NNc1ccc(Cl)cn1)NC1CCCCC1	ZINC000852000555	EE	On-Demand	Reactive	EPHX2	15	43
Cc1nc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)c(C)o1	ZINC000852000572	EG	On-Demand	Anodyne	FKBP1A	66	47
Cc1nc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)c(C)o1	ZINC000852000572	EG	On-Demand	Anodyne	PREP	54	38
Cc1nc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)c(C)o1	ZINC000852000572	EG	On-Demand	Anodyne	PDE8B	52	33
Cc1nc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)c(C)o1	ZINC000852000572	EG	On-Demand	Anodyne	SLC12A5	58	35
Cc1nc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)c(C)o1	ZINC000852000574	EG	On-Demand	Anodyne	FKBP1A	66	47
Cc1nc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)c(C)o1	ZINC000852000574	EG	On-Demand	Anodyne	PREP	54	38
Cc1nc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)c(C)o1	ZINC000852000574	EG	On-Demand	Anodyne	PDE8B	52	33
Cc1nc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)c(C)o1	ZINC000852000574	EG	On-Demand	Anodyne	SLC12A5	58	35
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cc(C2CC2)no1	ZINC000852000582	EH	On-Demand	Anodyne	FKBP1A	68	45
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cc(C2CC2)no1	ZINC000852000582	EH	On-Demand	Anodyne	CPT1A	74	35
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cc(C2CC2)no1	ZINC000852000582	EH	On-Demand	Anodyne	PREP	54	48
O=C(OCc1ccccc1)[C@@H]1CCCCN1Cc1cc(C2CC2)no1	ZINC000852000582	EH	On-Demand	Anodyne	SLC12A5	42	35
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cc(C2CC2)no1	ZINC000852000584	EH	On-Demand	Anodyne	FKBP1A	68	45
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cc(C2CC2)no1	ZINC000852000584	EH	On-Demand	Anodyne	CPT1A	74	35
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cc(C2CC2)no1	ZINC000852000584	EH	On-Demand	Anodyne	PREP	54	48
O=C(OCc1ccccc1)[C@H]1CCCCN1Cc1cc(C2CC2)no1	ZINC000852000584	EH	On-Demand	Anodyne	SLC12A5	42	35
O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCC1SCCS1	ZINC000852000586	EF	On-Demand	Bother	KCNJ1	26	40
O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852000638	FE	On-Demand	Bother	LUXR	16	42
Cc1nc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)co1	ZINC000852000644	DG	On-Demand	Anodyne	FKBP1A	71	50
Cc1nc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)co1	ZINC000852000644	DG	On-Demand	Anodyne	PREP	62	41
Cc1nc(CN2CCCC[C@H]2C(=O)OCc2ccccc2)co1	ZINC000852000644	DG	On-Demand	Anodyne	SLC12A5	59	36
Cc1nc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)co1	ZINC000852000645	DG	On-Demand	Anodyne	FKBP1A	71	50
Cc1nc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)co1	ZINC000852000645	DG	On-Demand	Anodyne	PREP	62	41
Cc1nc(CN2CCCC[C@@H]2C(=O)OCc2ccccc2)co1	ZINC000852000645	DG	On-Demand	Anodyne	SLC12A5	59	36
O=C(OCc1ccccc1)[C@@H]1CCCCN1CC1=NS(=O)(=O)c2ccccc21	ZINC000852000648	GF	On-Demand	Anodyne	FKBP1A	52	45
O=C(OCc1ccccc1)[C@@H]1CCCCN1CC1=NS(=O)(=O)c2ccccc21	ZINC000852000648	GF	On-Demand	Anodyne	PREP	49	40
O=C(OCc1ccccc1)[C@H]1CCCCN1CC1=NS(=O)(=O)c2ccccc21	ZINC000852000649	GF	On-Demand	Anodyne	FKBP1A	52	45
O=C(OCc1ccccc1)[C@H]1CCCCN1CC1=NS(=O)(=O)c2ccccc21	ZINC000852000649	GF	On-Demand	Anodyne	PREP	49	40
O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C=CCC1	ZINC000852000687	CE	On-Demand	Bother	LUXR	17	42
O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C=CCC1	ZINC000852000688	CE	On-Demand	Bother	LUXR	17	42
O=C(NCc1ncccn1)NC[C@H]1CCN(c2ccc(Br)cc2)C1	ZINC000852000753	GF	On-Demand	Anodyne	SIRT3	44	33
O=C(NCc1ncccn1)NC[C@H]1CCN(c2ccc(Br)cc2)C1	ZINC000852000753	GF	On-Demand	Anodyne	SIRT2	42	32
O=C(NCc1ncccn1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1	ZINC000852000754	GF	On-Demand	Anodyne	SIRT3	44	33
O=C(NCc1ncccn1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1	ZINC000852000754	GF	On-Demand	Anodyne	SIRT2	42	32
N#Cc1ccc(N2CCN(CCOCc3ccccc3)CC2)cn1	ZINC000852000786	DE	On-Demand	Mild	HTR1A	28	50
N#Cc1ccc(N2CCN(CCOCc3ccccc3)CC2)cn1	ZINC000852000786	DE	On-Demand	Mild	DRD2	24	46
N#Cc1ccc(N2CCN(CCOCc3ccccc3)CC2)cn1	ZINC000852000786	DE	On-Demand	Mild	DRD4	23	50
N#Cc1ccc(N2CCN(CCOCc3ccccc3)CC2)cn1	ZINC000852000786	DE	On-Demand	Mild	HTR2A	17	46
N#Cc1ccc(N2CCN(CCOCc3ccccc3)CC2)cn1	ZINC000852000786	DE	On-Demand	Mild	DRD3	22	42
N#Cc1ccc(N2CCN(CCOCc3ccccc3)CC2)cn1	ZINC000852000786	DE	On-Demand	Mild	LTA4H	24	42
N#Cc1ccc(N2CCN(CCOCc3ccccc3)CC2)cn1	ZINC000852000786	DE	On-Demand	Mild	SIGMAR1	19	43
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	ACE	20	42
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	SLC6A1	134	42
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	SLC6A3	30	52
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	CTRA_BOVIN	57	34
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	SIGMAR1	23	41
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	CTSB	24	40
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	CTSG	42	33
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	CTSK	28	40
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	CCR3	37	41
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	PREP	29	43
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	CELA2A	43	34
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	CAPN1	27	41
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	CAPN2	54	41
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	TGM2	30	42
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	NPR	63	34
O=C(NC[C@H]1CCCN(CCOC(F)F)C1)OCc1ccccc1	ZINC000852000824	EF	On-Demand	Anodyne	F13A1	16	42
O=C(NC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1)OCc1ccccc1	ZINC000852000842	GH	On-Demand	Anodyne	CCR3	22	49
O=C(NC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1)OCc1ccccc1	ZINC000852000842	GH	On-Demand	Anodyne	PREP	42	41
O=C(NC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1)OCc1ccccc1	ZINC000852000842	GH	On-Demand	Anodyne	TGM2	25	40
O=C(NC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1)OCc1ccccc1	ZINC000852000842	GH	On-Demand	Anodyne	NPR	52	32
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)O1	ZINC000852000901	GC	On-Demand	Reactive	BIRC8	53	34
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)O1	ZINC000852000905	GC	On-Demand	Reactive	BIRC8	53	34
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H](CC(N)=O)c1ccccc1	ZINC000852000987	EC	On-Demand	Anodyne	AMY2	57	33
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H](CC(N)=O)c1ccccc1	ZINC000852000988	EC	On-Demand	Anodyne	AMY2	57	33
COC(=O)[C@@H]1C[C@H](F)CN1Cc1cccc(F)n1	ZINC000852001031	CD	On-Demand	Anodyne	PDE8B	43	33
COCCN(CCF)C(=O)NCC1(c2ccc(F)cc2)CCOCC1	ZINC000852001081	FF	On-Demand	Anodyne	KCNA3	42	37
O=C(NC[C@H]1CCCN(Cc2cc(C3CC3)no2)C1)OCc1ccccc1	ZINC000852001114	FH	On-Demand	Anodyne	CCR3	23	48
O=C(NC[C@H]1CCCN(Cc2cc(C3CC3)no2)C1)OCc1ccccc1	ZINC000852001114	FH	On-Demand	Anodyne	PREP	28	43
O=C(NC[C@H]1CCCN(Cc2cc(C3CC3)no2)C1)OCc1ccccc1	ZINC000852001114	FH	On-Demand	Anodyne	TGM2	19	40
CCOc1cc(N2CCN(C[C@H]3COC(C)(C)O3)CC2)ccc1[N+](=O)[O-]	ZINC000852001118	FE	On-Demand	Bother	ADRA1D	15	40
CCOc1cc(N2CCN(C[C@@H]3COC(C)(C)O3)CC2)ccc1[N+](=O)[O-]	ZINC000852001119	FE	On-Demand	Bother	ADRA1D	15	40
CCOP(=O)(OCC)[C@H](O)CN1CCC(n2c(C)nc3ccccc32)CC1	ZINC000852001122	GH	On-Demand	Anodyne	CCR5	16	47
CCOP(=O)(OCC)[C@H](O)CN1CCC(n2c(C)nc3ccccc32)CC1	ZINC000852001122	GH	On-Demand	Anodyne	PLD1	58	34
CCOP(=O)(OCC)[C@@H](O)CN1CCC(n2c(C)nc3ccccc32)CC1	ZINC000852001123	GH	On-Demand	Anodyne	CCR5	16	47
CCOP(=O)(OCC)[C@@H](O)CN1CCC(n2c(C)nc3ccccc32)CC1	ZINC000852001123	GH	On-Demand	Anodyne	PLD1	58	34
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	SLC6A1	44	32
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	CTRA_BOVIN	53	31
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	CTSG	40	31
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	CTSK	22	40
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	CTSL	20	40
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	PREP	29	41
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	CELA2A	40	31
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	TGM2	26	40
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	NPR	59	34
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001130	FG	On-Demand	Anodyne	PDE8B	67	43
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	SLC6A1	44	32
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	CTRA_BOVIN	53	31
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	CTSG	40	31
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	CTSK	22	40
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	CTSL	20	40
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	PREP	29	41
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	CELA2A	40	31
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	TGM2	26	40
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	NPR	59	34
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(C)o1	ZINC000852001131	FG	On-Demand	Anodyne	PDE8B	67	43
COC(=O)N(C)CCNC(=O)NCCc1ccccc1C(F)(F)F	ZINC000852001137	EE	On-Demand	Anodyne	MTNR1A	26	40
FC1(F)CCN(CCOCc2ccccc2)CC1	ZINC000852001286	CF	On-Demand	Anodyne	SLC6A3	23	41
FC1(F)CCN(CCOCc2ccccc2)CC1	ZINC000852001286	CF	On-Demand	Anodyne	LTA4H	28	47
FC1(F)CCN(CCOCc2ccccc2)CC1	ZINC000852001286	CF	On-Demand	Anodyne	SIGMAR1	56	42
O=C(NC[C@H]1CCCN(CC2(O)CCSCC2)C1)OCc1ccccc1	ZINC000852001321	GF	On-Demand	Anodyne	CTRA_BOVIN	49	30
O=C(NC[C@H]1CCCN(CC2(O)CCSCC2)C1)OCc1ccccc1	ZINC000852001321	GF	On-Demand	Anodyne	CCR3	23	41
O=C(NC[C@H]1CCCN(CC2(O)CCSCC2)C1)OCc1ccccc1	ZINC000852001321	GF	On-Demand	Anodyne	PREP	31	43
O=C(NC[C@H]1CCCN(CC2(O)CCSCC2)C1)OCc1ccccc1	ZINC000852001321	GF	On-Demand	Anodyne	TGM2	26	42
O=C(NC[C@H]1CCCN(CC2(O)CCSCC2)C1)OCc1ccccc1	ZINC000852001321	GF	On-Demand	Anodyne	NPR	55	32
O=C(NC[C@H]1CCCN(CC2(O)CCSCC2)C1)OCc1ccccc1	ZINC000852001321	GF	On-Demand	Anodyne	SLC12A5	57	41
O=C(NC[C@H]1CCCN(Cc2cccc(F)n2)C1)OCc1ccccc1	ZINC000852001332	FG	On-Demand	Anodyne	CTRA_BOVIN	48	30
O=C(NC[C@H]1CCCN(Cc2cccc(F)n2)C1)OCc1ccccc1	ZINC000852001332	FG	On-Demand	Anodyne	CCR3	56	37
O=C(NC[C@H]1CCCN(Cc2cccc(F)n2)C1)OCc1ccccc1	ZINC000852001332	FG	On-Demand	Anodyne	PREP	27	41
O=C(NC[C@H]1CCCN(Cc2cccc(F)n2)C1)OCc1ccccc1	ZINC000852001332	FG	On-Demand	Anodyne	TGM2	22	41
O=C(NC[C@H]1CCCN(Cc2cccc(F)n2)C1)OCc1ccccc1	ZINC000852001332	FG	On-Demand	Anodyne	NPR	46	31
O=C(NC[C@H]1CCCN(Cc2cccc(F)n2)C1)OCc1ccccc1	ZINC000852001332	FG	On-Demand	Anodyne	PDE8B	52	33
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	ACE	17	40
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	SLC6A1	95	35
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	HTR4	41	38
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	CTRA_BOVIN	53	31
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	CTSG	40	31
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	CCR3	28	43
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	PREP	28	41
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	CELA2A	40	31
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	TGM2	26	40
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	NPR	56	32
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	PDE8B	20	40
Cn1cnc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001345	EF	On-Demand	Anodyne	SLC12A5	48	39
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	ACE	17	40
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	SLC6A1	95	35
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	HTR4	41	38
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	CTRA_BOVIN	53	31
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	CTSG	40	31
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	CCR3	28	43
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	PREP	28	41
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	CELA2A	40	31
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	TGM2	26	40
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	NPR	56	32
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	PDE8B	20	40
Cn1cnc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001346	EF	On-Demand	Anodyne	SLC12A5	48	39
O=C1C[C@@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001378	ED	On-Demand	Anodyne	CCR3	46	39
O=C1C[C@@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001378	ED	On-Demand	Anodyne	PREP	24	42
O=C1C[C@@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001378	ED	On-Demand	Anodyne	TGM2	22	41
O=C1C[C@@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001378	ED	On-Demand	Anodyne	NPR	48	32
O=C1C[C@@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001379	ED	On-Demand	Anodyne	CCR3	46	39
O=C1C[C@@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001379	ED	On-Demand	Anodyne	PREP	24	42
O=C1C[C@@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001379	ED	On-Demand	Anodyne	TGM2	22	41
O=C1C[C@@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001379	ED	On-Demand	Anodyne	NPR	48	32
O=C1C[C@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001380	ED	On-Demand	Anodyne	CCR3	46	39
O=C1C[C@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001380	ED	On-Demand	Anodyne	PREP	24	42
O=C1C[C@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001380	ED	On-Demand	Anodyne	TGM2	22	41
O=C1C[C@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001380	ED	On-Demand	Anodyne	NPR	48	32
O=C1C[C@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001381	ED	On-Demand	Anodyne	CCR3	46	39
O=C1C[C@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001381	ED	On-Demand	Anodyne	PREP	24	42
O=C1C[C@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001381	ED	On-Demand	Anodyne	TGM2	22	41
O=C1C[C@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CN1	ZINC000852001381	ED	On-Demand	Anodyne	NPR	48	32
O=C(NC[C@@]1(N2CCOCC2)CCSC1)NNc1ccc(Cl)cn1	ZINC000852001405	FD	On-Demand	Reactive	F10	49	35
O=C(NC[C@]1(N2CCOCC2)CCSC1)NNc1ccc(Cl)cn1	ZINC000852001406	FD	On-Demand	Reactive	F10	49	35
Cn1cc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cn1	ZINC000852001419	EE	On-Demand	Anodyne	ADRB2	26	40
Cn1cc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cn1	ZINC000852001420	EE	On-Demand	Anodyne	ADRB2	26	40
Cn1cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cn1	ZINC000852001431	ED	On-Demand	Clean	STAT6	16	40
CCOP(=O)(OCC)[C@H](O)CN1CCC(c2cccc(Cl)c2)CC1	ZINC000852001471	GI	On-Demand	Anodyne	MCHR1	23	42
CCOP(=O)(OCC)[C@@H](O)CN1CCC(c2cccc(Cl)c2)CC1	ZINC000852001472	GI	On-Demand	Anodyne	MCHR1	23	42
FC(F)OCCN1CCC(c2cccc(Cl)c2)CC1	ZINC000852001478	CH	On-Demand	Anodyne	DRD2	17	50
FC(F)OCCN1CCC(c2cccc(Cl)c2)CC1	ZINC000852001478	CH	On-Demand	Anodyne	SLC6A4	16	42
FC(F)OCCN1CCC(c2cccc(Cl)c2)CC1	ZINC000852001478	CH	On-Demand	Anodyne	SIGMAR1	15	40
FC(F)OCCN1CCC(c2cccc(Cl)c2)CC1	ZINC000852001478	CH	On-Demand	Anodyne	PRCP	17	40
FC(F)OCCN1CCC(c2cccc(Cl)c2)CC1	ZINC000852001478	CH	On-Demand	Anodyne	MCHR1	29	42
NC(=O)[C@](O)(CN1CCC(F)(F)CC1)c1ccccc1	ZINC000852001482	CD	On-Demand	Anodyne	CHRM2	17	43
NC(=O)[C@](O)(CN1CCC(F)(F)CC1)c1ccccc1	ZINC000852001482	CD	On-Demand	Anodyne	CHRM1	20	43
NC(=O)[C@](O)(CN1CCC(F)(F)CC1)c1ccccc1	ZINC000852001482	CD	On-Demand	Anodyne	CHRM3	28	43
NC(=O)[C@@](O)(CN1CCC(F)(F)CC1)c1ccccc1	ZINC000852001483	CD	On-Demand	Anodyne	CHRM2	17	43
NC(=O)[C@@](O)(CN1CCC(F)(F)CC1)c1ccccc1	ZINC000852001483	CD	On-Demand	Anodyne	CHRM1	20	43
NC(=O)[C@@](O)(CN1CCC(F)(F)CC1)c1ccccc1	ZINC000852001483	CD	On-Demand	Anodyne	CHRM3	28	43
O=C(NC[C@H]1CCCN(C[C@@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001518	FE	On-Demand	Anodyne	CTRA_BOVIN	52	31
O=C(NC[C@H]1CCCN(C[C@@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001518	FE	On-Demand	Anodyne	CTSG	40	31
O=C(NC[C@H]1CCCN(C[C@@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001518	FE	On-Demand	Anodyne	PREP	21	40
O=C(NC[C@H]1CCCN(C[C@@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001518	FE	On-Demand	Anodyne	TGM2	20	40
O=C(NC[C@H]1CCCN(C[C@@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001518	FE	On-Demand	Anodyne	NPR	57	32
O=C(NC[C@H]1CCCN(C[C@@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001518	FE	On-Demand	Anodyne	SLC12A5	46	38
O=C(NC[C@H]1CCCN(C[C@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001519	FE	On-Demand	Anodyne	CTRA_BOVIN	52	31
O=C(NC[C@H]1CCCN(C[C@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001519	FE	On-Demand	Anodyne	CTSG	40	31
O=C(NC[C@H]1CCCN(C[C@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001519	FE	On-Demand	Anodyne	PREP	21	40
O=C(NC[C@H]1CCCN(C[C@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001519	FE	On-Demand	Anodyne	TGM2	20	40
O=C(NC[C@H]1CCCN(C[C@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001519	FE	On-Demand	Anodyne	NPR	57	32
O=C(NC[C@H]1CCCN(C[C@]2(O)CCCOC2)C1)OCc1ccccc1	ZINC000852001519	FE	On-Demand	Anodyne	SLC12A5	46	38
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	F2	28	45
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	ACE	27	40
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	CTRA_BOVIN	46	30
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	CTSB	26	40
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	CTSK	27	41
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	CTSL	30	41
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	PREP	31	44
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	CTSS	25	40
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	CAPN1	23	41
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	CAPN2	61	41
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	TGM2	26	41
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	NPR	52	33
CCN1CC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001570	FE	On-Demand	Anodyne	SLC12A5	59	38
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	F2	28	45
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	ACE	27	40
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	CTRA_BOVIN	46	30
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	CTSB	26	40
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	CTSK	27	41
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	CTSL	30	41
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	PREP	31	44
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	CTSS	25	40
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	CAPN1	23	41
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	CAPN2	61	41
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	TGM2	26	41
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	NPR	52	33
CCN1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001571	FE	On-Demand	Anodyne	SLC12A5	59	38
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	F2	28	45
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	ACE	27	40
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	CTRA_BOVIN	46	30
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	CTSB	26	40
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	CTSK	27	41
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	CTSL	30	41
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	PREP	31	44
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	CTSS	25	40
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	CAPN1	23	41
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	CAPN2	61	41
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	TGM2	26	41
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	NPR	52	33
CCN1CC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001572	FE	On-Demand	Anodyne	SLC12A5	59	38
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	F2	28	45
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	ACE	27	40
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	CTRA_BOVIN	46	30
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	CTSB	26	40
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	CTSK	27	41
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	CTSL	30	41
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	PREP	31	44
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	CTSS	25	40
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	CAPN1	23	41
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	CAPN2	61	41
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	TGM2	26	41
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	NPR	52	33
CCN1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852001573	FE	On-Demand	Anodyne	SLC12A5	59	38
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	CHRM2	15	40
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	DRD2	18	46
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	DRD4	28	46
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	ACHE	27	40
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	HRH2	32	42
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	SLC6A1	45	33
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	DRD3	15	46
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	CHRM3	28	40
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	SIGMAR1	31	44
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	CTSB	16	43
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	CTSK	22	43
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	CTSL	25	43
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	CCR3	53	46
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	PREP	35	46
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	TGM2	30	43
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	NPR	56	33
Nc1cccc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001609	FG	On-Demand	Anodyne	F13A1	18	43
O[C@H](CN1CCC(c2cccc(Cl)c2)CC1)c1ccccn1	ZINC000852001640	DH	On-Demand	Anodyne	DRD4	16	46
O[C@H](CN1CCC(c2cccc(Cl)c2)CC1)c1ccccn1	ZINC000852001640	DH	On-Demand	Anodyne	SLC18A3	18	45
O[C@@H](CN1CCC(c2cccc(Cl)c2)CC1)c1ccccn1	ZINC000852001641	DH	On-Demand	Anodyne	DRD4	16	46
O[C@@H](CN1CCC(c2cccc(Cl)c2)CC1)c1ccccn1	ZINC000852001641	DH	On-Demand	Anodyne	SLC18A3	18	45
COc1cccc(SCCN2CCC(F)(F)CC2)c1	ZINC000852001646	CH	On-Demand	Anodyne	DRD4	42	32
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@@H](OCc3ccncc3)C2)C1	ZINC000852001703	GE	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@@H](OCc3ccncc3)C2)C1	ZINC000852001704	GE	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@H](OCc3ccncc3)C2)C1	ZINC000852001705	GE	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@H](OCc3ccncc3)C2)C1	ZINC000852001706	GE	On-Demand	Anodyne	GPR119	32	43
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	CHRM2	15	40
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	DRD2	18	46
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	DRD4	28	46
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	ACHE	27	40
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	HRH2	32	42
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	SLC6A1	45	33
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	DRD3	15	46
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	CHRM3	28	40
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	SIGMAR1	31	44
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	CTSB	16	43
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	CTSK	22	43
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	CTSL	25	43
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	CCR3	53	46
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	PREP	35	46
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	TGM2	30	43
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	NPR	56	33
Nc1cccc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1	ZINC000852001710	FG	On-Demand	Anodyne	F13A1	18	43
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	ACE	19	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	SLC6A1	116	36
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	HTR4	41	38
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CTRA_BOVIN	62	34
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	SIGMAR1	17	45
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CTSB	22	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	TRY1_BOVIN	41	34
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CTSG	43	34
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CTSK	25	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CTSL	30	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CCR3	33	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	PREP	42	40
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CELA2A	51	34
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CAPN1	36	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	CAPN2	51	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	TGM2	36	45
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	NPR	64	35
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	F13A1	25	45
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001762	GH	On-Demand	Anodyne	SLC12A5	56	40
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	ACE	19	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	SLC6A1	116	36
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	HTR4	41	38
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CTRA_BOVIN	62	34
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	SIGMAR1	17	45
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CTSB	22	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	TRY1_BOVIN	41	34
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CTSG	43	34
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CTSK	25	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CTSL	30	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CCR3	33	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	PREP	42	40
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CELA2A	51	34
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CAPN1	36	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	CAPN2	51	41
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	TGM2	36	45
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	NPR	64	35
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	F13A1	25	45
C[C@H]1C[C@@H](C)CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852001764	GH	On-Demand	Anodyne	SLC12A5	56	40
NC(=O)[C@](O)(CN1CCC(c2nc(O)n[nH]2)CC1)c1ccccc1	ZINC000852001779	EC	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CCC(c2nc(O)n[nH]2)CC1)c1ccccc1	ZINC000852001780	EC	On-Demand	Anodyne	CYP2J2	43	30
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	F2	32	41
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	ACE	25	43
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CTRA_BOVIN	64	34
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	KLK3	40	31
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CTSB	49	39
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	TRY1_BOVIN	49	34
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CTSG	43	33
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CTSK	34	40
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CTSL	41	38
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	PREP	32	44
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CAPNS1	57	33
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CELA2A	51	33
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CAPN1	66	47
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	CAPN2	111	47
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	TGM2	32	41
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	NPR	70	38
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	F13A1	18	41
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	SLC12A5	42	38
CC[C@@H](CC(F)F)CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001785	FI	On-Demand	Anodyne	TMPRSS11D	50	36
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	F2	32	41
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	ACE	25	43
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CTRA_BOVIN	64	34
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	KLK3	40	31
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CTSB	49	39
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	TRY1_BOVIN	49	34
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CTSG	43	33
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CTSK	34	40
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CTSL	41	38
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	PREP	32	44
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CAPNS1	57	33
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CELA2A	51	33
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CAPN1	66	47
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	CAPN2	111	47
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	TGM2	32	41
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	NPR	70	38
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	F13A1	18	41
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	SLC12A5	42	38
CC[C@@H](CC(F)F)CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001787	FI	On-Demand	Anodyne	TMPRSS11D	50	36
O=C1CC[C@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001788	EE	On-Demand	Anodyne	CTRA_BOVIN	49	30
O=C1CC[C@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001788	EE	On-Demand	Anodyne	TGM2	22	41
O=C1CC[C@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001788	EE	On-Demand	Anodyne	NPR	51	32
O=C1CC[C@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001789	EE	On-Demand	Anodyne	CTRA_BOVIN	49	30
O=C1CC[C@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001789	EE	On-Demand	Anodyne	TGM2	22	41
O=C1CC[C@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001789	EE	On-Demand	Anodyne	NPR	51	32
O=C1CC[C@@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001790	EE	On-Demand	Anodyne	CTRA_BOVIN	49	30
O=C1CC[C@@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001790	EE	On-Demand	Anodyne	TGM2	22	41
O=C1CC[C@@H](CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001790	EE	On-Demand	Anodyne	NPR	51	32
O=C1CC[C@@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001791	EE	On-Demand	Anodyne	CTRA_BOVIN	49	30
O=C1CC[C@@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001791	EE	On-Demand	Anodyne	TGM2	22	41
O=C1CC[C@@H](CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)O1	ZINC000852001791	EE	On-Demand	Anodyne	NPR	51	32
C#CCOCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001797	EE	On-Demand	Mild	SLC6A1	138	45
C#CCOCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001797	EE	On-Demand	Mild	CTRA_BOVIN	40	30
C#CCOCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001797	EE	On-Demand	Mild	CTSK	19	41
C#CCOCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001797	EE	On-Demand	Mild	CTSL	20	41
C#CCOCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001797	EE	On-Demand	Mild	PREP	30	44
C#CCOCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001797	EE	On-Demand	Mild	TGM2	28	41
C#CCOCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001797	EE	On-Demand	Mild	NPR	49	32
C#CCOCCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001797	EE	On-Demand	Mild	F13A1	16	41
C#CCOCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001798	EE	On-Demand	Mild	SLC6A1	138	45
C#CCOCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001798	EE	On-Demand	Mild	CTRA_BOVIN	40	30
C#CCOCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001798	EE	On-Demand	Mild	CTSK	19	41
C#CCOCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001798	EE	On-Demand	Mild	CTSL	20	41
C#CCOCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001798	EE	On-Demand	Mild	PREP	30	44
C#CCOCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001798	EE	On-Demand	Mild	TGM2	28	41
C#CCOCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001798	EE	On-Demand	Mild	NPR	49	32
C#CCOCCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852001798	EE	On-Demand	Mild	F13A1	16	41
FC1(F)CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852001866	CH	On-Demand	Anodyne	SIGMAR1	42	55
FC1(F)CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852001866	CH	On-Demand	Anodyne	EBP	35	55
FC1(F)CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852001867	CH	On-Demand	Anodyne	SIGMAR1	42	55
FC1(F)CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852001867	CH	On-Demand	Anodyne	EBP	35	55
C[C@@H]1CN(CCN2CCC(F)(F)CC2)C[C@@H](C)O1	ZINC000852001903	CD	On-Demand	Anodyne	ERG2	19	46
C[C@@H]1CN(CCN2CCC(F)(F)CC2)C[C@@H](C)O1	ZINC000852001903	CD	On-Demand	Anodyne	Q2TU57_MAIZE	21	46
CC(=O)c1[nH]c(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001922	GG	On-Demand	Anodyne	SLC6A1	56	34
CC(=O)c1[nH]c(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001922	GG	On-Demand	Anodyne	CTRA_BOVIN	55	32
CC(=O)c1[nH]c(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001922	GG	On-Demand	Anodyne	CTSG	40	31
CC(=O)c1[nH]c(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001922	GG	On-Demand	Anodyne	CCR3	67	42
CC(=O)c1[nH]c(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001922	GG	On-Demand	Anodyne	CELA2A	41	31
CC(=O)c1[nH]c(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001924	GG	On-Demand	Anodyne	SLC6A1	56	34
CC(=O)c1[nH]c(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001924	GG	On-Demand	Anodyne	CTRA_BOVIN	55	32
CC(=O)c1[nH]c(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001924	GG	On-Demand	Anodyne	CTSG	40	31
CC(=O)c1[nH]c(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001924	GG	On-Demand	Anodyne	CCR3	67	42
CC(=O)c1[nH]c(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)nc1C	ZINC000852001924	GG	On-Demand	Anodyne	CELA2A	41	31
C[C@H](CCc1ccc(Br)cc1)NC(=O)NCc1ncccn1	ZINC000852001929	FG	On-Demand	Anodyne	ANPEP	25	40
C[C@@H](CCc1ccc(Br)cc1)NC(=O)NCc1ncccn1	ZINC000852001930	FG	On-Demand	Anodyne	ANPEP	25	40
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	F2	26	41
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	ACE	22	43
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	GRIN2B	21	40
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	CTRA_BOVIN	52	31
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	CTSB	26	43
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	CTSK	28	43
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	CTSL	35	43
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	SLC18A3	44	45
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	PREP	45	40
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	CELA2A	40	31
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	CAPN1	29	41
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	CAPN2	51	41
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	TGM2	32	46
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	NPR	54	33
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	F13A1	21	46
O=C(NC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1)OCc1ccccc1	ZINC000852001933	EF	On-Demand	Anodyne	SLC12A5	49	38
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001948	GG	On-Demand	Anodyne	DRD2	15	44
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001948	GG	On-Demand	Anodyne	DRD4	18	44
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001948	GG	On-Demand	Anodyne	CTRA_BOVIN	41	30
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001948	GG	On-Demand	Anodyne	CCR3	28	45
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001948	GG	On-Demand	Anodyne	PREP	27	40
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001948	GG	On-Demand	Anodyne	TGM2	25	41
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001948	GG	On-Demand	Anodyne	NPR	57	32
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001949	GG	On-Demand	Anodyne	DRD2	15	44
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001949	GG	On-Demand	Anodyne	DRD4	18	44
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001949	GG	On-Demand	Anodyne	CTRA_BOVIN	41	30
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001949	GG	On-Demand	Anodyne	CCR3	28	45
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001949	GG	On-Demand	Anodyne	PREP	27	40
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001949	GG	On-Demand	Anodyne	TGM2	25	41
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)sn1	ZINC000852001949	GG	On-Demand	Anodyne	NPR	57	32
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	F2	22	40
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	ACE	20	40
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	CTRA_BOVIN	55	33
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	CTSG	41	33
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	PREP	32	43
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	CELA2A	42	33
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	CAPN1	30	42
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	CAPN2	67	42
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	TGM2	28	42
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	NPR	58	34
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	F13A1	18	42
CO[C@@H]1CC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002001	EG	On-Demand	Anodyne	SLC12A5	40	37
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	F2	22	40
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	ACE	20	40
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	CTRA_BOVIN	55	33
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	CTSG	41	33
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	PREP	32	43
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	CELA2A	42	33
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	CAPN1	30	42
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	CAPN2	67	42
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	TGM2	28	42
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	NPR	58	34
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	F13A1	18	42
CO[C@@H]1CC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1	ZINC000852002002	EG	On-Demand	Anodyne	SLC12A5	40	37
CO[C@@H]1CC[C@@H](N2CCC(n3c(C)nc4ccccc43)CC2)C1	ZINC000852002008	DH	On-Demand	Anodyne	CCR5	17	41
CO[C@@H]1CC[C@@H](N2CCC(n3c(C)nc4ccccc43)CC2)C1	ZINC000852002008	DH	On-Demand	Anodyne	RPS6KB1	25	44
NC(=O)[C@](O)(CN1CC[C@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002014	ED	On-Demand	Anodyne	CHRM2	16	44
NC(=O)[C@](O)(CN1CC[C@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002014	ED	On-Demand	Anodyne	CHRM3	30	44
NC(=O)[C@](O)(CN1CC[C@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002014	ED	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002015	ED	On-Demand	Anodyne	CHRM2	16	44
NC(=O)[C@@](O)(CN1CC[C@@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002015	ED	On-Demand	Anodyne	CHRM3	30	44
NC(=O)[C@@](O)(CN1CC[C@@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002015	ED	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002016	ED	On-Demand	Anodyne	CHRM2	16	44
NC(=O)[C@](O)(CN1CC[C@@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002016	ED	On-Demand	Anodyne	CHRM3	30	44
NC(=O)[C@](O)(CN1CC[C@@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002016	ED	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002017	ED	On-Demand	Anodyne	CHRM2	16	44
NC(=O)[C@@](O)(CN1CC[C@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002017	ED	On-Demand	Anodyne	CHRM3	30	44
NC(=O)[C@@](O)(CN1CC[C@H](OCc2ccncc2)C1)c1ccccc1	ZINC000852002017	ED	On-Demand	Anodyne	CYP2J2	44	31
FC1(F)CCN(CCc2nsc3ccccc23)CC1	ZINC000852002071	CH	On-Demand	Anodyne	HTR1A	18	40
FC1(F)CCN(CCc2nsc3ccccc23)CC1	ZINC000852002071	CH	On-Demand	Anodyne	DRD2	23	41
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	SLC6A1	108	35
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	HTR4	45	40
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CTRA_BOVIN	56	33
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CTSB	21	40
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CTSG	42	33
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CTSK	25	40
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CTSL	30	40
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CCR3	30	40
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	PREP	35	43
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CELA2A	43	33
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CAPN1	27	41
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	CAPN2	48	41
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	TGM2	33	44
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	NPR	63	34
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	F13A1	21	44
C[C@@H]1CN(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002133	GF	On-Demand	Anodyne	SLC12A5	52	39
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	SLC6A1	108	35
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	HTR4	45	40
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CTRA_BOVIN	56	33
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CTSB	21	40
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CTSG	42	33
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CTSK	25	40
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CTSL	30	40
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CCR3	30	40
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	PREP	35	43
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CELA2A	43	33
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CAPN1	27	41
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	CAPN2	48	41
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	TGM2	33	44
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	NPR	63	34
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	F13A1	21	44
C[C@@H]1CN(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[C@@H](C)O1	ZINC000852002134	GF	On-Demand	Anodyne	SLC12A5	52	39
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	F2	29	42
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	ACE	25	44
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	GRIN2B	25	40
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CTRA_BOVIN	53	31
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CTSB	28	44
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CTSG	40	31
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CTSK	30	44
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CTSL	37	40
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	SLC18A3	46	46
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	PREP	45	41
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CELA2A	40	31
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CTSS	22	40
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CAPN1	35	42
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	CAPN2	57	42
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	TGM2	34	46
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	NPR	59	33
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	F13A1	23	46
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)OCc1ccccc1	ZINC000852002137	EF	On-Demand	Anodyne	SLC12A5	53	38
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	ACE	17	42
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CHRM4	15	48
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CTRA_BOVIN	54	32
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CTSB	20	42
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CTSG	40	32
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CTSK	24	42
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CTSL	31	42
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	PREP	37	45
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CELA2A	41	32
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CAPN1	17	40
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	CAPN2	43	40
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	TGM2	36	46
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	NPR	60	34
O=C(NC[C@H]1CCCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1)OCc1ccccc1	ZINC000852002142	EH	On-Demand	Anodyne	F13A1	25	46
C#CCOCCN1CCN(c2ccncc2OC)CC1	ZINC000852002174	CC	On-Demand	Mild	HTR1A	91	47
C#CCOCCN1CCN(c2ccncc2OC)CC1	ZINC000852002174	CC	On-Demand	Mild	DRD2	64	47
C#CCOCCN1CCN(c2ccncc2OC)CC1	ZINC000852002174	CC	On-Demand	Mild	DRD4	38	43
C#CCOCCN1CCN(c2ccncc2OC)CC1	ZINC000852002174	CC	On-Demand	Mild	ADRA1D	55	43
C#CCOCCN1CCN(c2ccncc2OC)CC1	ZINC000852002174	CC	On-Demand	Mild	ADRA1A	53	43
C#CCOCCN1CCN(c2ccncc2OC)CC1	ZINC000852002174	CC	On-Demand	Mild	ADRA1B	43	41
C#CCOCCN1CCN(c2ccncc2OC)CC1	ZINC000852002174	CC	On-Demand	Mild	DRD3	70	46
C#CCOCCN1CCN(c2ccncc2OC)CC1	ZINC000852002174	CC	On-Demand	Mild	HTR7	55	44
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002206	EG	On-Demand	Anodyne	SLC6A1	44	32
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002206	EG	On-Demand	Anodyne	CTRA_BOVIN	52	31
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002206	EG	On-Demand	Anodyne	CCR3	35	40
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002206	EG	On-Demand	Anodyne	PREP	31	41
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002206	EG	On-Demand	Anodyne	CELA2A	40	31
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002206	EG	On-Demand	Anodyne	TGM2	26	40
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002206	EG	On-Demand	Anodyne	NPR	58	32
Cc1nc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002206	EG	On-Demand	Anodyne	PDE8B	49	34
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002208	EG	On-Demand	Anodyne	SLC6A1	44	32
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002208	EG	On-Demand	Anodyne	CTRA_BOVIN	52	31
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002208	EG	On-Demand	Anodyne	CCR3	35	40
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002208	EG	On-Demand	Anodyne	PREP	31	41
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002208	EG	On-Demand	Anodyne	CELA2A	40	31
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002208	EG	On-Demand	Anodyne	TGM2	26	40
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002208	EG	On-Demand	Anodyne	NPR	58	32
Cc1nc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1	ZINC000852002208	EG	On-Demand	Anodyne	PDE8B	49	34
C[C@@H](NC(=O)N1CCO[C@](C)(C(F)F)C1)c1ccccc1C(F)(F)F	ZINC000852002224	FH	On-Demand	Anodyne	RBP4	57	37
C[C@@H](NC(=O)N1CCO[C@@](C)(C(F)F)C1)c1ccccc1C(F)(F)F	ZINC000852002228	FH	On-Demand	Anodyne	RBP4	57	37
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	ACE	15	42
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	SLC6A1	94	38
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	CHRM4	15	48
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	GRIN2B	21	40
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	CTRA_BOVIN	49	30
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	CTSB	22	43
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	CTSK	26	43
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	CCR3	48	38
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	PREP	40	40
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	CAPN1	21	41
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	CAPN2	43	41
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	TGM2	33	45
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	NPR	63	34
O=C(NC[C@H]1CCCN(CC2CC=CC2)C1)OCc1ccccc1	ZINC000852002234	EH	On-Demand	Anodyne	F13A1	21	45
COc1cnccc1N1CCN(CC[C@H]2COC(C)(C)O2)CC1	ZINC000852002297	DD	On-Demand	Anodyne	HTR1A	73	48
COc1cnccc1N1CCN(CC[C@H]2COC(C)(C)O2)CC1	ZINC000852002297	DD	On-Demand	Anodyne	DRD2	43	42
COc1cnccc1N1CCN(CC[C@H]2COC(C)(C)O2)CC1	ZINC000852002297	DD	On-Demand	Anodyne	ADRA1D	49	46
COc1cnccc1N1CCN(CC[C@H]2COC(C)(C)O2)CC1	ZINC000852002297	DD	On-Demand	Anodyne	HTR2A	15	40
COc1cnccc1N1CCN(CC[C@H]2COC(C)(C)O2)CC1	ZINC000852002297	DD	On-Demand	Anodyne	ADRA1A	45	48
COc1cnccc1N1CCN(CC[C@H]2COC(C)(C)O2)CC1	ZINC000852002297	DD	On-Demand	Anodyne	ADRA1B	37	48
COc1cnccc1N1CCN(CC[C@H]2COC(C)(C)O2)CC1	ZINC000852002297	DD	On-Demand	Anodyne	DRD3	43	40
COc1cnccc1N1CCN(CC[C@@H]2COC(C)(C)O2)CC1	ZINC000852002298	DD	On-Demand	Anodyne	HTR1A	73	48
COc1cnccc1N1CCN(CC[C@@H]2COC(C)(C)O2)CC1	ZINC000852002298	DD	On-Demand	Anodyne	DRD2	43	42
COc1cnccc1N1CCN(CC[C@@H]2COC(C)(C)O2)CC1	ZINC000852002298	DD	On-Demand	Anodyne	ADRA1D	49	46
COc1cnccc1N1CCN(CC[C@@H]2COC(C)(C)O2)CC1	ZINC000852002298	DD	On-Demand	Anodyne	HTR2A	15	40
COc1cnccc1N1CCN(CC[C@@H]2COC(C)(C)O2)CC1	ZINC000852002298	DD	On-Demand	Anodyne	ADRA1A	45	48
COc1cnccc1N1CCN(CC[C@@H]2COC(C)(C)O2)CC1	ZINC000852002298	DD	On-Demand	Anodyne	ADRA1B	37	48
COc1cnccc1N1CCN(CC[C@@H]2COC(C)(C)O2)CC1	ZINC000852002298	DD	On-Demand	Anodyne	DRD3	43	40
CN(C[C@@H](O)c1ccccn1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	ZINC000852002322	ED	On-Demand	Anodyne	GPR119	30	43
C#C[C@H](NC(=O)NCc1ccccc1-n1ccnc1)C1CCOCC1	ZINC000852002328	EE	On-Demand	Mild	NOS2	47	32
C#C[C@@H](NC(=O)NCc1ccccc1-n1ccnc1)C1CCOCC1	ZINC000852002329	EE	On-Demand	Mild	NOS2	47	32
C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1C(F)(F)F	ZINC000852002330	FI	On-Demand	Anodyne	RBP4	90	41
C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1C(F)(F)F	ZINC000852002330	FI	On-Demand	Anodyne	SFRP1	84	33
C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1C(F)(F)F	ZINC000852002330	FI	On-Demand	Anodyne	SMO	36	45
C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1C(F)(F)F	ZINC000852002330	FI	On-Demand	Anodyne	WNT3	64	33
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	ZINC000852002341	GC	On-Demand	Anodyne	AMY2	59	34
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2C(F)(F)F)C1	ZINC000852002347	EH	On-Demand	Anodyne	TIMP3	40	33
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccccc2C(F)(F)F)C1	ZINC000852002348	EH	On-Demand	Anodyne	TIMP3	40	33
Cn1cc(CNC(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)cn1	ZINC000852002365	GG	On-Demand	Anodyne	PANC	41	32
Cn1cc(CNC(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)cn1	ZINC000852002367	GG	On-Demand	Anodyne	PANC	41	32
O=C(N[C@H]1CCc2c(F)cccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852002379	EE	On-Demand	Anodyne	CALCRL	43	39
O=C(N[C@@H]1CCc2c(F)cccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852002381	EE	On-Demand	Anodyne	CALCRL	43	39
O=C(N[C@H]1CCc2c(F)cccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852002383	EE	On-Demand	Anodyne	CALCRL	43	39
O=C(N[C@@H]1CCc2c(F)cccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852002385	EE	On-Demand	Anodyne	CALCRL	43	39
CC(C)c1cccc(CN2CCC(F)(F)CC2)c1	ZINC000852002423	CI	On-Demand	Anodyne	SLC6A3	15	40
CC(C)c1cccc(CN2CCC(F)(F)CC2)c1	ZINC000852002423	CI	On-Demand	Anodyne	SIGMAR1	45	40
CC(C)c1cccc(CN2CCC(F)(F)CC2)c1	ZINC000852002423	CI	On-Demand	Anodyne	MCHR2	57	33
C[C@@H](CNC(=O)N1CCC(N2CCOC2=O)CC1)COCc1ccccc1	ZINC000852002449	GE	On-Demand	Anodyne	CTSS	22	40
C[C@H](CNC(=O)N1CCC(N2CCOC2=O)CC1)COCc1ccccc1	ZINC000852002451	GE	On-Demand	Anodyne	CTSS	22	40
C[C@H](NC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1)c1ccccc1C(F)(F)F	ZINC000852002457	GI	On-Demand	Anodyne	RBP4	60	38
C[C@H](NC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1)c1ccccc1C(F)(F)F	ZINC000852002460	GI	On-Demand	Anodyne	RBP4	60	38
C[C@@H](NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1)c1ccccc1C(F)(F)F	ZINC000852002462	GI	On-Demand	Anodyne	RBP4	60	38
C[C@H](NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1)c1ccccc1C(F)(F)F	ZINC000852002465	GI	On-Demand	Anodyne	RBP4	60	38
COC(=O)N(C)CCNC(=O)NC[C@H](C)COCc1ccccc1	ZINC000852002487	ED	On-Demand	Anodyne	NPR	47	34
COC(=O)N(C)CCNC(=O)NC[C@@H](C)COCc1ccccc1	ZINC000852002488	ED	On-Demand	Anodyne	NPR	47	34
O=C(NCCc1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852002541	GF	On-Demand	Anodyne	RBP4	50	36
CC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852002551	GG	On-Demand	Anodyne	EPHX2	29	41
CC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852002551	GG	On-Demand	Anodyne	SFRP1	51	33
CC(C)(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852002551	GG	On-Demand	Anodyne	WNT3	41	33
NC(=O)[C@@](O)(CN(CC1CCC1)CC1CC1)c1ccccc1	ZINC000852002563	DD	On-Demand	Anodyne	CHRM2	17	40
NC(=O)[C@@](O)(CN(CC1CCC1)CC1CC1)c1ccccc1	ZINC000852002563	DD	On-Demand	Anodyne	CHRM1	19	40
NC(=O)[C@@](O)(CN(CC1CCC1)CC1CC1)c1ccccc1	ZINC000852002563	DD	On-Demand	Anodyne	CHRM3	29	40
NC(=O)[C@@](O)(CN(CC1CCC1)CC1CC1)c1ccccc1	ZINC000852002563	DD	On-Demand	Anodyne	AMY2	58	34
NC(=O)[C@](O)(CN(CC1CCC1)CC1CC1)c1ccccc1	ZINC000852002564	DD	On-Demand	Anodyne	CHRM2	17	40
NC(=O)[C@](O)(CN(CC1CCC1)CC1CC1)c1ccccc1	ZINC000852002564	DD	On-Demand	Anodyne	CHRM1	19	40
NC(=O)[C@](O)(CN(CC1CCC1)CC1CC1)c1ccccc1	ZINC000852002564	DD	On-Demand	Anodyne	CHRM3	29	40
NC(=O)[C@](O)(CN(CC1CCC1)CC1CC1)c1ccccc1	ZINC000852002564	DD	On-Demand	Anodyne	AMY2	58	34
COc1cnccc1N1CCN([C@H]2CC[C@H](OC)C2)CC1	ZINC000852002573	CD	On-Demand	Anodyne	ADRA1D	23	44
COc1cnccc1N1CCN([C@H]2CC[C@H](OC)C2)CC1	ZINC000852002573	CD	On-Demand	Anodyne	ADRA1A	18	44
COc1cnccc1N1CCN([C@H]2CC[C@H](OC)C2)CC1	ZINC000852002573	CD	On-Demand	Anodyne	ADRA1B	19	44
COc1cnccc1N1CCN([C@@H]2CC[C@H](OC)C2)CC1	ZINC000852002574	CD	On-Demand	Anodyne	ADRA1D	23	44
COc1cnccc1N1CCN([C@@H]2CC[C@H](OC)C2)CC1	ZINC000852002574	CD	On-Demand	Anodyne	ADRA1A	18	44
COc1cnccc1N1CCN([C@@H]2CC[C@H](OC)C2)CC1	ZINC000852002574	CD	On-Demand	Anodyne	ADRA1B	19	44
COc1cnccc1N1CCN([C@H]2CC[C@@H](OC)C2)CC1	ZINC000852002575	CD	On-Demand	Anodyne	ADRA1D	23	44
COc1cnccc1N1CCN([C@H]2CC[C@@H](OC)C2)CC1	ZINC000852002575	CD	On-Demand	Anodyne	ADRA1A	18	44
COc1cnccc1N1CCN([C@H]2CC[C@@H](OC)C2)CC1	ZINC000852002575	CD	On-Demand	Anodyne	ADRA1B	19	44
COc1cnccc1N1CCN([C@@H]2CC[C@@H](OC)C2)CC1	ZINC000852002576	CD	On-Demand	Anodyne	ADRA1D	23	44
COc1cnccc1N1CCN([C@@H]2CC[C@@H](OC)C2)CC1	ZINC000852002576	CD	On-Demand	Anodyne	ADRA1A	18	44
COc1cnccc1N1CCN([C@@H]2CC[C@@H](OC)C2)CC1	ZINC000852002576	CD	On-Demand	Anodyne	ADRA1B	19	44
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	HTR1A	87	44
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	DRD2	65	45
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	DRD4	53	45
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	ADRA1D	55	45
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	HTR2A	20	44
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	ADRA1A	52	45
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	ADRA1B	41	45
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	DRD3	67	45
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	HTR7	51	42
COc1cnccc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852002578	DD	On-Demand	Anodyne	ABCB1	46	37
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	HTR1A	87	44
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	DRD2	65	45
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	DRD4	53	45
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	ADRA1D	55	45
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	HTR2A	20	44
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	ADRA1A	52	45
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	ADRA1B	41	45
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	DRD3	67	45
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	HTR7	51	42
COc1cnccc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852002580	DD	On-Demand	Anodyne	ABCB1	46	37
COC(=O)N(C)CCNC(=O)N[C@H](C)COc1ccccc1C(F)(F)F	ZINC000852002606	GE	On-Demand	Anodyne	RBP4	16	41
COC(=O)N(C)CCNC(=O)N[C@@H](C)COc1ccccc1C(F)(F)F	ZINC000852002608	GE	On-Demand	Anodyne	RBP4	16	41
CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cnc4ccccc4n3)C[C@@H]2C1	ZINC000852002725	FF	On-Demand	Anodyne	GPR119	34	40
CNS(=O)(=O)c1ccc(CN(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1	ZINC000852002746	GD	On-Demand	Anodyne	GPR119	48	46
CNS(=O)(=O)c1ccc(CN(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1	ZINC000852002746	GD	On-Demand	Anodyne	LIMK2	16	43
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccccc2-n2ccnc2)O1	ZINC000852002750	FC	On-Demand	Reactive	NOS2	87	34
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccccc2-n2ccnc2)O1	ZINC000852002751	FC	On-Demand	Reactive	NOS2	87	34
CC(C)(C)OC(=O)N1CCO[C@@H](CN(CCCO)Cc2ccccn2)C1	ZINC000852002785	FD	On-Demand	Anodyne	GPR119	16	40
CC(C)(C)OC(=O)N1CCO[C@H](CN(CCCO)Cc2ccccn2)C1	ZINC000852002786	FD	On-Demand	Anodyne	GPR119	16	40
O=C(NCc1ccccc1-n1ccnc1)NCC1SCCS1	ZINC000852002787	EE	On-Demand	Anodyne	NOS2	47	31
O=C(N[C@H]1CCc2c(F)cccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852002790	EE	On-Demand	Anodyne	CALCRL	45	40
O=C(N[C@@H]1CCc2c(F)cccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852002791	EE	On-Demand	Anodyne	CALCRL	45	40
CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cccc(N)c3)C[C@@H]2C1	ZINC000852002796	DF	On-Demand	Anodyne	GPR119	34	43
CNS(=O)(=O)c1ccc(CN2CCC(F)(F)CC2)cc1	ZINC000852002811	DD	On-Demand	Anodyne	MMP13	18	44
CN(CCOC(F)F)[C@H](CC(N)=O)c1ccccc1	ZINC000852002823	CD	On-Demand	Anodyne	AMY2	56	33
CN(CCOC(F)F)[C@@H](CC(N)=O)c1ccccc1	ZINC000852002824	CD	On-Demand	Anodyne	AMY2	56	33
COC(=O)[C@@]12CCOC[C@@H]1CN([C@H]1CCN(Cc3ccc(OC)cc3)C1=O)C2	ZINC000852002842	GD	On-Demand	Anodyne	MMP1	15	40
COC(=O)[C@@]12CCOC[C@@H]1CN([C@@H]1CCN(Cc3ccc(OC)cc3)C1=O)C2	ZINC000852002843	GD	On-Demand	Anodyne	MMP1	15	40
NC(=O)[C@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002857	FF	On-Demand	Anodyne	DRD4	19	44
NC(=O)[C@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002857	FF	On-Demand	Anodyne	SIGMAR1	21	41
NC(=O)[C@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002857	FF	On-Demand	Anodyne	PRCP	18	40
NC(=O)[C@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002857	FF	On-Demand	Anodyne	CCR5	25	45
NC(=O)[C@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002857	FF	On-Demand	Anodyne	MCHR1	32	43
NC(=O)[C@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002857	FF	On-Demand	Anodyne	MDM2	49	32
NC(=O)[C@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002857	FF	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002858	FF	On-Demand	Anodyne	DRD4	19	44
NC(=O)[C@@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002858	FF	On-Demand	Anodyne	SIGMAR1	21	41
NC(=O)[C@@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002858	FF	On-Demand	Anodyne	PRCP	18	40
NC(=O)[C@@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002858	FF	On-Demand	Anodyne	CCR5	25	45
NC(=O)[C@@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002858	FF	On-Demand	Anodyne	MCHR1	32	43
NC(=O)[C@@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002858	FF	On-Demand	Anodyne	MDM2	49	32
NC(=O)[C@@](O)(CN1CCC(c2cccc(Cl)c2)CC1)c1ccccc1	ZINC000852002858	FF	On-Demand	Anodyne	CYP2J2	44	31
O=C(NCc1ncccn1)NCC1(c2ccc(F)cc2)CCCCC1	ZINC000852002870	EG	On-Demand	Anodyne	NMBR	74	35
COc1cnccc1N1CCN(CCOC(F)F)CC1	ZINC000852002926	CD	On-Demand	Anodyne	HTR1A	85	45
COc1cnccc1N1CCN(CCOC(F)F)CC1	ZINC000852002926	CD	On-Demand	Anodyne	DRD2	63	45
COc1cnccc1N1CCN(CCOC(F)F)CC1	ZINC000852002926	CD	On-Demand	Anodyne	DRD4	38	41
COc1cnccc1N1CCN(CCOC(F)F)CC1	ZINC000852002926	CD	On-Demand	Anodyne	ADRA1D	44	41
COc1cnccc1N1CCN(CCOC(F)F)CC1	ZINC000852002926	CD	On-Demand	Anodyne	ADRA1A	43	41
COc1cnccc1N1CCN(CCOC(F)F)CC1	ZINC000852002926	CD	On-Demand	Anodyne	DRD3	64	45
COc1cnccc1N1CCN(CCOC(F)F)CC1	ZINC000852002926	CD	On-Demand	Anodyne	HTR7	50	42
COc1cnccc1N1CCN(CC=C(Cl)Cl)CC1	ZINC000852002949	DF	On-Demand	Anodyne	HTR1A	68	44
COc1cnccc1N1CCN(CC=C(Cl)Cl)CC1	ZINC000852002949	DF	On-Demand	Anodyne	DRD2	49	42
COc1cnccc1N1CCN(CC=C(Cl)Cl)CC1	ZINC000852002949	DF	On-Demand	Anodyne	DRD4	31	40
COc1cnccc1N1CCN(CC=C(Cl)Cl)CC1	ZINC000852002949	DF	On-Demand	Anodyne	ADRA1D	41	40
COc1cnccc1N1CCN(CC=C(Cl)Cl)CC1	ZINC000852002949	DF	On-Demand	Anodyne	ADRA1A	39	40
COc1cnccc1N1CCN(CC=C(Cl)Cl)CC1	ZINC000852002949	DF	On-Demand	Anodyne	DRD3	54	40
COc1cnccc1N1CCN(CC=C(Cl)Cl)CC1	ZINC000852002949	DF	On-Demand	Anodyne	HTR7	46	44
COc1cnccc1N1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002989	GD	On-Demand	Anodyne	HTR1A	46	41
COc1cnccc1N1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002989	GD	On-Demand	Anodyne	ADRA1D	39	41
COc1cnccc1N1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002989	GD	On-Demand	Anodyne	ADRA1A	34	41
COc1cnccc1N1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002989	GD	On-Demand	Anodyne	ADRA1B	29	41
COc1cnccc1N1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002989	GD	On-Demand	Anodyne	GPR119	24	48
COc1cnccc1N1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002990	GD	On-Demand	Anodyne	HTR1A	46	41
COc1cnccc1N1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002990	GD	On-Demand	Anodyne	ADRA1D	39	41
COc1cnccc1N1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002990	GD	On-Demand	Anodyne	ADRA1A	34	41
COc1cnccc1N1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002990	GD	On-Demand	Anodyne	ADRA1B	29	41
COc1cnccc1N1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852002990	GD	On-Demand	Anodyne	GPR119	24	48
COC(=O)c1ccc2nc(CN(CCO)Cc3cccnc3Cl)[nH]c2c1	ZINC000852003002	FE	On-Demand	Anodyne	CXCR4	31	46
C[C@@H]1CN(CCN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C[C@@H](C)O1	ZINC000852003026	FD	On-Demand	Anodyne	ERG2	17	40
C[C@@H]1CN(CCN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C[C@@H](C)O1	ZINC000852003026	FD	On-Demand	Anodyne	Q2TU57_MAIZE	18	40
O=C(NCc1ccccc1-n1ccnc1)N1CCC(N2CCOC2=O)CC1	ZINC000852003028	FD	On-Demand	Anodyne	NOS2	98	39
C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1C(F)(F)F	ZINC000852003050	EH	On-Demand	Mild	RBP4	57	37
C[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1C(F)(F)F	ZINC000852003051	EH	On-Demand	Mild	RBP4	57	37
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	F2	23	44
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	CTRA_BOVIN	61	32
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	CTSB	24	40
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	CTSG	42	32
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	CTSK	25	40
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	CTSL	35	40
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	PREP	26	41
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	CELA2A	50	32
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	CAPN1	25	40
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	CAPN2	55	40
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	TGM2	24	40
CCN1OC[C@@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003076	FD	On-Demand	Anodyne	NPR	51	32
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	F2	23	44
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	CTRA_BOVIN	61	32
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	CTSB	24	40
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	CTSG	42	32
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	CTSK	25	40
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	CTSL	35	40
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	PREP	26	41
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	CELA2A	50	32
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	CAPN1	25	40
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	CAPN2	55	40
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	TGM2	24	40
CCN1OC[C@@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003078	FD	On-Demand	Anodyne	NPR	51	32
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	F2	23	44
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	CTRA_BOVIN	61	32
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	CTSB	24	40
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	CTSG	42	32
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	CTSK	25	40
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	CTSL	35	40
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	PREP	26	41
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	CELA2A	50	32
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	CAPN1	25	40
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	CAPN2	55	40
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	TGM2	24	40
CCN1OC[C@H](N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003080	FD	On-Demand	Anodyne	NPR	51	32
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	F2	23	44
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	CTRA_BOVIN	61	32
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	CTSB	24	40
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	CTSG	42	32
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	CTSK	25	40
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	CTSL	35	40
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	PREP	26	41
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	CELA2A	50	32
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	CAPN1	25	40
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	CAPN2	55	40
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	TGM2	24	40
CCN1OC[C@H](N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1=O	ZINC000852003082	FD	On-Demand	Anodyne	NPR	51	32
C[C@@H](NC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1ccccc1C(F)(F)F	ZINC000852003098	GJ	On-Demand	Anodyne	RBP4	86	40
C[C@@H](NC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1ccccc1C(F)(F)F	ZINC000852003098	GJ	On-Demand	Anodyne	SFRP1	98	34
C[C@@H](NC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1ccccc1C(F)(F)F	ZINC000852003098	GJ	On-Demand	Anodyne	WNT3	75	34
C[C@@H](NC(=O)N1CCC([C@H]2CCCCO2)CC1)c1ccccc1C(F)(F)F	ZINC000852003102	GJ	On-Demand	Anodyne	RBP4	86	40
C[C@@H](NC(=O)N1CCC([C@H]2CCCCO2)CC1)c1ccccc1C(F)(F)F	ZINC000852003102	GJ	On-Demand	Anodyne	SFRP1	98	34
C[C@@H](NC(=O)N1CCC([C@H]2CCCCO2)CC1)c1ccccc1C(F)(F)F	ZINC000852003102	GJ	On-Demand	Anodyne	WNT3	75	34
O=C(NCc1ccccc1-n1ccnc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852003129	FD	On-Demand	Anodyne	NOS2	99	40
O=C(NC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003130	FG	On-Demand	Anodyne	SLC6A1	117	38
O=C(NC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003130	FG	On-Demand	Anodyne	CTRA_BOVIN	65	35
O=C(NC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003130	FG	On-Demand	Anodyne	CTSG	44	35
O=C(NC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003130	FG	On-Demand	Anodyne	PREP	22	41
O=C(NC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003130	FG	On-Demand	Anodyne	CELA2A	53	35
O=C(NC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003130	FG	On-Demand	Anodyne	TGM2	27	41
O=C(NC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003130	FG	On-Demand	Anodyne	NPR	56	33
O=C(NC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003130	FG	On-Demand	Anodyne	F13A1	16	41
O=C(NCc1ccccc1-n1ccnc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852003132	FD	On-Demand	Anodyne	NOS2	99	40
O=C(NC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003133	FG	On-Demand	Anodyne	SLC6A1	117	38
O=C(NC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003133	FG	On-Demand	Anodyne	CTRA_BOVIN	65	35
O=C(NC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003133	FG	On-Demand	Anodyne	CTSG	44	35
O=C(NC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003133	FG	On-Demand	Anodyne	PREP	22	41
O=C(NC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003133	FG	On-Demand	Anodyne	CELA2A	53	35
O=C(NC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003133	FG	On-Demand	Anodyne	TGM2	27	41
O=C(NC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003133	FG	On-Demand	Anodyne	NPR	56	33
O=C(NC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1)OCc1ccccc1	ZINC000852003133	FG	On-Demand	Anodyne	F13A1	16	41
CC(C)(C)OC(=O)N1C[C@@H]2CN(CC(=O)Nc3cnccn3)C[C@@H]2C1	ZINC000852003147	ED	On-Demand	Anodyne	GPR119	31	48
CN(CCOCc1ccccc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	ZINC000852003149	FE	On-Demand	Anodyne	AMY2	53	30
CN(CCOCc1ccccc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	ZINC000852003149	FE	On-Demand	Anodyne	GBA2	42	37
C#CCOCCN(C)[C@@H](CC(N)=O)c1ccccc1	ZINC000852003218	CD	On-Demand	Mild	AMY2	44	30
C#CCOCCN(C)[C@H](CC(N)=O)c1ccccc1	ZINC000852003219	CD	On-Demand	Mild	AMY2	44	30
O=C(NCC1(c2ccc(F)cc2)CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852003252	GG	On-Demand	Reactive	NMBR	44	33
O=C(NCC1(c2ccc(F)cc2)CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852003252	GG	On-Demand	Reactive	HCN1	50	31
O=C(NCC1(c2ccc(F)cc2)CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852003252	GG	On-Demand	Reactive	HCN4	48	31
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCC(C)(C)C1	ZINC000852003276	CD	On-Demand	Anodyne	AMY2	54	32
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCC(C)(C)C1	ZINC000852003279	CD	On-Demand	Anodyne	AMY2	54	32
Cc1ccncc1CN(C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852003282	EE	On-Demand	Anodyne	GPR119	32	47
Cc1ccncc1CN(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852003283	EE	On-Demand	Anodyne	GPR119	32	47
N#Cc1ccc(CCN2CCC(F)(F)CC2)cc1	ZINC000852003293	CF	On-Demand	Mild	SIGMAR1	23	48
N#Cc1ccc(CCN2CCC(F)(F)CC2)cc1	ZINC000852003293	CF	On-Demand	Mild	KCNJ1	62	73
COc1cccc(SCCNC(C)(C)C(=O)N2CCCC2)c1	ZINC000852003318	DF	On-Demand	Anodyne	DRD4	46	36
COc1cccc(SCCNC(C)(C)C(=O)N2CCCC2)c1	ZINC000852003318	DF	On-Demand	Anodyne	MTNR1A	33	56
COc1cccc(SCCNC(C)(C)C(=O)N2CCCC2)c1	ZINC000852003318	DF	On-Demand	Anodyne	MTNR1B	40	56
COc1cccc(SCCNC(C)(C)C(=O)N2CCCC2)c1	ZINC000852003318	DF	On-Demand	Anodyne	FAS	20	43
COCCN(CCF)C(=O)N[C@H](C)COc1ccccc1C(F)(F)F	ZINC000852003321	FG	On-Demand	Anodyne	RBP4	16	41
COCCN(CCF)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F	ZINC000852003322	FG	On-Demand	Anodyne	RBP4	16	41
COc1cnccc1N1CCN(C[C@H]2CCC(=O)O2)CC1	ZINC000852003323	CC	On-Demand	Anodyne	HTR1A	73	44
COc1cnccc1N1CCN(C[C@H]2CCC(=O)O2)CC1	ZINC000852003323	CC	On-Demand	Anodyne	DRD2	41	40
COc1cnccc1N1CCN(C[C@H]2CCC(=O)O2)CC1	ZINC000852003323	CC	On-Demand	Anodyne	ADRA1D	50	44
COc1cnccc1N1CCN(C[C@H]2CCC(=O)O2)CC1	ZINC000852003323	CC	On-Demand	Anodyne	HTR2A	16	41
COc1cnccc1N1CCN(C[C@H]2CCC(=O)O2)CC1	ZINC000852003323	CC	On-Demand	Anodyne	ADRA1A	48	44
COc1cnccc1N1CCN(C[C@H]2CCC(=O)O2)CC1	ZINC000852003323	CC	On-Demand	Anodyne	ADRA1B	40	44
COc1cnccc1N1CCN(C[C@@H]2CCC(=O)O2)CC1	ZINC000852003324	CC	On-Demand	Anodyne	HTR1A	73	44
COc1cnccc1N1CCN(C[C@@H]2CCC(=O)O2)CC1	ZINC000852003324	CC	On-Demand	Anodyne	DRD2	41	40
COc1cnccc1N1CCN(C[C@@H]2CCC(=O)O2)CC1	ZINC000852003324	CC	On-Demand	Anodyne	ADRA1D	50	44
COc1cnccc1N1CCN(C[C@@H]2CCC(=O)O2)CC1	ZINC000852003324	CC	On-Demand	Anodyne	HTR2A	16	41
COc1cnccc1N1CCN(C[C@@H]2CCC(=O)O2)CC1	ZINC000852003324	CC	On-Demand	Anodyne	ADRA1A	48	44
COc1cnccc1N1CCN(C[C@@H]2CCC(=O)O2)CC1	ZINC000852003324	CC	On-Demand	Anodyne	ADRA1B	40	44
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003340	FD	On-Demand	Anodyne	HTR1A	73	43
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003340	FD	On-Demand	Anodyne	DRD2	52	43
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003340	FD	On-Demand	Anodyne	DRD4	30	42
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003340	FD	On-Demand	Anodyne	ADRA1D	50	40
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003340	FD	On-Demand	Anodyne	ADRA1A	48	40
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003340	FD	On-Demand	Anodyne	ADRA1B	36	40
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003340	FD	On-Demand	Anodyne	DRD3	58	42
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003340	FD	On-Demand	Anodyne	HTR7	46	39
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003341	FD	On-Demand	Anodyne	HTR1A	73	43
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003341	FD	On-Demand	Anodyne	DRD2	52	43
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003341	FD	On-Demand	Anodyne	DRD4	30	42
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003341	FD	On-Demand	Anodyne	ADRA1D	50	40
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003341	FD	On-Demand	Anodyne	ADRA1A	48	40
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003341	FD	On-Demand	Anodyne	ADRA1B	36	40
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003341	FD	On-Demand	Anodyne	DRD3	58	42
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccncc2OC)CC1	ZINC000852003341	FD	On-Demand	Anodyne	HTR7	46	39
COc1cnccc1N1CCN(Cc2cnon2)CC1	ZINC000852003346	CC	On-Demand	Anodyne	HTR1A	50	40
COc1cnccc1N1CCN(Cc2cnon2)CC1	ZINC000852003346	CC	On-Demand	Anodyne	DRD2	35	46
COc1cnccc1N1CCN(Cc2cnon2)CC1	ZINC000852003346	CC	On-Demand	Anodyne	DRD4	29	46
COc1cnccc1N1CCN(Cc2cnon2)CC1	ZINC000852003346	CC	On-Demand	Anodyne	ADRA1D	32	40
COc1cnccc1N1CCN(Cc2cnon2)CC1	ZINC000852003346	CC	On-Demand	Anodyne	ADRA1B	24	40
COc1cnccc1N1CCN(Cc2cnon2)CC1	ZINC000852003346	CC	On-Demand	Anodyne	DRD3	33	46
COc1cnccc1N1CCN(Cc2cnon2)CC1	ZINC000852003346	CC	On-Demand	Anodyne	HTR7	27	40
COc1cnccc1N1CCN(Cc2cccc(F)n2)CC1	ZINC000852003358	DD	On-Demand	Anodyne	HTR1A	74	43
COc1cnccc1N1CCN(Cc2cccc(F)n2)CC1	ZINC000852003358	DD	On-Demand	Anodyne	DRD2	54	46
COc1cnccc1N1CCN(Cc2cccc(F)n2)CC1	ZINC000852003358	DD	On-Demand	Anodyne	DRD4	44	46
COc1cnccc1N1CCN(Cc2cccc(F)n2)CC1	ZINC000852003358	DD	On-Demand	Anodyne	HTR2A	15	45
COc1cnccc1N1CCN(Cc2cccc(F)n2)CC1	ZINC000852003358	DD	On-Demand	Anodyne	DRD3	52	45
COc1cnccc1N1CCN(Cc2cccc(F)n2)CC1	ZINC000852003358	DD	On-Demand	Anodyne	HTR7	44	42
COc1cnccc1N1CCN(C[C@@H]2COC(C)(C)O2)CC1	ZINC000852003367	DD	On-Demand	Anodyne	HTR1A	48	57
COc1cnccc1N1CCN(C[C@@H]2COC(C)(C)O2)CC1	ZINC000852003367	DD	On-Demand	Anodyne	ADRA1D	41	55
COc1cnccc1N1CCN(C[C@@H]2COC(C)(C)O2)CC1	ZINC000852003367	DD	On-Demand	Anodyne	ADRA1A	36	57
COc1cnccc1N1CCN(C[C@@H]2COC(C)(C)O2)CC1	ZINC000852003367	DD	On-Demand	Anodyne	ADRA1B	34	57
COc1cnccc1N1CCN(C[C@H]2COC(C)(C)O2)CC1	ZINC000852003368	DD	On-Demand	Anodyne	HTR1A	48	57
COc1cnccc1N1CCN(C[C@H]2COC(C)(C)O2)CC1	ZINC000852003368	DD	On-Demand	Anodyne	ADRA1D	41	55
COc1cnccc1N1CCN(C[C@H]2COC(C)(C)O2)CC1	ZINC000852003368	DD	On-Demand	Anodyne	ADRA1A	36	57
COc1cnccc1N1CCN(C[C@H]2COC(C)(C)O2)CC1	ZINC000852003368	DD	On-Demand	Anodyne	ADRA1B	34	57
C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003372	FH	On-Demand	Anodyne	RBP4	48	39
C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003372	FH	On-Demand	Anodyne	SFRP1	56	32
C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003372	FH	On-Demand	Anodyne	WNT3	53	32
C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003373	FH	On-Demand	Anodyne	RBP4	48	39
C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003373	FH	On-Demand	Anodyne	SFRP1	56	32
C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003373	FH	On-Demand	Anodyne	WNT3	53	32
C[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003374	FH	On-Demand	Anodyne	RBP4	48	39
C[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003374	FH	On-Demand	Anodyne	SFRP1	56	32
C[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003374	FH	On-Demand	Anodyne	WNT3	53	32
C[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003375	FH	On-Demand	Anodyne	RBP4	48	39
C[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003375	FH	On-Demand	Anodyne	SFRP1	56	32
C[C@H](NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1ccccc1C(F)(F)F	ZINC000852003375	FH	On-Demand	Anodyne	WNT3	53	32
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	HTR1A	77	44
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	DRD2	55	46
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	DRD4	48	54
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	ADRA1D	57	41
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	ADRA1A	53	41
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	ADRA1B	40	40
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	DRD3	68	46
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	PDGFRB	40	38
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	HTR7	51	42
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	ENPP1	70	35
COc1cnccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852003397	FD	On-Demand	Anodyne	SLC27A1	40	36
C[C@H](NC(=O)N1C[C@@H]2COC[C@@]2(C)C1)c1ccccc1C(F)(F)F	ZINC000852003427	EG	On-Demand	Anodyne	RBP4	69	40
C[C@H](NC(=O)N1C[C@H]2COC[C@]2(C)C1)c1ccccc1C(F)(F)F	ZINC000852003428	EG	On-Demand	Anodyne	RBP4	69	40
C[C@H](NC(=O)N1C[C@H]2COC[C@@]2(C)C1)c1ccccc1C(F)(F)F	ZINC000852003429	EG	On-Demand	Anodyne	RBP4	69	40
C[C@H](NC(=O)N1C[C@@H]2COC[C@]2(C)C1)c1ccccc1C(F)(F)F	ZINC000852003430	EG	On-Demand	Anodyne	RBP4	69	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4c(F)cccc43)C2)cc1	ZINC000852003435	FG	On-Demand	Clean	DRD4	43	36
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4c(F)cccc43)C2)cc1	ZINC000852003435	FG	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4c(F)cccc43)C2)cc1	ZINC000852003437	FG	On-Demand	Clean	DRD4	43	36
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4c(F)cccc43)C2)cc1	ZINC000852003437	FG	On-Demand	Clean	MTNR1A	15	45
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1ccccc1C(F)(F)F	ZINC000852003443	EJ	On-Demand	Anodyne	RBP4	89	42
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1ccccc1C(F)(F)F	ZINC000852003443	EJ	On-Demand	Anodyne	SFRP1	117	35
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1ccccc1C(F)(F)F	ZINC000852003443	EJ	On-Demand	Anodyne	WNT3	83	35
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1C(F)(F)F	ZINC000852003444	EJ	On-Demand	Anodyne	RBP4	89	42
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1C(F)(F)F	ZINC000852003444	EJ	On-Demand	Anodyne	SFRP1	117	35
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1C(F)(F)F	ZINC000852003444	EJ	On-Demand	Anodyne	WNT3	83	35
C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F	ZINC000852003459	EI	On-Demand	Anodyne	RBP4	94	50
C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F	ZINC000852003459	EI	On-Demand	Anodyne	SFRP1	73	32
C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F	ZINC000852003459	EI	On-Demand	Anodyne	WNT3	56	32
C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F	ZINC000852003460	EI	On-Demand	Anodyne	RBP4	94	50
C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F	ZINC000852003460	EI	On-Demand	Anodyne	SFRP1	73	32
C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1C(F)(F)F	ZINC000852003460	EI	On-Demand	Anodyne	WNT3	56	32
Cc1nc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(C)o1	ZINC000852003465	DF	On-Demand	Anodyne	PDE8B	47	32
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	F2	27	43
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	GRIN2B	27	44
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	CTRA_BOVIN	52	31
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	CCR3	21	40
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	PREP	31	41
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	CELA2A	47	31
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	CAPN2	45	39
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	TGM2	28	41
O=C(NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003484	FF	On-Demand	Anodyne	NPR	58	33
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	F2	27	43
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	GRIN2B	27	44
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	CTRA_BOVIN	52	31
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	CCR3	21	40
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	PREP	31	41
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	CELA2A	47	31
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	CAPN2	45	39
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	TGM2	28	41
O=C(NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1)OCc1ccccc1	ZINC000852003486	FF	On-Demand	Anodyne	NPR	58	33
C[C@H](NC(=O)N1C[C@@]2(C)COC[C@@]2(C)C1)c1ccccc1C(F)(F)F	ZINC000852003501	FH	On-Demand	Anodyne	RBP4	77	40
C[C@@H](NC(=O)N1C[C@@]2(C)COC[C@@]2(C)C1)c1ccccc1C(F)(F)F	ZINC000852003503	FH	On-Demand	Anodyne	RBP4	77	40
C=CCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1	ZINC000852003522	GE	On-Demand	Mild	NPY2R	58	34
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	ACE	22	42
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	PTAFR	27	41
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CTRA_BOVIN	55	33
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CTSB	43	47
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	TRY1_BOVIN	53	34
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CTSG	40	33
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CTSK	39	47
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CTSL	41	47
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	DPP4	16	48
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	PREP	39	50
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CAPNS1	51	31
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CELA2A	41	33
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	LGMN	72	42
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CTSS	37	43
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CAPN1	48	42
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	CAPN2	90	42
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	TGM2	30	42
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	NPR	58	33
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003589	FH	On-Demand	Mild	F13A1	16	42
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	ACE	22	42
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	PTAFR	27	41
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CTRA_BOVIN	55	33
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CTSB	43	47
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	TRY1_BOVIN	53	34
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CTSG	40	33
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CTSK	39	47
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CTSL	41	47
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	DPP4	16	48
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	PREP	39	50
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CAPNS1	51	31
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CELA2A	41	33
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	LGMN	72	42
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CTSS	37	43
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CAPN1	48	42
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	CAPN2	90	42
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	TGM2	30	42
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	NPR	58	33
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003590	FH	On-Demand	Mild	F13A1	16	42
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	ACE	22	42
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	PTAFR	27	41
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CTRA_BOVIN	55	33
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CTSB	43	47
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	TRY1_BOVIN	53	34
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CTSG	40	33
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CTSK	39	47
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CTSL	41	47
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	DPP4	16	48
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	PREP	39	50
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CAPNS1	51	31
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CELA2A	41	33
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	LGMN	72	42
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CTSS	37	43
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CAPN1	48	42
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	CAPN2	90	42
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	TGM2	30	42
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	NPR	58	33
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003591	FH	On-Demand	Mild	F13A1	16	42
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	ACE	22	42
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	PTAFR	27	41
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CTRA_BOVIN	55	33
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CTSB	43	47
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	TRY1_BOVIN	53	34
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CTSG	40	33
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CTSK	39	47
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CTSL	41	47
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	DPP4	16	48
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	PREP	39	50
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CAPNS1	51	31
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CELA2A	41	33
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	LGMN	72	42
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CTSS	37	43
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CAPN1	48	42
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	CAPN2	90	42
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	TGM2	30	42
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	NPR	58	33
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852003592	FH	On-Demand	Mild	F13A1	16	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852003635	GE	On-Demand	Clean	STAT6	53	34
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852003637	GE	On-Demand	Clean	STAT6	53	34
Cn1ncc(C2CC2)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852003643	FE	On-Demand	Clean	STAT6	58	35
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852003675	FG	On-Demand	Clean	NPSR1	25	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852003675	FG	On-Demand	Clean	STAT6	50	35
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852003678	FG	On-Demand	Clean	NPSR1	25	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852003678	FG	On-Demand	Clean	STAT6	50	35
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C)C2)cc1	ZINC000852003688	DF	On-Demand	Clean	HRH4	26	42
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C)C2)cc1	ZINC000852003688	DF	On-Demand	Clean	MTNR1A	22	49
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C)C2)cc1	ZINC000852003688	DF	On-Demand	Clean	MTNR1B	23	49
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C)C2)cc1	ZINC000852003688	DF	On-Demand	Clean	MCHR1	15	45
CO[C@@]1(C)CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852003697	DD	On-Demand	Anodyne	SLC12A5	51	34
CO[C@@]1(C)CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852003703	DD	On-Demand	Anodyne	SLC12A5	51	34
CC(C)(C)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852003708	EH	On-Demand	Anodyne	ROCK2	21	40
CC(C)(C)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003738	DE	On-Demand	Anodyne	CHRM2	36	43
CC(C)(C)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003738	DE	On-Demand	Anodyne	CHRM1	36	42
CC(C)(C)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003738	DE	On-Demand	Anodyne	SLC6A1	86	36
CC(C)(C)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003738	DE	On-Demand	Anodyne	CHRM4	31	42
CC(C)(C)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003738	DE	On-Demand	Anodyne	CHRM5	27	42
CC(C)(C)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003738	DE	On-Demand	Anodyne	CHRM3	61	43
CC(C)(C)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003738	DE	On-Demand	Anodyne	AMY2	62	37
CC(C)(C)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003738	DE	On-Demand	Anodyne	CYP2J2	54	40
CC(C)(C)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003744	DE	On-Demand	Anodyne	CHRM2	36	43
CC(C)(C)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003744	DE	On-Demand	Anodyne	CHRM1	36	42
CC(C)(C)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003744	DE	On-Demand	Anodyne	SLC6A1	86	36
CC(C)(C)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003744	DE	On-Demand	Anodyne	CHRM4	31	42
CC(C)(C)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003744	DE	On-Demand	Anodyne	CHRM5	27	42
CC(C)(C)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003744	DE	On-Demand	Anodyne	CHRM3	61	43
CC(C)(C)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003744	DE	On-Demand	Anodyne	AMY2	62	37
CC(C)(C)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852003744	DE	On-Demand	Anodyne	CYP2J2	54	40
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003765	GI	On-Demand	Anodyne	CCR3	52	34
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003765	GI	On-Demand	Anodyne	CACNA1I	42	35
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003765	GI	On-Demand	Anodyne	SFRP1	68	34
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003765	GI	On-Demand	Anodyne	WNT3	54	34
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003769	GI	On-Demand	Anodyne	CCR3	52	34
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003769	GI	On-Demand	Anodyne	CACNA1I	42	35
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003769	GI	On-Demand	Anodyne	SFRP1	68	34
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003769	GI	On-Demand	Anodyne	WNT3	54	34
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003775	GI	On-Demand	Anodyne	CCR3	52	34
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003775	GI	On-Demand	Anodyne	CACNA1I	42	35
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003775	GI	On-Demand	Anodyne	SFRP1	68	34
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852003775	GI	On-Demand	Anodyne	WNT3	54	34
COc1cnccc1N1CCN(CCn2cnc(Br)n2)CC1	ZINC000852003804	FD	On-Demand	Anodyne	HTR1A	74	45
COc1cnccc1N1CCN(CCn2cnc(Br)n2)CC1	ZINC000852003804	FD	On-Demand	Anodyne	DRD2	52	42
COc1cnccc1N1CCN(CCn2cnc(Br)n2)CC1	ZINC000852003804	FD	On-Demand	Anodyne	DRD4	32	42
COc1cnccc1N1CCN(CCn2cnc(Br)n2)CC1	ZINC000852003804	FD	On-Demand	Anodyne	ADRA1D	42	39
COc1cnccc1N1CCN(CCn2cnc(Br)n2)CC1	ZINC000852003804	FD	On-Demand	Anodyne	ADRA1A	41	39
COc1cnccc1N1CCN(CCn2cnc(Br)n2)CC1	ZINC000852003804	FD	On-Demand	Anodyne	DRD3	54	42
COc1cnccc1N1CCN(CCn2cnc(Br)n2)CC1	ZINC000852003804	FD	On-Demand	Anodyne	HTR7	43	40
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccccc1C(F)(F)F	ZINC000852003820	FG	On-Demand	Anodyne	RBP4	42	35
C[C@@H](NC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852003836	FF	On-Demand	Anodyne	RBP4	82	39
C[C@@H](NC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852003836	FF	On-Demand	Anodyne	SFRP1	57	32
C[C@@H](NC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852003836	FF	On-Demand	Anodyne	WNT3	51	32
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003841	FF	On-Demand	Anodyne	DRD2	16	46
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003841	FF	On-Demand	Anodyne	DRD4	20	46
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003841	FF	On-Demand	Anodyne	DRD3	16	46
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003841	FF	On-Demand	Anodyne	CTRA_BOVIN	41	30
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003841	FF	On-Demand	Anodyne	CCR3	28	45
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003841	FF	On-Demand	Anodyne	PREP	25	41
COc1cc(CN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003841	FF	On-Demand	Anodyne	NPR	57	32
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003842	FF	On-Demand	Anodyne	DRD2	16	46
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003842	FF	On-Demand	Anodyne	DRD4	20	46
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003842	FF	On-Demand	Anodyne	DRD3	16	46
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003842	FF	On-Demand	Anodyne	CTRA_BOVIN	41	30
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003842	FF	On-Demand	Anodyne	CCR3	28	45
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003842	FF	On-Demand	Anodyne	PREP	25	41
COc1cc(CN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)on1	ZINC000852003842	FF	On-Demand	Anodyne	NPR	57	32
C[C@@H](NC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852003845	FF	On-Demand	Anodyne	RBP4	82	39
C[C@@H](NC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852003845	FF	On-Demand	Anodyne	SFRP1	57	32
C[C@@H](NC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852003845	FF	On-Demand	Anodyne	WNT3	51	32
C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1C(F)(F)F	ZINC000852003853	GF	On-Demand	Anodyne	RBP4	64	36
C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1C(F)(F)F	ZINC000852003853	GF	On-Demand	Anodyne	SFRP1	132	41
C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1C(F)(F)F	ZINC000852003853	GF	On-Demand	Anodyne	WNT3	95	41
O=C(NCCc1ccnc2ccccc12)NCc1ccc(N2CCOCC2)cc1	ZINC000852003883	GG	On-Demand	Clean	TGFBR2	21	40
O=C(NCCc1ccnc2ccccc12)NCc1ccc(N2CCOCC2)cc1	ZINC000852003883	GG	On-Demand	Clean	EPHB4	42	32
O=C(NCCc1ccnc2ccccc12)NCc1ccc(N2CCOCC2)cc1	ZINC000852003883	GG	On-Demand	Clean	BMP4	30	40
O=C(NCCc1ccnc2ccccc12)NCc1ccc(N2CCOCC2)cc1	ZINC000852003883	GG	On-Demand	Clean	STAT6	66	38
O=C(NCCc1ccnc2ccccc12)NCc1ccc(N2CCOCC2)cc1	ZINC000852003883	GG	On-Demand	Clean	BMPR1B	24	40
O=C(NCCc1ccnc2ccccc12)NCc1ccc(N2CCOCC2)cc1	ZINC000852003883	GG	On-Demand	Clean	ACVR1	19	40
O=C(NCc1ccccc1-n1ccnc1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852003903	GC	On-Demand	Reactive	NOS2	83	34
Cc1nnc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)s1	ZINC000852003911	FE	On-Demand	Clean	STAT6	51	34
Cc1cncc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)n1	ZINC000852003913	FD	On-Demand	Clean	STAT6	58	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000852003915	GF	On-Demand	Clean	MCHR1	16	43
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000852003915	GF	On-Demand	Clean	STAT6	47	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000852003917	GF	On-Demand	Clean	MCHR1	16	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000852003917	GF	On-Demand	Clean	STAT6	47	36
O=C(CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)Nc1cnccn1	ZINC000852003918	GE	On-Demand	Anodyne	GRIN2B	27	55
O=C(CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)Nc1cnccn1	ZINC000852003918	GE	On-Demand	Anodyne	CCR3	27	40
O=C(CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)Nc1cnccn1	ZINC000852003918	GE	On-Demand	Anodyne	TGM2	33	43
O=C(CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)Nc1cnccn1	ZINC000852003918	GE	On-Demand	Anodyne	F13A1	24	43
O=C(CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)Nc1cnccn1	ZINC000852003920	GE	On-Demand	Anodyne	GRIN2B	27	55
O=C(CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)Nc1cnccn1	ZINC000852003920	GE	On-Demand	Anodyne	CCR3	27	40
O=C(CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)Nc1cnccn1	ZINC000852003920	GE	On-Demand	Anodyne	TGM2	33	43
O=C(CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)Nc1cnccn1	ZINC000852003920	GE	On-Demand	Anodyne	F13A1	24	43
O=C(NC[C@H]1CCCN(CCc2cnn[nH]2)C1)OCc1ccccc1	ZINC000852003953	ED	On-Demand	Anodyne	SLC6A1	62	36
O=C(NC[C@H]1CCCN(CCc2cnn[nH]2)C1)OCc1ccccc1	ZINC000852003953	ED	On-Demand	Anodyne	CCR3	41	42
O=C(NC[C@H]1CCCN(CCc2cnn[nH]2)C1)OCc1ccccc1	ZINC000852003953	ED	On-Demand	Anodyne	PREP	40	35
O=C(NC[C@H]1CCCN(CCc2cnn[nH]2)C1)OCc1ccccc1	ZINC000852003953	ED	On-Demand	Anodyne	TGM2	19	40
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852003954	EE	On-Demand	Clean	STAT6	42	34
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852003956	EE	On-Demand	Clean	STAT6	42	34
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852003958	GF	On-Demand	Clean	DRD2	15	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852003958	GF	On-Demand	Clean	DRD3	15	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852003958	GF	On-Demand	Clean	EPHX2	16	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852003958	GF	On-Demand	Clean	STAT6	38	40
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852003963	GF	On-Demand	Clean	SIGMAR1	23	41
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852003963	GF	On-Demand	Clean	STAT6	50	38
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852003965	GF	On-Demand	Clean	SIGMAR1	23	41
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852003965	GF	On-Demand	Clean	STAT6	50	38
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	ACE	26	42
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CTRA_BOVIN	54	32
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CTSB	35	42
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	TRY1_BOVIN	40	32
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CTSG	40	32
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CTSK	32	42
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CTSL	41	42
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	PREP	31	43
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CAPNS1	51	31
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CELA2A	41	32
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CTSS	35	41
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CAPN1	46	42
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	CAPN2	76	42
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	TGM2	29	42
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	NPR	65	36
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	F13A1	15	42
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	BIRC2	32	41
CO[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003989	FG	On-Demand	Anodyne	SLC12A5	40	39
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	ACE	26	42
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CTRA_BOVIN	54	32
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CTSB	35	42
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	TRY1_BOVIN	40	32
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CTSG	40	32
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CTSK	32	42
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CTSL	41	42
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	PREP	31	43
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CAPNS1	51	31
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CELA2A	41	32
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CTSS	35	41
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CAPN1	46	42
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	CAPN2	76	42
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	TGM2	29	42
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	NPR	65	36
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	F13A1	15	42
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	BIRC2	32	41
CO[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CCC1	ZINC000852003990	FG	On-Demand	Anodyne	SLC12A5	40	39
NC(=O)[C@](O)(CN(CC1CC1)C1CCC1)c1ccccc1	ZINC000852003999	CD	On-Demand	Anodyne	AMY2	46	32
NC(=O)[C@@](O)(CN(CC1CC1)C1CCC1)c1ccccc1	ZINC000852004000	CD	On-Demand	Anodyne	AMY2	46	32
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cnc(C(F)(F)F)nc1	ZINC000852004039	GE	On-Demand	Clean	STAT6	71	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852004042	DE	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852004042	DE	On-Demand	Clean	NAMPT	32	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852004044	DE	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852004044	DE	On-Demand	Clean	NAMPT	32	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852004046	DE	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852004046	DE	On-Demand	Clean	NAMPT	32	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852004048	DE	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852004048	DE	On-Demand	Clean	NAMPT	32	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCc2nccnc2C1	ZINC000852004058	FD	On-Demand	Clean	STAT6	59	37
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCc2nccnc2C1	ZINC000852004058	FD	On-Demand	Clean	NAMPT	38	45
O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852004072	GF	On-Demand	Clean	STAT6	59	37
O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852004072	GF	On-Demand	Clean	NAMPT	30	40
O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852004074	GF	On-Demand	Clean	STAT6	59	37
O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852004074	GF	On-Demand	Clean	NAMPT	30	40
O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852004076	GF	On-Demand	Clean	STAT6	59	37
O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852004076	GF	On-Demand	Clean	NAMPT	30	40
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC2CC1(c1ccccc1)C2	ZINC000852004078	GG	On-Demand	Clean	NPSR1	28	44
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC2CC1(c1ccccc1)C2	ZINC000852004078	GG	On-Demand	Clean	STAT6	48	39
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCOc2ccc(O)cc2C1	ZINC000852004108	GE	On-Demand	Clean	NAMPT	29	43
Cn1cc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc21	ZINC000852004131	GG	On-Demand	Clean	PTGDS	41	37
Cn1cc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc21	ZINC000852004131	GG	On-Demand	Clean	DPOL_VZVD	22	41
Cn1cc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc21	ZINC000852004131	GG	On-Demand	Clean	STAT6	46	36
O=C(NCCCC1CCC1)NCc1ccc(N2CCOCC2)cc1	ZINC000852004143	EF	On-Demand	Clean	NAMPT	19	41
COc1cnccc1N1CCN(CCC(OC)OC)CC1	ZINC000852004170	CD	On-Demand	Anodyne	HTR1A	86	47
COc1cnccc1N1CCN(CCC(OC)OC)CC1	ZINC000852004170	CD	On-Demand	Anodyne	DRD2	60	46
COc1cnccc1N1CCN(CCC(OC)OC)CC1	ZINC000852004170	CD	On-Demand	Anodyne	DRD4	38	41
COc1cnccc1N1CCN(CCC(OC)OC)CC1	ZINC000852004170	CD	On-Demand	Anodyne	ADRA1D	50	42
COc1cnccc1N1CCN(CCC(OC)OC)CC1	ZINC000852004170	CD	On-Demand	Anodyne	HTR2A	21	42
COc1cnccc1N1CCN(CCC(OC)OC)CC1	ZINC000852004170	CD	On-Demand	Anodyne	ADRA1A	47	42
COc1cnccc1N1CCN(CCC(OC)OC)CC1	ZINC000852004170	CD	On-Demand	Anodyne	DRD3	66	44
COc1cnccc1N1CCN(CCC(OC)OC)CC1	ZINC000852004170	CD	On-Demand	Anodyne	HTR7	52	41
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)c1ccccc1C(F)(F)F	ZINC000852004178	FI	On-Demand	Mild	CTRB_BOVIN	49	39
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1C(F)(F)F	ZINC000852004182	GG	On-Demand	Anodyne	RBP4	74	38
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1C(F)(F)F	ZINC000852004182	GG	On-Demand	Anodyne	SFRP1	79	33
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1C(F)(F)F	ZINC000852004182	GG	On-Demand	Anodyne	WNT3	62	33
COC(=O)[C@@H](C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852004187	CB	On-Demand	Anodyne	AMY2	55	33
COC(=O)[C@@H](C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852004187	CB	On-Demand	Anodyne	KIF11	19	42
COC(=O)[C@@H](C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852004189	CB	On-Demand	Anodyne	AMY2	55	33
COC(=O)[C@@H](C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852004189	CB	On-Demand	Anodyne	KIF11	19	42
COCCN(CCF)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004191	ED	On-Demand	Clean	STAT6	42	32
COCCN(CCF)C(=O)NCc1ccccc1-n1ccnc1	ZINC000852004206	DD	On-Demand	Anodyne	NOS2	47	31
O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852004227	EE	On-Demand	Clean	STAT6	44	34
O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852004227	EE	On-Demand	Clean	NAMPT	31	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3-n3ccnc3)C2)cc1	ZINC000852004232	GF	On-Demand	Clean	NOS2	82	38
CC(C)(C)N1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000852004233	FE	On-Demand	Clean	STAT6	51	34
O=C(NCCC1SCCS1)NCc1ccccc1-n1ccnc1	ZINC000852004234	EF	On-Demand	Anodyne	NOS2	46	30
CC(C)(C)N1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000852004236	FE	On-Demand	Clean	STAT6	51	34
CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]2C1	ZINC000852004244	FG	On-Demand	Bother	GPR119	27	43
CN(Cc1cn(C)nn1)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004248	EC	On-Demand	Clean	STAT6	55	34
NC(=O)[C@](O)(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1ccccc1	ZINC000852004249	ED	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@](O)(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)c1ccccc1	ZINC000852004251	ED	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@](O)(CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1ccccc1	ZINC000852004252	ED	On-Demand	Anodyne	AMY2	43	30
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	SIGMAR1	17	46
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	P2RX7	15	42
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	PIK3CD	15	41
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	PIK3CB	24	41
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	EPHB4	47	36
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	AKR1C3	15	45
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	STAT6	61	41
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	BCL2A1	31	45
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)c(Cl)c1	ZINC000852004253	GH	On-Demand	Clean	RPA1	90	40
NC(=O)[C@](O)(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1ccccc1	ZINC000852004254	ED	On-Demand	Anodyne	AMY2	43	30
C[C@@H](NC(=O)NCc1c(C2CCC2)cnn1C)c1ccccc1C(F)(F)F	ZINC000852004256	GI	On-Demand	Anodyne	P2RX7	26	40
C[C@@H](NC(=O)NCc1c(C2CCC2)cnn1C)c1ccccc1C(F)(F)F	ZINC000852004256	GI	On-Demand	Anodyne	RBP4	55	34
C[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852004259	GG	On-Demand	Anodyne	RBP4	91	42
C[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852004259	GG	On-Demand	Anodyne	MCHR1	21	46
C[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852004259	GG	On-Demand	Anodyne	SFRP1	105	39
C[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852004259	GG	On-Demand	Anodyne	WNT3	78	39
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](C2CCC2)C1	ZINC000852004260	FG	On-Demand	Clean	NAMPT	30	41
C[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852004261	GG	On-Demand	Anodyne	RBP4	91	42
C[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852004261	GG	On-Demand	Anodyne	MCHR1	21	46
C[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852004261	GG	On-Demand	Anodyne	SFRP1	105	39
C[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852004261	GG	On-Demand	Anodyne	WNT3	78	39
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852004262	FG	On-Demand	Clean	NAMPT	30	41
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1C(F)(F)F	ZINC000852004267	FG	On-Demand	Anodyne	RBP4	81	39
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1C(F)(F)F	ZINC000852004267	FG	On-Demand	Anodyne	SFRP1	70	32
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1C(F)(F)F	ZINC000852004267	FG	On-Demand	Anodyne	WNT3	58	32
C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004269	FG	On-Demand	Clean	STAT6	42	36
CN(CCNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)Cc1ccccc1	ZINC000852004271	GG	On-Demand	Anodyne	CTSB	15	45
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1C(F)(F)F	ZINC000852004272	FG	On-Demand	Anodyne	RBP4	81	39
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1C(F)(F)F	ZINC000852004272	FG	On-Demand	Anodyne	SFRP1	70	32
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1C(F)(F)F	ZINC000852004272	FG	On-Demand	Anodyne	WNT3	58	32
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	ACE	25	42
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	SLC6A1	45	35
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	CTRA_BOVIN	55	34
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	TRY1_BOVIN	41	34
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	CTSG	40	32
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	CTSL	40	39
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	PREP	32	43
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	CAPNS1	50	30
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	CELA2A	42	34
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	CAPN1	50	42
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	CAPN2	83	42
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	TGM2	29	42
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	NPR	65	36
COC[C@@H](CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004305	FE	On-Demand	Anodyne	SLC12A5	37	41
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	ACE	25	42
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	SLC6A1	45	35
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	CTRA_BOVIN	55	34
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	TRY1_BOVIN	41	34
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	CTSG	40	32
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	CTSL	40	39
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	PREP	32	43
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	CAPNS1	50	30
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	CELA2A	42	34
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	CAPN1	50	42
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	CAPN2	83	42
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	TGM2	29	42
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	NPR	65	36
COC[C@@H](CN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)OC	ZINC000852004307	FE	On-Demand	Anodyne	SLC12A5	37	41
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	SLC6A1	44	35
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	HRH3	20	41
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	SIGMAR1	19	42
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	CTSB	22	40
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	CTSK	26	45
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	CTSL	29	45
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	CCR3	41	46
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	LGMN	57	37
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	CTSS	31	40
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	TGM2	20	41
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	NPR	52	33
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	SLC12A5	37	41
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004315	GH	On-Demand	Mild	KCNJ1	16	41
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	SLC6A1	44	35
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	HRH3	20	41
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	SIGMAR1	19	42
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	CTSB	22	40
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	CTSK	26	45
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	CTSL	29	45
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	CCR3	41	46
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	LGMN	57	37
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	CTSS	31	40
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	TGM2	20	41
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	NPR	52	33
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	SLC12A5	37	41
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1	ZINC000852004316	GH	On-Demand	Mild	KCNJ1	16	41
C#CCOCCN1CCC(n2c(C)nc3ccccc32)CC1	ZINC000852004325	CF	On-Demand	Mild	HRH1	19	51
C#CCOCCN1CCC(n2c(C)nc3ccccc32)CC1	ZINC000852004325	CF	On-Demand	Mild	CCR5	16	50
O=C(NCCc1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852004353	FE	On-Demand	Anodyne	RBP4	72	36
O=C(NCCc1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852004354	FE	On-Demand	Anodyne	RBP4	72	36
O=C(NC[C@H]1CCCN(Cc2cnon2)C1)OCc1ccccc1	ZINC000852004368	EE	On-Demand	Anodyne	CTRA_BOVIN	62	32
O=C(NC[C@H]1CCCN(Cc2cnon2)C1)OCc1ccccc1	ZINC000852004368	EE	On-Demand	Anodyne	CTSG	42	32
O=C(NC[C@H]1CCCN(Cc2cnon2)C1)OCc1ccccc1	ZINC000852004368	EE	On-Demand	Anodyne	CCR3	20	45
O=C(NC[C@H]1CCCN(Cc2cnon2)C1)OCc1ccccc1	ZINC000852004368	EE	On-Demand	Anodyne	PREP	38	41
O=C(NC[C@H]1CCCN(Cc2cnon2)C1)OCc1ccccc1	ZINC000852004368	EE	On-Demand	Anodyne	CELA2A	50	32
O=C(NC[C@H]1CCCN(Cc2cnon2)C1)OCc1ccccc1	ZINC000852004368	EE	On-Demand	Anodyne	TGM2	26	41
O=C(NC[C@H]1CCCN(Cc2cnon2)C1)OCc1ccccc1	ZINC000852004368	EE	On-Demand	Anodyne	NPR	48	31
NC(=O)[C@](O)(CN1CCC(n2cnnc2O)CC1)c1ccccc1	ZINC000852004374	EB	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@@](O)(CN1CCC(n2cnnc2O)CC1)c1ccccc1	ZINC000852004375	EB	On-Demand	Anodyne	CYP2J2	45	32
O=C(NCCN1CCc2sccc2C1)NCc1ncccn1	ZINC000852004382	DD	On-Demand	Anodyne	UTS2R	17	45
C[C@@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1(F)F	ZINC000852004493	EE	On-Demand	Clean	STAT6	53	34
CC(C)c1cccc(CNC(C)(C)C(=O)N2CCCC2)c1	ZINC000852004508	CG	On-Demand	Anodyne	DPP7	44	38
O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCc2nccnc2C1	ZINC000852004520	FE	On-Demand	Anodyne	NAMPT	28	44
O=C(NCc1ccc(N2CCCCC2=O)cc1)NNc1ccc(Cl)cn1	ZINC000852004524	FG	On-Demand	Reactive	F10	27	57
C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)c2ncnn21	ZINC000852004528	FD	On-Demand	Clean	STAT6	43	33
O=C(NCc1ccc(N2CCCCC2=O)cc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852004533	GG	On-Demand	Anodyne	CCR3	50	35
O=C(NCc1ccc(N2CCCCC2=O)cc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852004534	GG	On-Demand	Anodyne	CCR3	50	35
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852004547	ED	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852004547	ED	On-Demand	Clean	NAMPT	33	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852004549	ED	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852004549	ED	On-Demand	Clean	NAMPT	33	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852004552	ED	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852004552	ED	On-Demand	Clean	NAMPT	33	42
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852004554	ED	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852004554	ED	On-Demand	Clean	NAMPT	33	42
C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCN1S(C)(=O)=O	ZINC000852004556	GC	On-Demand	Clean	NAMPT	36	41
C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852004565	GG	On-Demand	Anodyne	SFRP1	66	32
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004566	EG	On-Demand	Clean	STAT6	63	37
C[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852004567	GG	On-Demand	Anodyne	SFRP1	66	32
C[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852004570	GG	On-Demand	Anodyne	SFRP1	66	32
C[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1C(F)(F)F	ZINC000852004572	GG	On-Demand	Anodyne	SFRP1	66	32
CN(C[C@@H]1COCCO1)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004586	ED	On-Demand	Clean	EPHB4	45	33
O=C(NCCO[C@H]1CC1(F)F)NCc1ccc(N2CCOCC2)cc1	ZINC000852004597	FD	On-Demand	Clean	STAT6	46	32
O=C(NCCO[C@@H]1CC1(F)F)NCc1ccc(N2CCOCC2)cc1	ZINC000852004599	FD	On-Demand	Clean	STAT6	46	32
COc1ccc(N2CC[C@H](NC(=O)NCc3cnn(C)c3)C2)cc1	ZINC000852004614	ED	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cnn(C)c3)C2)cc1	ZINC000852004614	ED	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cnn(C)c3)C2)cc1	ZINC000852004614	ED	On-Demand	Clean	MCHR1	17	48
CC(C)(C)OC(=O)N1C[C@@H]2CN(CCOCc3ccccc3)C[C@@H]2C1	ZINC000852004645	EG	On-Demand	Anodyne	UGCG	50	41
CC(C)(C)OC(=O)N1C[C@@H]2CN(CCOCc3ccccc3)C[C@@H]2C1	ZINC000852004645	EG	On-Demand	Anodyne	CCR5	16	40
CC(C)(C)OC(=O)N1C[C@@H]2CN(CCOCc3ccccc3)C[C@@H]2C1	ZINC000852004645	EG	On-Demand	Anodyne	GBA	24	41
CC(C)(C)OC(=O)N1C[C@@H]2CN(CCOCc3ccccc3)C[C@@H]2C1	ZINC000852004645	EG	On-Demand	Anodyne	GBA2	60	41
CC(C)(C)OC(=O)N1C[C@@H]2CN(CCOCc3ccccc3)C[C@@H]2C1	ZINC000852004645	EG	On-Demand	Anodyne	GPR119	34	40
C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004654	FG	On-Demand	Mild	STAT6	51	34
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004656	FG	On-Demand	Mild	STAT6	51	34
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004659	FG	On-Demand	Mild	STAT6	51	34
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004661	FG	On-Demand	Mild	STAT6	51	34
O=C(NCC1=CCCC1)NCc1ccc(N2CCOCC2)cc1	ZINC000852004663	DE	On-Demand	Clean	STAT6	42	34
O=C(NCCC1SCCS1)NCc1ccc(N2CCOCC2)cc1	ZINC000852004673	FF	On-Demand	Clean	STAT6	50	33
O=C(NCc1ccc(N2CCOCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852004691	FE	On-Demand	Reactive	F10	35	44
O=C(NCc1ccc(N2CCOCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852004691	FE	On-Demand	Reactive	UL54	16	41
O=C(NCc1ccc(N2CCOCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852004691	FE	On-Demand	Reactive	DPOL_VZVD	32	41
O=C(NCc1ccc(N2CCOCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852004691	FE	On-Demand	Reactive	STAT6	71	40
CS(=O)(=O)CC1(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	ZINC000852004763	GD	On-Demand	Clean	STAT6	47	34
O=C(NCc1ccc(N2CCOCC2)cc1)NNC(=O)c1cccc(F)n1	ZINC000852004772	FD	On-Demand	Reactive	STAT6	63	39
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004777	GG	On-Demand	Clean	P2RX7	28	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004777	GG	On-Demand	Clean	CCR3	44	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004777	GG	On-Demand	Clean	STAT6	56	38
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004779	GG	On-Demand	Clean	P2RX7	28	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004779	GG	On-Demand	Clean	CCR3	44	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004779	GG	On-Demand	Clean	STAT6	56	38
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ncccn1	ZINC000852004798	ED	On-Demand	Clean	PIK3CA	34	44
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ncccn1	ZINC000852004798	ED	On-Demand	Clean	PIK3CD	15	44
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ncccn1	ZINC000852004798	ED	On-Demand	Clean	MTOR	40	44
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ncccn1	ZINC000852004798	ED	On-Demand	Clean	PIK3CG	21	44
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ncccn1	ZINC000852004798	ED	On-Demand	Clean	EPHB4	58	32
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ncccn1	ZINC000852004798	ED	On-Demand	Clean	STAT6	73	42
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ncccn1	ZINC000852004798	ED	On-Demand	Clean	NAMPT	46	41
CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004802	EF	On-Demand	Clean	STAT6	53	35
CN(Cc1cnc[nH]1)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004806	ED	On-Demand	Clean	STAT6	55	34
C=CCCSCCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004813	EF	On-Demand	Mild	STAT6	42	34
O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852004818	GD	On-Demand	Anodyne	NAMPT	17	42
O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852004820	GD	On-Demand	Anodyne	NAMPT	17	42
NC(=O)CC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1	ZINC000852004832	GE	On-Demand	Clean	STAT6	66	39
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cc(Cl)cc(Cl)c1	ZINC000852004849	GH	On-Demand	Clean	AKR1C3	15	48
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cc(Cl)cc(Cl)c1	ZINC000852004849	GH	On-Demand	Clean	STAT6	55	36
O=C(NCc1ccc(N2CCCCC2=O)cc1)NCc1ncccn1	ZINC000852004878	ED	On-Demand	Anodyne	NAMPT	31	41
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852004879	GF	On-Demand	Clean	PIK3CA	28	42
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852004879	GF	On-Demand	Clean	SCN2A	18	45
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852004879	GF	On-Demand	Clean	MTOR	34	42
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852004879	GF	On-Demand	Clean	PIK3CG	15	42
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852004879	GF	On-Demand	Clean	SCN10A	26	50
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852004879	GF	On-Demand	Clean	EPHB4	43	33
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852004879	GF	On-Demand	Clean	STAT6	69	38
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852004879	GF	On-Demand	Clean	NAMPT	42	41
C=CCCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004881	CD	On-Demand	Mild	STAT6	54	37
CCSC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	ZINC000852004900	EF	On-Demand	Clean	STAT6	54	35
CN(C[C@@H]1CCc2ccccc21)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852004902	GG	On-Demand	Clean	STAT6	50	33
N#Cc1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1	ZINC000852004933	FE	On-Demand	Mild	CTSK	23	40
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)Cc3ccccc3)C2)cc1	ZINC000852004941	GF	On-Demand	Clean	DRD4	26	41
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)Cc3ccccc3)C2)cc1	ZINC000852004941	GF	On-Demand	Clean	SIGMAR1	25	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)Cc3ccccc3)C2)cc1	ZINC000852004941	GF	On-Demand	Clean	MTNR1A	26	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)Cc3ccccc3)C2)cc1	ZINC000852004941	GF	On-Demand	Clean	MTNR1B	24	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)Cc3ccccc3)C2)cc1	ZINC000852004941	GF	On-Demand	Clean	MCHR1	23	49
O=C(NCc1ccc(N2CCCCC2=O)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852005008	GG	On-Demand	Anodyne	CACNA1I	47	37
C=CCOCCCNC(=O)NCc1ccc(N2CCCCC2=O)cc1	ZINC000852005032	EF	On-Demand	Mild	HRH2	21	41
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(C2CCC2)CC1	ZINC000852005038	FG	On-Demand	Clean	EPHX2	19	44
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(C2CCC2)CC1	ZINC000852005038	FG	On-Demand	Clean	STAT6	58	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(C2CCC2)CC1	ZINC000852005038	FG	On-Demand	Clean	NAMPT	35	42
O=C1CCCCN1c1ccc(CNC(=O)N2CC3CC2(c2ccccc2)C3)cc1	ZINC000852005059	GI	On-Demand	Anodyne	NPSR1	26	41
COC(=O)N(C)CCNC(=O)NCCN(C)Cc1ccccc1	ZINC000852005065	DD	On-Demand	Anodyne	LTA4H	21	41
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@H]1CCc2cc(F)ccc21	ZINC000852005072	GG	On-Demand	Anodyne	BDKRB1	46	36
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@@H]1CCc2cc(F)ccc21	ZINC000852005074	GG	On-Demand	Anodyne	BDKRB1	46	36
COc1cnccc1N1CCN(CC(F)(F)Br)CC1	ZINC000852005095	EE	On-Demand	Anodyne	HTR1A	62	40
COc1cnccc1N1CCN(CC(F)(F)Br)CC1	ZINC000852005095	EE	On-Demand	Anodyne	DRD2	43	41
COc1cnccc1N1CCN(CC(F)(F)Br)CC1	ZINC000852005095	EE	On-Demand	Anodyne	DRD4	30	41
COc1cnccc1N1CCN(CC(F)(F)Br)CC1	ZINC000852005095	EE	On-Demand	Anodyne	DRD3	44	41
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1SCCS1	ZINC000852005140	FE	On-Demand	Clean	STAT6	42	34
NC(=O)c1csc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)n1	ZINC000852005148	GD	On-Demand	Clean	STAT6	71	41
NC(=O)c1cccc2c1CCN(C(=O)NCc1ccc(N3CCOCC3)cc1)C2	ZINC000852005153	GD	On-Demand	Clean	STAT6	70	41
NC(=O)c1cccc2c1CCN(C(=O)NCc1ccc(N3CCOCC3)cc1)C2	ZINC000852005153	GD	On-Demand	Clean	NAMPT	27	42
O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCC2(CC1)CC2(F)F	ZINC000852005161	GG	On-Demand	Clean	EPHX2	15	46
O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCC2(CC1)CC2(F)F	ZINC000852005161	GG	On-Demand	Clean	STAT6	58	36
C=CCOCCCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005168	ED	On-Demand	Mild	STAT6	46	34
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	HTR1A	84	42
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	DRD2	60	47
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	DRD1	15	46
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	DRD4	37	44
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	ADRA1D	51	40
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	HTR2A	17	46
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	ADRA1A	48	40
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	ADRA1B	38	40
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	DRD3	57	47
COc1cnccc1N1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852005225	FD	On-Demand	Anodyne	HTR7	49	45
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	HTR1A	98	45
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	DRD2	67	45
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	DRD4	43	42
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	ADRA1D	68	42
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	HTR2A	23	43
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	ADRA1A	65	42
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	ADRA1B	53	39
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	DRD3	71	43
COc1cnccc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005226	FC	On-Demand	Anodyne	HTR7	59	41
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	HTR1A	98	45
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	DRD2	67	45
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	DRD4	43	42
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	ADRA1D	68	42
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	HTR2A	23	43
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	ADRA1A	65	42
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	ADRA1B	53	39
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	DRD3	71	43
COc1cnccc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852005227	FC	On-Demand	Anodyne	HTR7	59	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4cc(F)ccc43)C2)cc1	ZINC000852005228	FG	On-Demand	Clean	CCR3	26	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4cc(F)ccc43)C2)cc1	ZINC000852005228	FG	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4cc(F)ccc43)C2)cc1	ZINC000852005229	FG	On-Demand	Clean	CCR3	26	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4cc(F)ccc43)C2)cc1	ZINC000852005229	FG	On-Demand	Clean	MTNR1B	17	45
CC(C)(C)OC(=O)N1C[C@@H]2CN([C@@H]3CCC[C@H]3O)C[C@@H]2C1	ZINC000852005260	CD	On-Demand	Anodyne	GPR119	42	44
O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1COC2(CCC2)C1	ZINC000852005265	EE	On-Demand	Anodyne	NOS2	81	33
O=C(NCc1ccccc1-n1ccnc1)N[C@H]1COC2(CCC2)C1	ZINC000852005267	EE	On-Demand	Anodyne	NOS2	81	33
O=C(NCc1ccc(N2CCOCC2)cc1)NCC(F)(F)c1cccc(F)c1	ZINC000852005269	GG	On-Demand	Clean	STAT6	48	42
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1	ZINC000852005285	GD	On-Demand	Clean	STAT6	56	36
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1	ZINC000852005286	GD	On-Demand	Clean	STAT6	56	36
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005305	FE	On-Demand	Clean	STAT6	46	34
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005306	FE	On-Demand	Clean	STAT6	46	34
COC(=O)N(C)CCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005307	FD	On-Demand	Clean	EPHB4	51	35
C[C@@H](NC(=O)N1CCn2c(nnc2C(C)(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852005311	GH	On-Demand	Anodyne	P2RX7	38	46
C[C@@H](NC(=O)N1CCn2c(nnc2C(C)(C)C)C1)c1ccccc1C(F)(F)F	ZINC000852005311	GH	On-Demand	Anodyne	RBP4	52	38
O=C(NCc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)CC1CC1	ZINC000852005314	GH	On-Demand	Clean	STAT6	58	42
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852005318	GE	On-Demand	Clean	HTR4	44	39
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852005318	GE	On-Demand	Clean	TACR2	22	42
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852005318	GE	On-Demand	Clean	CCR3	22	41
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852005318	GE	On-Demand	Clean	CACNA1I	58	39
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852005318	GE	On-Demand	Clean	STAT6	52	34
C[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccccc1C(F)(F)F	ZINC000852005320	EG	On-Demand	Anodyne	TAAR1	26	43
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852005330	GF	On-Demand	Clean	EPHX2	39	42
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852005330	GF	On-Demand	Clean	STAT6	55	39
CC(C)(C)OC(=O)N1C[C@@H]2CN([C@@H](C#N)c3ccccc3)C[C@@H]2C1	ZINC000852005343	EG	On-Demand	Mild	PTAFR	36	41
CC(C)(C)OC(=O)N1C[C@@H]2CN([C@H](C#N)c3ccccc3)C[C@@H]2C1	ZINC000852005347	EG	On-Demand	Mild	PTAFR	36	41
CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1	ZINC000852005350	GD	On-Demand	Anodyne	CHRM2	19	43
CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1	ZINC000852005350	GD	On-Demand	Anodyne	CHRM3	28	43
CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1	ZINC000852005350	GD	On-Demand	Anodyne	AMY2	54	32
CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1	ZINC000852005354	GD	On-Demand	Anodyne	CHRM2	19	43
CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1	ZINC000852005354	GD	On-Demand	Anodyne	CHRM3	28	43
CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]2C1	ZINC000852005354	GD	On-Demand	Anodyne	AMY2	54	32
C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1C(F)(F)F	ZINC000852005357	EI	On-Demand	Mild	CTSS	23	41
C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1C(F)(F)F	ZINC000852005357	EI	On-Demand	Mild	RBP4	84	39
C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1C(F)(F)F	ZINC000852005357	EI	On-Demand	Mild	SFRP1	95	34
C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1C(F)(F)F	ZINC000852005357	EI	On-Demand	Mild	WNT3	77	34
C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1C(F)(F)F	ZINC000852005360	EI	On-Demand	Mild	CTSS	23	41
C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1C(F)(F)F	ZINC000852005360	EI	On-Demand	Mild	RBP4	84	39
C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1C(F)(F)F	ZINC000852005360	EI	On-Demand	Mild	SFRP1	95	34
C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1C(F)(F)F	ZINC000852005360	EI	On-Demand	Mild	WNT3	77	34
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccccc1C(F)(F)F	ZINC000852005367	FG	On-Demand	Anodyne	TRPV1	18	40
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccccc1C(F)(F)F	ZINC000852005367	FG	On-Demand	Anodyne	MAPK1	50	44
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccccc1C(F)(F)F	ZINC000852005367	FG	On-Demand	Anodyne	RBP4	65	37
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005369	EF	On-Demand	Clean	STAT6	42	33
O=C(NCc1ccc(N2CCOCC2)cc1)NCC(F)(F)c1ccc(F)cc1	ZINC000852005377	GG	On-Demand	Clean	STAT6	50	35
C[C@@H](NC(=O)N1CCOc2ccc(O)cc2C1)c1ccccc1C(F)(F)F	ZINC000852005384	GI	On-Demand	Anodyne	RBP4	57	35
O=C(NCCOCCF)NCc1ccc(N2CCOCC2)cc1	ZINC000852005388	ED	On-Demand	Clean	STAT6	51	33
O=C(NCc1ccccc1-n1ccnc1)N[C@H]1C=CCC1	ZINC000852005405	CE	On-Demand	Anodyne	NOS2	59	31
O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1C=CCC1	ZINC000852005406	CE	On-Demand	Anodyne	NOS2	59	31
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852005449	GE	On-Demand	Clean	STAT6	47	37
O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](CO)c1ccc(F)cc1F	ZINC000852005450	GE	On-Demand	Clean	STAT6	47	37
Cn1cc(CNC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cn1	ZINC000852005493	FE	On-Demand	Anodyne	NAMPT	27	41
CC(C)(C)C(F)(F)CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005494	FG	On-Demand	Clean	STAT6	55	36
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cnccc1C(F)(F)F	ZINC000852005495	GF	On-Demand	Clean	STAT6	63	44
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cnccc1C(F)(F)F	ZINC000852005495	GF	On-Demand	Clean	NAMPT	62	40
COc1cccc(OC)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005508	GF	On-Demand	Clean	HTR1A	22	40
COc1cccc(OC)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005508	GF	On-Demand	Clean	DRD2	19	46
COc1cccc(OC)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005508	GF	On-Demand	Clean	DRD3	25	46
COc1cccc(OC)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005508	GF	On-Demand	Clean	STAT6	55	41
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc2occc2c1	ZINC000852005509	FG	On-Demand	Clean	STAT6	53	35
N#CC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1	ZINC000852005512	FF	On-Demand	Mild	STAT6	51	35
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852005521	FH	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852005521	FH	On-Demand	Clean	NAMPT	30	40
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852005522	FH	On-Demand	Clean	STAT6	53	36
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852005522	FH	On-Demand	Clean	NAMPT	30	40
O=C(NCc1ccc(N2CCOCC2)cc1)NCc1cccc(OC2CC2)c1F	ZINC000852005527	GG	On-Demand	Clean	STAT6	55	38
Cn1cc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cn1	ZINC000852005536	FF	On-Demand	Anodyne	PANC	45	33
Cn1cc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cn1	ZINC000852005536	FF	On-Demand	Anodyne	NAMPT	29	41
C[C@@H](NC(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccccc1C(F)(F)F	ZINC000852005572	GI	On-Demand	Anodyne	RBP4	87	41
C[C@@H](NC(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1C(F)(F)F	ZINC000852005573	GI	On-Demand	Anodyne	RBP4	87	41
CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@@H](O)c3ccccn3)C[C@@H]2C1	ZINC000852005591	ED	On-Demand	Anodyne	GPR119	37	47
CC(C)(C)OC(=O)N1C[C@@H]2CN(C[C@H](O)c3ccccn3)C[C@@H]2C1	ZINC000852005592	ED	On-Demand	Anodyne	GPR119	37	47
O=C(NCc1ccccc1-n1ccnc1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852005604	FE	On-Demand	Anodyne	NOS2	76	34
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005628	GI	On-Demand	Anodyne	HTR4	59	39
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005628	GI	On-Demand	Anodyne	CCR3	30	41
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005628	GI	On-Demand	Anodyne	RBP4	48	35
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005628	GI	On-Demand	Anodyne	CACNA1I	66	42
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005628	GI	On-Demand	Anodyne	SFRP1	71	34
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005628	GI	On-Demand	Anodyne	WNT3	45	32
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005629	GI	On-Demand	Anodyne	HTR4	59	39
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005629	GI	On-Demand	Anodyne	CCR3	30	41
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005629	GI	On-Demand	Anodyne	RBP4	48	35
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005629	GI	On-Demand	Anodyne	CACNA1I	66	42
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005629	GI	On-Demand	Anodyne	SFRP1	71	34
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1C(F)(F)F	ZINC000852005629	GI	On-Demand	Anodyne	WNT3	45	32
CC(C)(C)OC(=O)N1C[C@@H]2CN(CC3=NS(=O)(=O)c4ccccc43)C[C@@H]2C1	ZINC000852005638	GD	On-Demand	Anodyne	GPR119	24	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)c1ccccc1C(F)(F)F	ZINC000852005639	EJ	On-Demand	Mild	RBP4	60	37
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)c1ccccc1C(F)(F)F	ZINC000852005639	EJ	On-Demand	Mild	SFRP1	56	32
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)c1ccccc1C(F)(F)F	ZINC000852005639	EJ	On-Demand	Mild	WNT3	50	32
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)c1ccccc1C(F)(F)F	ZINC000852005640	EJ	On-Demand	Mild	RBP4	60	37
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)c1ccccc1C(F)(F)F	ZINC000852005640	EJ	On-Demand	Mild	SFRP1	56	32
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)c1ccccc1C(F)(F)F	ZINC000852005640	EJ	On-Demand	Mild	WNT3	50	32
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852005641	FE	On-Demand	Anodyne	AMY2	44	31
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852005642	FE	On-Demand	Anodyne	AMY2	44	31
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852005643	FE	On-Demand	Anodyne	AMY2	44	31
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852005644	FE	On-Demand	Anodyne	AMY2	44	31
C[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)c1ccccc1C(F)(F)F	ZINC000852005645	FH	On-Demand	Anodyne	P2RX7	31	41
C[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)c1ccccc1C(F)(F)F	ZINC000852005645	FH	On-Demand	Anodyne	RBP4	64	35
CN(CCNC(=O)NNc1ccc(Cl)cn1)Cc1ccccc1	ZINC000852005660	EE	On-Demand	Reactive	KLKB1	17	42
CN(CCNC(=O)NNc1ccc(Cl)cn1)Cc1ccccc1	ZINC000852005660	EE	On-Demand	Reactive	F10	35	49
CN(CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1	ZINC000852005669	GF	On-Demand	Clean	CACNA1G	41	36
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005676	FE	On-Demand	Clean	EPHB4	51	35
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005676	FE	On-Demand	Clean	STAT6	61	40
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005676	FE	On-Demand	Clean	NAMPT	61	39
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852005682	FD	On-Demand	Clean	STAT6	51	34
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852005682	FD	On-Demand	Clean	L3MBTL3	37	41
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852005682	FD	On-Demand	Clean	NAMPT	30	47
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852005683	FD	On-Demand	Clean	STAT6	51	34
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852005683	FD	On-Demand	Clean	L3MBTL3	37	41
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852005683	FD	On-Demand	Clean	NAMPT	30	47
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852005694	GE	On-Demand	Clean	CCR3	81	38
O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852005695	GE	On-Demand	Clean	CCR3	81	38
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005700	EF	On-Demand	Mild	STAT6	52	35
O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852005711	GD	On-Demand	Clean	STAT6	42	33
O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852005712	GD	On-Demand	Clean	STAT6	42	33
Cn1ncc(C2CCC2)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000852005717	GF	On-Demand	Clean	STAT6	57	34
O=C(NCCCc1ccco1)NCc1ccc(N2CCOCC2)cc1	ZINC000852005724	EF	On-Demand	Clean	STAT6	48	36
C[C@@H](NC(=O)N(C)CC1CN(C)C1)c1ccccc1C(F)(F)F	ZINC000852005761	EF	On-Demand	Anodyne	RBP4	40	36
CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	ZINC000852005783	FE	On-Demand	Bother	GPR119	22	40
Cn1cnc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1	ZINC000852005788	DD	On-Demand	Anodyne	GPR119	26	41
C[C@@H](NC(=O)N1CC2(CCC2)OC[C@H]1C)c1ccccc1C(F)(F)F	ZINC000852005831	FI	On-Demand	Anodyne	WNT3	41	33
C[C@@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)c1ccccc1C(F)(F)F	ZINC000852005865	GH	On-Demand	Anodyne	RBP4	74	37
C[C@@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)c1ccccc1C(F)(F)F	ZINC000852005865	GH	On-Demand	Anodyne	NEK2	42	33
C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccccc1C(F)(F)F	ZINC000852005868	GE	On-Demand	Anodyne	RBP4	80	41
C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccccc1C(F)(F)F	ZINC000852005868	GE	On-Demand	Anodyne	SFRP1	105	37
C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccccc1C(F)(F)F	ZINC000852005868	GE	On-Demand	Anodyne	WNT3	77	37
C[C@@H](NC(=O)N1CCO[C@](C)(C2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852005875	FH	On-Demand	Anodyne	RBP4	68	38
C[C@@H](NC(=O)N1CCO[C@@](C)(C2CC2)C1)c1ccccc1C(F)(F)F	ZINC000852005877	FH	On-Demand	Anodyne	RBP4	68	38
C[C@H](NC(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1)c1ccccc1C(F)(F)F	ZINC000852005887	GJ	On-Demand	Anodyne	RBP4	71	42
C[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)C[C@@H](CC(F)(F)F)O1	ZINC000852005888	GJ	On-Demand	Anodyne	RBP4	71	42
C[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)C[C@H](CC(F)(F)F)O1	ZINC000852005889	GJ	On-Demand	Anodyne	RBP4	71	42
C[C@H](NC(=O)N1C[C@H](CC(F)(F)F)O[C@H](C)C1)c1ccccc1C(F)(F)F	ZINC000852005890	GJ	On-Demand	Anodyne	RBP4	71	42
CNS(=O)(=O)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1	ZINC000852005936	GD	On-Demand	Anodyne	MMP13	16	40
CNS(=O)(=O)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1	ZINC000852005936	GD	On-Demand	Anodyne	TGM2	22	44
CNS(=O)(=O)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1	ZINC000852005936	GD	On-Demand	Anodyne	F13A1	34	44
CNS(=O)(=O)c1ccc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1	ZINC000852005936	GD	On-Demand	Anodyne	GPR119	48	44
C[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)CC[C@@H](C)O1	ZINC000852005951	EH	On-Demand	Anodyne	RBP4	91	45
C[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)CC[C@@H](C)O1	ZINC000852005951	EH	On-Demand	Anodyne	SFRP1	104	35
C[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)CC[C@@H](C)O1	ZINC000852005951	EH	On-Demand	Anodyne	WNT3	77	35
C[C@H]1CN(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)CC[C@@H](C)O1	ZINC000852005952	EH	On-Demand	Anodyne	RBP4	91	45
C[C@H]1CN(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)CC[C@@H](C)O1	ZINC000852005952	EH	On-Demand	Anodyne	SFRP1	104	35
C[C@H]1CN(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)CC[C@@H](C)O1	ZINC000852005952	EH	On-Demand	Anodyne	WNT3	77	35
COc1ccc(OCCCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852005987	GF	On-Demand	Anodyne	HRH2	22	41
COc1ccc(OCCCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852005988	GF	On-Demand	Anodyne	HRH2	22	41
CN(C(=O)[C@H]1CCN(CCOC(F)F)C1)c1ccccc1	ZINC000852005999	CE	On-Demand	Anodyne	SLC6A1	140	44
CN(C(=O)[C@H]1CCN(CCOC(F)F)C1)c1ccccc1	ZINC000852005999	CE	On-Demand	Anodyne	AMY2	45	32
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1	ZINC000852006000	DG	On-Demand	Anodyne	UTS2	41	32
COCCN(CCF)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1	ZINC000852006001	DG	On-Demand	Anodyne	UTS2	41	32
CC(C)c1ccc(CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852006015	FH	On-Demand	Anodyne	TRPV1	17	47
CC(C)c1ccc(CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852006016	FH	On-Demand	Anodyne	TRPV1	17	47
COc1ccc(OCCCNC(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852006017	EC	On-Demand	Reactive	HRH2	21	40
COc1ccc(OCCCNC(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852006017	EC	On-Demand	Reactive	DRD3	24	41
COc1ccc(OCCCNC(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852006017	EC	On-Demand	Reactive	SCNN1A	25	41
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@@H]1CCc2cc(Cl)ccc21	ZINC000852006025	GH	On-Demand	Anodyne	BDKRB1	44	38
CN(C(=O)[C@H]1CCN(CC2=NS(=O)(=O)c3ccccc32)C1)c1ccccc1	ZINC000852006044	GE	On-Demand	Anodyne	KCNA3	28	40
COc1ccc(OCCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1	ZINC000852006062	FF	On-Demand	Anodyne	HRH2	24	40
CSc1ccc(CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852006106	EE	On-Demand	Anodyne	NPSR1	26	40
CSc1ccc(CNC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852006107	EE	On-Demand	Anodyne	NPSR1	26	40
CN(C(=O)[C@H]1CCN(CC[C@@H]2COC(C)(C)O2)C1)c1ccccc1	ZINC000852006119	EF	On-Demand	Anodyne	SLC6A1	74	38
CN(C(=O)[C@H]1CCN(CC[C@@H]2COC(C)(C)O2)C1)c1ccccc1	ZINC000852006119	EF	On-Demand	Anodyne	CCR5	19	40
CN(C(=O)[C@H]1CCN(CC[C@H]2COC(C)(C)O2)C1)c1ccccc1	ZINC000852006121	EF	On-Demand	Anodyne	SLC6A1	74	38
CN(C(=O)[C@H]1CCN(CC[C@H]2COC(C)(C)O2)C1)c1ccccc1	ZINC000852006121	EF	On-Demand	Anodyne	CCR5	19	40
COc1ccc(OCCCNC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852006174	CE	On-Demand	Anodyne	HRH2	24	42
COc1ccc(OCCCNC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852006174	CE	On-Demand	Anodyne	EPHX2	16	43
COc1ccc(OCCCNC(=O)N[C@H]2C=CCC2)cc1	ZINC000852006175	CE	On-Demand	Anodyne	HRH2	24	42
COc1ccc(OCCCNC(=O)N[C@H]2C=CCC2)cc1	ZINC000852006175	CE	On-Demand	Anodyne	EPHX2	16	43
CN(C(=O)[C@H]1CCN(Cc2cccc(F)n2)C1)c1ccccc1	ZINC000852006202	DF	On-Demand	Anodyne	MLNR	35	46
CN(C(=O)[C@H]1CCN(Cc2cccc(F)n2)C1)c1ccccc1	ZINC000852006202	DF	On-Demand	Anodyne	PDE8B	45	33
COc1ccc(OCCCNC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852006210	EE	On-Demand	Anodyne	HRH2	21	40
COc1ccc(OCCCNC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852006210	EE	On-Demand	Anodyne	EPHX2	17	44
COc1ccc(OCCCNC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852006211	EE	On-Demand	Anodyne	HRH2	21	40
COc1ccc(OCCCNC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852006211	EE	On-Demand	Anodyne	EPHX2	17	44
CSc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1	ZINC000852006214	GG	On-Demand	Anodyne	CCR2	18	41
C#C[C@@H](NC(=O)NCCCOc1ccc(OC)cc1)C1CCOCC1	ZINC000852006236	EE	On-Demand	Mild	IKBKE	41	34
C#C[C@H](NC(=O)NCCCOc1ccc(OC)cc1)C1CCOCC1	ZINC000852006237	EE	On-Demand	Mild	IKBKE	41	34
CN(C(=O)[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1)c1ccccc1	ZINC000852006242	FD	On-Demand	Anodyne	AMY2	45	32
CN(C(=O)[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1)c1ccccc1	ZINC000852006242	FD	On-Demand	Anodyne	CYP2J2	52	37
CN(C(=O)[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)c1ccccc1	ZINC000852006245	FD	On-Demand	Anodyne	AMY2	45	32
CN(C(=O)[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)c1ccccc1	ZINC000852006245	FD	On-Demand	Anodyne	CYP2J2	52	37
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(SC)cc3)C2)cc1	ZINC000852006257	FG	On-Demand	Clean	MCHR1	15	50
CN(C(=O)[C@H]1CCN(CC(F)(F)Br)C1)c1ccccc1	ZINC000852006262	EF	On-Demand	Anodyne	SLC6A1	61	37
CN(C(=O)[C@H]1CCN(CC(F)(F)Br)C1)c1ccccc1	ZINC000852006262	EF	On-Demand	Anodyne	CACNA1G	34	41
CN(C(=O)[C@H]1CCN(CC(F)(F)Br)C1)c1ccccc1	ZINC000852006262	EF	On-Demand	Anodyne	CYP2J2	46	33
COc1ccc(OCCCNC(=O)NCc2ncccn2)cc1	ZINC000852006293	DD	On-Demand	Anodyne	HRH2	26	43
COc1ccc(OCCCNC(=O)NCc2ncccn2)cc1	ZINC000852006293	DD	On-Demand	Anodyne	SCNN1A	26	44
COc1ccc(OCCCNC(=O)NCc2ncccn2)cc1	ZINC000852006293	DD	On-Demand	Anodyne	MTNR1A	62	43
COc1ccc(OCCCNC(=O)NCc2ncccn2)cc1	ZINC000852006293	DD	On-Demand	Anodyne	MTNR1B	53	43
CN(C(=O)[C@H]1CCN(C[C@@H](O)c2ccccn2)C1)c1ccccc1	ZINC000852006304	EE	On-Demand	Anodyne	OPRK1	23	41
CN(C(=O)[C@H]1CCN(C[C@H](O)c2ccccn2)C1)c1ccccc1	ZINC000852006306	EE	On-Demand	Anodyne	OPRK1	23	41
COc1ccc(OCCCNC(=O)NCC2SCCS2)cc1	ZINC000852006321	EF	On-Demand	Anodyne	HRH2	23	42
COc1ccc(OCCCNC(=O)NCC2SCCS2)cc1	ZINC000852006321	EF	On-Demand	Anodyne	SCNN1A	21	40
COc1ccc(OCCCNC(=O)NCC2SCCS2)cc1	ZINC000852006321	EF	On-Demand	Anodyne	MTNR1A	48	38
COc1ccc(OCCCNC(=O)NCC2SCCS2)cc1	ZINC000852006321	EF	On-Demand	Anodyne	EPHX2	23	44
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)c(Cl)c1	ZINC000852006335	FG	On-Demand	Anodyne	CACNA1H	41	44
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)c(Cl)c1	ZINC000852006335	FG	On-Demand	Anodyne	MAPK1	59	45
COc1ccc(OCCCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006357	GG	On-Demand	Clean	HRH2	35	45
COc1ccc(OCCCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006357	GG	On-Demand	Clean	HRH3	19	41
COc1ccc(OCCCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006357	GG	On-Demand	Clean	MTNR1A	33	48
COc1ccc(OCCCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006357	GG	On-Demand	Clean	MTNR1B	31	48
COc1ccc(OCCCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006357	GG	On-Demand	Clean	EPHX2	27	45
COc1ccc(OCCCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006357	GG	On-Demand	Clean	MCHR1	15	52
COc1ccc(OCCCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006358	GG	On-Demand	Clean	HRH2	35	45
COc1ccc(OCCCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006358	GG	On-Demand	Clean	HRH3	19	41
COc1ccc(OCCCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006358	GG	On-Demand	Clean	MTNR1A	33	48
COc1ccc(OCCCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006358	GG	On-Demand	Clean	MTNR1B	31	48
COc1ccc(OCCCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006358	GG	On-Demand	Clean	EPHX2	27	45
COc1ccc(OCCCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852006358	GG	On-Demand	Clean	MCHR1	15	52
N#Cc1ccc(CCN2CCC(O)(c3scnc3Br)CC2)cc1	ZINC000852006445	GG	On-Demand	Mild	KCNJ1	23	51
COc1ccc(OCCCNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852006448	FF	On-Demand	Reactive	SCNN1A	30	44
COc1ccc(OCCCNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852006448	FF	On-Demand	Reactive	F10	51	33
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(F)c(Cl)c1	ZINC000852006476	FF	On-Demand	Anodyne	MAPK1	50	41
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)c(Cl)c1	ZINC000852006477	FF	On-Demand	Anodyne	MAPK1	50	41
COCCN(CCF)C(=O)NCc1cccc(OCC(C)C)c1	ZINC000852006525	EF	On-Demand	Anodyne	BACE1	18	40
COCCN(CCF)C(=O)NCc1cccc(OCC(C)C)c1	ZINC000852006525	EF	On-Demand	Anodyne	PDS	83	40
N#C[C@H](c1ccccc1)N1CCC(O)(c2scnc2Br)CC1	ZINC000852006531	GG	On-Demand	Mild	OPRL1	21	43
N#C[C@H](c1ccccc1)N1CCC(O)(c2scnc2Br)CC1	ZINC000852006531	GG	On-Demand	Mild	PTAFR	28	41
N#C[C@@H](c1ccccc1)N1CCC(O)(c2scnc2Br)CC1	ZINC000852006532	GG	On-Demand	Mild	OPRL1	21	43
N#C[C@@H](c1ccccc1)N1CCC(O)(c2scnc2Br)CC1	ZINC000852006532	GG	On-Demand	Mild	PTAFR	28	41
O=C(NCC1CCN(Cc2ncsc2Br)CC1)C(F)(F)F	ZINC000852006547	GF	On-Demand	Anodyne	CACNA1I	60	38
C#CCOCCN1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000852006557	CD	On-Demand	Mild	SLC6A1	134	51
C#CCOCCN1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000852006557	CD	On-Demand	Mild	CCR5	25	41
C#CCOCCN1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000852006557	CD	On-Demand	Mild	CYP2J2	45	32
C#CCOCCN1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000852006558	CD	On-Demand	Mild	SLC6A1	134	51
C#CCOCCN1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000852006558	CD	On-Demand	Mild	CCR5	25	41
C#CCOCCN1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000852006558	CD	On-Demand	Mild	CYP2J2	45	32
COC(=O)N(C)CCNC(=O)NCCCOc1ccc(OC)cc1	ZINC000852006566	ED	On-Demand	Anodyne	FDPS	17	41
COC(=O)N(C)CCNC(=O)NCCCOc1ccc(OC)cc1	ZINC000852006566	ED	On-Demand	Anodyne	HRH2	20	41
COC(=O)N(C)CCNC(=O)NCCCOc1ccc(OC)cc1	ZINC000852006566	ED	On-Demand	Anodyne	SCNN1A	25	42
COC(=O)N(C)CCNC(=O)NCCCOc1ccc(OC)cc1	ZINC000852006566	ED	On-Demand	Anodyne	MTNR1A	50	43
COC(=O)N(C)CCNC(=O)NCCCOc1ccc(OC)cc1	ZINC000852006566	ED	On-Demand	Anodyne	MTNR1B	40	40
O=C(NCC1CCN(CC2CC=CC2)CC1)C(F)(F)F	ZINC000852006570	CE	On-Demand	Anodyne	CACNA1I	66	39
O=C(NCc1ncccn1)NC[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000852006578	ED	On-Demand	Anodyne	GRIN2B	18	40
O=C(NCc1ncccn1)NC[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000852006578	ED	On-Demand	Anodyne	CCR3	27	42
O=C(NCc1ncccn1)NC[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000852006579	ED	On-Demand	Anodyne	GRIN2B	18	40
O=C(NCc1ncccn1)NC[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000852006579	ED	On-Demand	Anodyne	CCR3	27	42
CC[C@@H](C)[C@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852006591	CD	On-Demand	Anodyne	EPHX2	19	43
CC[C@H](C)[C@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852006592	CD	On-Demand	Anodyne	EPHX2	19	43
Cn1cnc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006598	DD	On-Demand	Anodyne	HTR4	52	39
Cn1cnc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006598	DD	On-Demand	Anodyne	CACNA1I	69	40
CC[C@H](C)N(CC(=O)OC)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852006611	DC	On-Demand	Anodyne	AMY2	56	33
CC[C@H](C)N(CC(=O)OC)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852006612	DC	On-Demand	Anodyne	AMY2	56	33
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852006623	GF	On-Demand	Anodyne	SLC6A3	21	41
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852006623	GF	On-Demand	Anodyne	CACNA1I	68	41
N#Cc1ccc(CCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852006637	EE	On-Demand	Mild	HTR4	42	44
N#Cc1ccc(CCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852006637	EE	On-Demand	Mild	HRH3	15	41
N#Cc1ccc(CCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852006637	EE	On-Demand	Mild	SIGMAR1	17	44
N#Cc1ccc(CCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852006637	EE	On-Demand	Mild	CCR3	35	48
N#Cc1ccc(CCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852006637	EE	On-Demand	Mild	CACNA1G	23	44
N#Cc1ccc(CCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852006637	EE	On-Demand	Mild	CACNA1I	65	43
N#Cc1ccc(CCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852006637	EE	On-Demand	Mild	GPBAR1	32	41
N#Cc1ccc(CCN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852006637	EE	On-Demand	Mild	KCNJ1	42	52
O=C(NCC1CCN(CC[C@@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006642	FG	On-Demand	Anodyne	ACHE	21	43
O=C(NCC1CCN(CC[C@@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006642	FG	On-Demand	Anodyne	HTR4	42	41
O=C(NCC1CCN(CC[C@@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006642	FG	On-Demand	Anodyne	NQO2	23	48
O=C(NCC1CCN(CC[C@@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006642	FG	On-Demand	Anodyne	SIGMAR1	21	42
O=C(NCC1CCN(CC[C@@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006642	FG	On-Demand	Anodyne	EBP	23	42
O=C(NCC1CCN(CC[C@@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006642	FG	On-Demand	Anodyne	CACNA1I	59	41
O=C(NCC1CCN(CC[C@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006643	FG	On-Demand	Anodyne	ACHE	21	43
O=C(NCC1CCN(CC[C@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006643	FG	On-Demand	Anodyne	HTR4	42	41
O=C(NCC1CCN(CC[C@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006643	FG	On-Demand	Anodyne	NQO2	23	48
O=C(NCC1CCN(CC[C@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006643	FG	On-Demand	Anodyne	SIGMAR1	21	42
O=C(NCC1CCN(CC[C@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006643	FG	On-Demand	Anodyne	EBP	23	42
O=C(NCC1CCN(CC[C@H]2CCc3ccccc32)CC1)C(F)(F)F	ZINC000852006643	FG	On-Demand	Anodyne	CACNA1I	59	41
O=C(NCC1CCN(Cc2cnon2)CC1)C(F)(F)F	ZINC000852006651	CC	On-Demand	Anodyne	CACNA1I	61	38
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	DRD2	25	46
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	DRD4	19	40
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	ACHE	39	41
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	HRH1	24	42
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	SLC6A3	26	40
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	HTR4	72	43
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	GRIN2B	72	41
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	LTA4H	30	42
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	UGCG	42	33
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	HTR7	15	40
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	SIGMAR1	55	46
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	CCR3	39	46
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	GBA2	60	38
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	CACNA1I	66	42
O=C(NCC1CCN(CCOCc2ccccc2)CC1)C(F)(F)F	ZINC000852006653	EF	On-Demand	Anodyne	CYP2J2	46	32
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)c(Cl)c1	ZINC000852006710	FG	On-Demand	Anodyne	CACNA1H	46	41
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)c(Cl)c1	ZINC000852006710	FG	On-Demand	Anodyne	MAPK1	54	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCc2c(Cl)cccc21	ZINC000852006728	GH	On-Demand	Clean	DRD4	40	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCc2c(Cl)cccc21	ZINC000852006730	GH	On-Demand	Clean	DRD4	40	33
CO[C@@H](CN1CCC(CNC(=O)C(F)(F)F)CC1)C1CCCCC1	ZINC000852006768	FF	On-Demand	Anodyne	CACNA1I	59	38
O=C(NCC1CCN(CCO[C@H]2CC2(F)F)CC1)C(F)(F)F	ZINC000852006798	ED	On-Demand	Anodyne	CACNA1I	51	38
O=C(NCC1CCN(CCO[C@@H]2CC2(F)F)CC1)C(F)(F)F	ZINC000852006799	ED	On-Demand	Anodyne	CACNA1I	51	38
O=C(NCC1CCN(CC=C(Cl)Cl)CC1)C(F)(F)F	ZINC000852006825	DF	On-Demand	Anodyne	CACNA1I	66	40
O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)NNc1ccc(Cl)cn1	ZINC000852006834	FG	On-Demand	Reactive	F10	28	47
O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)NNc1ccc(Cl)cn1	ZINC000852006835	FG	On-Demand	Reactive	F10	28	47
O=C(NCCC1SCCS1)NCC(=O)N1CCCc2ccccc21	ZINC000852006836	FE	On-Demand	Anodyne	AVPR2	36	44
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC(CNC(=O)C(F)(F)F)CC2)C1	ZINC000852006844	GF	On-Demand	Anodyne	CACNA1I	60	37
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC(CNC(=O)C(F)(F)F)CC2)C1	ZINC000852006845	GF	On-Demand	Anodyne	CACNA1I	60	37
Cc1nc(CN2CCC(CNC(=O)C(F)(F)F)CC2)co1	ZINC000852006850	DD	On-Demand	Anodyne	HTR4	49	38
Cc1nc(CN2CCC(CNC(=O)C(F)(F)F)CC2)co1	ZINC000852006850	DD	On-Demand	Anodyne	CACNA1I	68	40
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	DRD2	21	45
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	DRD4	33	45
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	ACHE	51	43
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	HRH2	29	42
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	SLC6A3	27	49
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	HTR4	66	47
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	SIGMAR1	39	41
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	SSTR5	46	34
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	CCR3	62	39
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	CCR2	20	44
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	MCHR1	51	42
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	CACNA1G	44	42
CC(C)c1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852006855	EH	On-Demand	Anodyne	CACNA1I	73	52
C=CCN1CC[C@@H](N(C)C[C@@](O)(C(N)=O)c2ccccc2)C1=O	ZINC000852006857	DC	On-Demand	Mild	AMY2	44	31
C=CCN1CC[C@@H](N(C)C[C@](O)(C(N)=O)c2ccccc2)C1=O	ZINC000852006858	DC	On-Demand	Mild	AMY2	44	31
CN(C(=O)[C@H]1CCN(CC=C(Cl)Cl)C1)c1ccccc1	ZINC000852006862	DG	On-Demand	Anodyne	SLC6A1	87	37
CN(C(=O)[C@H]1CCN(CC=C(Cl)Cl)C1)c1ccccc1	ZINC000852006862	DG	On-Demand	Anodyne	SIGMAR1	22	40
CN(C(=O)[C@H]1CCN(CC=C(Cl)Cl)C1)c1ccccc1	ZINC000852006862	DG	On-Demand	Anodyne	CCR5	33	40
CN(C(=O)[C@H]1CCN(CC=C(Cl)Cl)C1)c1ccccc1	ZINC000852006862	DG	On-Demand	Anodyne	MLNR	15	46
CN(C(=O)[C@H]1CCN(CC=C(Cl)Cl)C1)c1ccccc1	ZINC000852006862	DG	On-Demand	Anodyne	FASN	34	41
CN(C(=O)[C@H]1CCN(CC=C(Cl)Cl)C1)c1ccccc1	ZINC000852006862	DG	On-Demand	Anodyne	CYP2J2	43	31
COC(=O)N(C)CCNC(=O)NCc1cccc(OCC(C)C)c1	ZINC000852006891	EE	On-Demand	Anodyne	HRH2	24	41
COC(=O)N(C)CCNC(=O)NCc1cccc(OCC(C)C)c1	ZINC000852006891	EE	On-Demand	Anodyne	PDS	87	41
C=CCN1CC[C@H](N(C)C[C@](O)(C(N)=O)c2ccccc2)C1=O	ZINC000852006923	DC	On-Demand	Mild	AMY2	44	31
C=CCN1CC[C@H](N(C)C[C@@](O)(C(N)=O)c2ccccc2)C1=O	ZINC000852006925	DC	On-Demand	Mild	AMY2	44	31
O=C(NCC1CCN([C@@H]2CCC[C@H]2O)CC1)C(F)(F)F	ZINC000852006928	CD	On-Demand	Anodyne	SLC18A3	43	51
O=C(NCC1CCN([C@@H]2CCC[C@H]2O)CC1)C(F)(F)F	ZINC000852006928	CD	On-Demand	Anodyne	CACNA1I	59	36
CN(C(=O)[C@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1)c1ccccc1	ZINC000852006934	FF	On-Demand	Anodyne	MAPK1	21	40
CN(C(=O)[C@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1)c1ccccc1	ZINC000852006934	FF	On-Demand	Anodyne	FASN	34	41
CCOP(=O)(OCC)[C@@H](O)CN1Cc2cccnc2C1	ZINC000852006969	DD	On-Demand	Anodyne	ADAM9	60	34
CCOP(=O)(OCC)[C@H](O)CN1Cc2cccnc2C1	ZINC000852006970	DD	On-Demand	Anodyne	ADAM9	60	34
O=C(NCC(=O)N1CCCc2ccccc21)N[C@H]1C=CCC1	ZINC000852006971	CD	On-Demand	Anodyne	AVPR2	42	44
O=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1C=CCC1	ZINC000852006976	CD	On-Demand	Anodyne	AVPR2	42	44
O=C(NCC1CCN([C@@H]2CCCC[C@H]2O)CC1)C(F)(F)F	ZINC000852007010	DD	On-Demand	Anodyne	SLC18A3	46	55
O=C(NCC1CCN([C@@H]2CCCC[C@H]2O)CC1)C(F)(F)F	ZINC000852007010	DD	On-Demand	Anodyne	CACNA1I	59	36
O=C(CN1CCC(CNC(=O)C(F)(F)F)CC1)Nc1cnccn1	ZINC000852007018	EC	On-Demand	Anodyne	CACNA1I	60	38
CC[C@@H](C)[C@H](C)NC(=O)NC[C@@H](O)c1ccccc1OC	ZINC000852007039	CE	On-Demand	Anodyne	SOAT1	27	40
NS(=O)(=O)c1cc(CN2CCC(CNC(=O)C(F)(F)F)CC2)co1	ZINC000852007042	FC	On-Demand	Anodyne	CACNA1I	67	42
C#CCOCCN1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852007043	CD	On-Demand	Mild	CACNA1I	51	38
O=C(NCC1CCN(CCOC(F)F)CC1)C(F)(F)F	ZINC000852007049	DD	On-Demand	Anodyne	CACNA1I	71	43
CCN1CC[C@@H](N2CCC(CNC(=O)C(F)(F)F)CC2)C1=O	ZINC000852007053	DC	On-Demand	Anodyne	CACNA1I	52	33
CCN1CC[C@H](N2CCC(CNC(=O)C(F)(F)F)CC2)C1=O	ZINC000852007054	DC	On-Demand	Anodyne	CACNA1I	52	33
O=C(NCC1CCN(Cc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852007055	FG	On-Demand	Anodyne	HTR1A	17	41
O=C(NCC1CCN(Cc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852007055	FG	On-Demand	Anodyne	DRD2	21	41
O=C(NCC1CCN(Cc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852007055	FG	On-Demand	Anodyne	ACHE	23	53
O=C(NCC1CCN(Cc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852007055	FG	On-Demand	Anodyne	HTR4	55	42
O=C(NCC1CCN(Cc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852007055	FG	On-Demand	Anodyne	CACNA1I	59	38
CC(C)c1ccc(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852007064	FF	On-Demand	Anodyne	TRPV1	24	45
C#C[C@H](NC(=O)NCc1cccc(OCC(C)C)c1)C1CCOCC1	ZINC000852007065	EF	On-Demand	Mild	PDS	63	36
C#C[C@@H](NC(=O)NCc1cccc(OCC(C)C)c1)C1CCOCC1	ZINC000852007066	EF	On-Demand	Mild	PDS	63	36
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1	ZINC000852007102	EF	On-Demand	Anodyne	UTS2	41	32
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1	ZINC000852007103	EF	On-Demand	Anodyne	UTS2	41	32
O[C@@H]1CCC[C@H]1N1CCC(O)(c2scnc2Br)CC1	ZINC000852007152	EE	On-Demand	Anodyne	SLC18A3	31	48
O=C(NCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1)C(F)(F)F	ZINC000852007181	FF	On-Demand	Bother	CCR3	29	40
O=C(NCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1)C(F)(F)F	ZINC000852007181	FF	On-Demand	Bother	CACNA1I	61	38
N#C[C@@H](c1ccccc1)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852007184	EF	On-Demand	Mild	PTAFR	38	44
N#C[C@@H](c1ccccc1)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852007184	EF	On-Demand	Mild	CACNA1I	42	33
N#C[C@H](c1ccccc1)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852007185	EF	On-Demand	Mild	PTAFR	38	44
N#C[C@H](c1ccccc1)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852007185	EF	On-Demand	Mild	CACNA1I	42	33
CO[C@@H](CN1CCC(CNC(=O)C(F)(F)F)CC1)[C@@H]1CCOC1	ZINC000852007187	ED	On-Demand	Anodyne	CACNA1I	41	33
CO[C@@H](CN1CCC(CNC(=O)C(F)(F)F)CC1)[C@H]1CCOC1	ZINC000852007189	ED	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1CCOCc1ccccc1	ZINC000852007198	FG	On-Demand	Anodyne	GBA2	50	37
Cn1nccc1[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852007199	ED	On-Demand	Anodyne	AMY2	45	31
Cn1nccc1[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852007199	ED	On-Demand	Anodyne	CYP2J2	47	34
Cn1nccc1[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852007200	ED	On-Demand	Anodyne	AMY2	45	31
Cn1nccc1[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852007200	ED	On-Demand	Anodyne	CYP2J2	47	34
Cn1nccc1[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852007201	ED	On-Demand	Anodyne	AMY2	45	31
Cn1nccc1[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852007201	ED	On-Demand	Anodyne	CYP2J2	47	34
Cn1nccc1[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852007202	ED	On-Demand	Anodyne	AMY2	45	31
Cn1nccc1[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852007202	ED	On-Demand	Anodyne	CYP2J2	47	34
O=C(NCC1CCN(CCSc2ccc(F)cc2F)CC1)C(F)(F)F	ZINC000852007214	GG	On-Demand	Anodyne	CACNA1I	68	40
O=C1CC[C@@H](CN2CCC(CNC(=O)C(F)(F)F)CC2)O1	ZINC000852007215	DD	On-Demand	Anodyne	CACNA1I	54	35
O=C1CC[C@H](CN2CCC(CNC(=O)C(F)(F)F)CC2)O1	ZINC000852007216	DD	On-Demand	Anodyne	CACNA1I	54	35
O=C(NCC[S@@](=O)CC(F)(F)F)NCC(=O)N1CCCc2ccccc21	ZINC000852007218	GD	On-Demand	Anodyne	AVPR2	35	43
O=C(NCC[S@](=O)CC(F)(F)F)NCC(=O)N1CCCc2ccccc21	ZINC000852007219	GD	On-Demand	Anodyne	AVPR2	35	43
O=C(NCC1CCN(CC2C[C@@H]3C[C@H]3C2)CC1)C(F)(F)F	ZINC000852007221	DE	On-Demand	Anodyne	CACNA1I	56	36
O=C(NCC1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)CC1)C(F)(F)F	ZINC000852007222	DE	On-Demand	Anodyne	CACNA1I	56	36
O=C(NCC1CCN(CC2C[C@H]3C[C@@H]3C2)CC1)C(F)(F)F	ZINC000852007223	DE	On-Demand	Anodyne	CACNA1I	56	36
CC(=O)c1[nH]c(CCN2CCC(CNC(=O)C(F)(F)F)CC2)nc1C	ZINC000852007257	FD	On-Demand	Anodyne	CACNA1I	57	39
COc1ccc(OCCCNC(=O)NCCC2SCCS2)cc1	ZINC000852007280	FF	On-Demand	Anodyne	ADRB1	15	42
COc1ccc(OCCCNC(=O)NCCC2SCCS2)cc1	ZINC000852007280	FF	On-Demand	Anodyne	HRH2	23	42
COc1ccc(OCCCNC(=O)NCCC2SCCS2)cc1	ZINC000852007280	FF	On-Demand	Anodyne	SCNN1A	21	40
COc1ccc(OCCCNC(=O)NCCC2SCCS2)cc1	ZINC000852007280	FF	On-Demand	Anodyne	MTNR1A	46	39
COc1ccc(OCCCNC(=O)NCCC2SCCS2)cc1	ZINC000852007280	FF	On-Demand	Anodyne	EPHX2	17	41
CN(C(=O)[C@H]1CCN(CCn2cnc(Br)n2)C1)c1ccccc1	ZINC000852007297	GE	On-Demand	Anodyne	SLC6A1	69	38
COc1ccc(OCCCNC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852007298	GE	On-Demand	Anodyne	MMP13	15	42
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000852007325	GF	On-Demand	Anodyne	OPRK1	22	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000852007325	GF	On-Demand	Anodyne	AMY2	44	30
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000852007326	GF	On-Demand	Anodyne	OPRK1	22	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000852007326	GF	On-Demand	Anodyne	AMY2	44	30
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000852007327	GF	On-Demand	Anodyne	OPRK1	22	40
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000852007327	GF	On-Demand	Anodyne	AMY2	44	30
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000852007328	GF	On-Demand	Anodyne	OPRK1	22	40
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000852007328	GF	On-Demand	Anodyne	AMY2	44	30
CC[C@H](C)[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852007329	DG	On-Demand	Clean	MTNR1B	17	50
CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852007331	DG	On-Demand	Clean	MTNR1B	17	50
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1)C(C)C	ZINC000852007351	GE	On-Demand	Reactive	SIGMAR1	15	40
O=C(CN1CCC(CNC(=O)C(F)(F)F)CC1)Nc1ccc(Cl)nc1	ZINC000852007359	GE	On-Demand	Anodyne	CACNA1I	69	41
O=C(NCC1CCN(CCn2cnc(Br)n2)CC1)C(F)(F)F	ZINC000852007371	GD	On-Demand	Anodyne	CACNA1I	72	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCc3ccoc3)C2)CC1	ZINC000852007378	GH	On-Demand	Anodyne	GPR119	43	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCc3ccoc3)C2)CC1	ZINC000852007380	GH	On-Demand	Anodyne	GPR119	43	44
Cn1nccc1[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)nc1	ZINC000852007397	EF	On-Demand	Anodyne	HTR2A	18	42
Cn1nccc1[C@H]1CCCCN1CC(=O)Nc1ccc(Cl)nc1	ZINC000852007399	EF	On-Demand	Anodyne	HTR2A	18	42
COC(=O)c1ccc2nc(CN3CCC(CNC(=O)C(F)(F)F)CC3)[nH]c2c1	ZINC000852007422	GE	On-Demand	Anodyne	DRD4	16	41
COC(=O)c1ccc2nc(CN3CCC(CNC(=O)C(F)(F)F)CC3)[nH]c2c1	ZINC000852007422	GE	On-Demand	Anodyne	HTR4	50	35
COC(=O)c1ccc2nc(CN3CCC(CNC(=O)C(F)(F)F)CC3)[nH]c2c1	ZINC000852007422	GE	On-Demand	Anodyne	GRIN2B	24	47
COC(=O)c1ccc2nc(CN3CCC(CNC(=O)C(F)(F)F)CC3)[nH]c2c1	ZINC000852007422	GE	On-Demand	Anodyne	CCR3	20	40
COC(=O)c1ccc2nc(CN3CCC(CNC(=O)C(F)(F)F)CC3)[nH]c2c1	ZINC000852007422	GE	On-Demand	Anodyne	CACNA1I	66	38
CC[C@@H](C)[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852007423	GE	On-Demand	Reactive	SIGMAR1	16	40
CC[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852007426	GE	On-Demand	Reactive	SIGMAR1	16	40
COC(=O)c1ccc2nc(CN3CC[C@H](c4ccccn4)C3)[nH]c2c1	ZINC000852007428	EF	On-Demand	Anodyne	DRD4	31	59
COC(=O)c1ccc2nc(CN3CC[C@H](c4ccccn4)C3)[nH]c2c1	ZINC000852007428	EF	On-Demand	Anodyne	GRIN2B	16	43
COC(=O)c1ccc2nc(CN3CC[C@H](c4ccccn4)C3)[nH]c2c1	ZINC000852007428	EF	On-Demand	Anodyne	CXCR4	23	45
COC(=O)c1ccc2nc(CN3CC[C@@H](c4ccccn4)C3)[nH]c2c1	ZINC000852007429	EF	On-Demand	Anodyne	DRD4	31	59
COC(=O)c1ccc2nc(CN3CC[C@@H](c4ccccn4)C3)[nH]c2c1	ZINC000852007429	EF	On-Demand	Anodyne	GRIN2B	16	43
COC(=O)c1ccc2nc(CN3CC[C@@H](c4ccccn4)C3)[nH]c2c1	ZINC000852007429	EF	On-Demand	Anodyne	CXCR4	23	45
O=C(NCC1CCN(CC(F)(F)Br)CC1)C(F)(F)F	ZINC000852007466	FE	On-Demand	Anodyne	CACNA1I	69	40
O=C(NCC(=O)N1CCCc2ccccc21)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852007481	GE	On-Demand	Anodyne	AVPR2	34	45
O=C(NCC1CCN(C[C@@H](O)c2ccccn2)CC1)C(F)(F)F	ZINC000852007514	ED	On-Demand	Anodyne	HTR4	52	43
O=C(NCC1CCN(C[C@@H](O)c2ccccn2)CC1)C(F)(F)F	ZINC000852007514	ED	On-Demand	Anodyne	CACNA1I	67	40
O=C(NCC1CCN(C[C@H](O)c2ccccn2)CC1)C(F)(F)F	ZINC000852007515	ED	On-Demand	Anodyne	HTR4	52	43
O=C(NCC1CCN(C[C@H](O)c2ccccn2)CC1)C(F)(F)F	ZINC000852007515	ED	On-Demand	Anodyne	CACNA1I	67	40
COCCN(CCF)C(=O)NCC(=O)N1CCCc2ccccc21	ZINC000852007516	ED	On-Demand	Anodyne	AVPR2	43	40
CNS(=O)(=O)c1ccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852007528	GD	On-Demand	Anodyne	DRD4	18	41
CNS(=O)(=O)c1ccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852007528	GD	On-Demand	Anodyne	ACHE	39	42
CNS(=O)(=O)c1ccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852007528	GD	On-Demand	Anodyne	HTR4	49	41
CNS(=O)(=O)c1ccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852007528	GD	On-Demand	Anodyne	SIGMAR1	33	42
CNS(=O)(=O)c1ccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852007528	GD	On-Demand	Anodyne	CACNA1G	26	40
CNS(=O)(=O)c1ccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852007528	GD	On-Demand	Anodyne	CACNA1I	79	46
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NCc3ccoc3)CC2)C1	ZINC000852007543	GH	On-Demand	Anodyne	GPR119	33	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NCc3ccoc3)CC2)C1	ZINC000852007544	GH	On-Demand	Anodyne	GPR119	33	41
NC(=O)[C@](O)(CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1ccccc1	ZINC000852007569	ED	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@](O)(CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O)c1ccccc1	ZINC000852007570	ED	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@](O)(CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1ccccc1	ZINC000852007572	ED	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@](O)(CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1ccccc1	ZINC000852007575	ED	On-Demand	Anodyne	AMY2	43	30
O=C(NCC1CCN(CCSc2cccc(Cl)c2)CC1)C(F)(F)F	ZINC000852007588	GH	On-Demand	Anodyne	DRD3	15	42
O=C(NCC1CCN(CCSc2cccc(Cl)c2)CC1)C(F)(F)F	ZINC000852007588	GH	On-Demand	Anodyne	HTR4	43	36
O=C(NCC1CCN(CCSc2cccc(Cl)c2)CC1)C(F)(F)F	ZINC000852007588	GH	On-Demand	Anodyne	CACNA1I	87	51
CNS(=O)(=O)c1ccc(CN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852007593	ED	On-Demand	Anodyne	DRD4	40	42
CNS(=O)(=O)c1ccc(CN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852007593	ED	On-Demand	Anodyne	AKT2	42	38
CNS(=O)(=O)c1ccc(CN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852007595	ED	On-Demand	Anodyne	DRD4	40	42
CNS(=O)(=O)c1ccc(CN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852007595	ED	On-Demand	Anodyne	AKT2	42	38
CCOP(=O)(OCC)[C@@H](O)CN1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852007605	GD	On-Demand	Anodyne	CACNA1I	62	40
CCOP(=O)(OCC)[C@H](O)CN1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852007606	GD	On-Demand	Anodyne	CACNA1I	62	40
CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3CC[C@H](c4ccccn4)C3)O2)C1	ZINC000852007609	FG	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3CC[C@@H](c4ccccn4)C3)O2)C1	ZINC000852007611	FG	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3CC[C@H](c4ccccn4)C3)O2)C1	ZINC000852007612	FG	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3CC[C@@H](c4ccccn4)C3)O2)C1	ZINC000852007613	FG	On-Demand	Anodyne	GPR119	22	43
c1ccc([C@@H]2CCN(Cc3nsc4ccccc34)C2)nc1	ZINC000852007615	CH	On-Demand	Anodyne	DRD2	18	44
c1ccc([C@H]2CCN(Cc3nsc4ccccc34)C2)nc1	ZINC000852007616	CH	On-Demand	Anodyne	DRD2	18	44
O=C(NCC(=O)N1CCCc2ccccc21)NCc1ncccn1	ZINC000852007626	ED	On-Demand	Anodyne	AVPR2	41	50
O=C(NCC1CCN(Cc2cc(F)ccc2OC(F)F)CC1)C(F)(F)F	ZINC000852007628	GG	On-Demand	Anodyne	CCR3	43	38
O=C(NCC1CCN(Cc2cc(F)ccc2OC(F)F)CC1)C(F)(F)F	ZINC000852007628	GG	On-Demand	Anodyne	CACNA1G	31	40
O=C(NCC1CCN(Cc2cc(F)ccc2OC(F)F)CC1)C(F)(F)F	ZINC000852007628	GG	On-Demand	Anodyne	CACNA1I	68	39
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1CC(=O)Nc1ccc(Cl)nc1	ZINC000852007630	GF	On-Demand	Anodyne	AURKB	15	40
O=C(NCC1CCN(Cc2cc(C3CC3)no2)CC1)C(F)(F)F	ZINC000852007634	EE	On-Demand	Anodyne	CACNA1I	65	37
O[C@@H](CN1CCC(F)(c2ccc(Cl)cc2)CC1)c1ccccn1	ZINC000852007667	EH	On-Demand	Anodyne	CCR1	31	48
O[C@H](CN1CCC(F)(c2ccc(Cl)cc2)CC1)c1ccccn1	ZINC000852007669	EH	On-Demand	Anodyne	CCR1	31	48
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	DRD4	48	36
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	DRD3	15	45
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	HTR4	53	36
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	GRIN2B	15	41
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	CCR3	32	44
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	MTNR1A	28	48
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	MTNR1B	28	48
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	CACNA1G	23	42
COc1cccc(SCCN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852007686	GG	On-Demand	Anodyne	CACNA1I	68	41
O=C(NCC1CCN(CCC2CCC2)CC1)C(F)(F)F	ZINC000852007692	CF	On-Demand	Anodyne	HTR4	31	45
O=C(NCC1CCN(CCC2CCC2)CC1)C(F)(F)F	ZINC000852007692	CF	On-Demand	Anodyne	CACNA1I	63	49
CO[C@@H](CN1CCC(CNC(=O)C(F)(F)F)CC1)C1CCC1	ZINC000852007725	DE	On-Demand	Anodyne	CACNA1I	60	39
C1COC(CCN2CCC[C@H](N3CCOCC3)CC2)OC1	ZINC000852007741	CD	On-Demand	Anodyne	L3MBTL3	39	42
C1COC(CCN2CCC[C@@H](N3CCOCC3)CC2)OC1	ZINC000852007742	CD	On-Demand	Anodyne	L3MBTL3	39	42
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)N[C@H]1C=CCC1	ZINC000852007749	ED	On-Demand	Anodyne	EPHX2	18	45
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)N[C@@H]1C=CCC1	ZINC000852007750	ED	On-Demand	Anodyne	EPHX2	18	45
O=S(=O)(CCN1CCC[C@H](N2CCOCC2)CC1)Cc1ccccc1	ZINC000852007767	FD	On-Demand	Anodyne	L3MBTL3	56	45
O=S(=O)(CCN1CCC[C@@H](N2CCOCC2)CC1)Cc1ccccc1	ZINC000852007768	FD	On-Demand	Anodyne	L3MBTL3	56	45
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852007785	FD	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)N[C@H]1COC2(CCC2)C1	ZINC000852007786	FD	On-Demand	Anodyne	EPHX2	15	43
c1cc2nonc2cc1CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852007825	DD	On-Demand	Anodyne	L3MBTL3	45	43
c1cc2nonc2cc1CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852007826	DD	On-Demand	Anodyne	L3MBTL3	45	43
COc1cc(CN2CC[C@@H](c3ccccn3)C2)sn1	ZINC000852007844	CF	On-Demand	Anodyne	DRD4	18	43
COc1cc(CN2CC[C@H](c3ccccn3)C2)sn1	ZINC000852007845	CF	On-Demand	Anodyne	DRD4	18	43
O=C(NCC1CCN(Cc2cccc(F)c2OC(F)F)CC1)C(F)(F)F	ZINC000852007933	GG	On-Demand	Anodyne	HTR4	49	38
O=C(NCC1CCN(Cc2cccc(F)c2OC(F)F)CC1)C(F)(F)F	ZINC000852007933	GG	On-Demand	Anodyne	CACNA1I	65	41
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](c2ccccn2)C1	ZINC000852007934	EG	On-Demand	Anodyne	SLC6A3	18	42
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](c2ccccn2)C1	ZINC000852007934	EG	On-Demand	Anodyne	AKT3	41	33
COCCN(CCF)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1	ZINC000852007937	FE	On-Demand	Anodyne	KCNA3	40	36
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[C@H](c2ccccn2)C1	ZINC000852007938	EG	On-Demand	Anodyne	SLC6A3	18	42
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[C@H](c2ccccn2)C1	ZINC000852007938	EG	On-Demand	Anodyne	AKT3	41	33
COc1cccc(SCCN2CCCC3(CCN(C)CC3)C2)c1	ZINC000852007942	EH	On-Demand	Anodyne	EBP	37	41
O=C1CCC2=C(CCN(C(=O)NCC3CCN(Cc4ccccc4)CC3)C2)N1	ZINC000852007943	GE	On-Demand	Anodyne	DRD2	15	43
O=C1CCC2=C(CCN(C(=O)NCC3CCN(Cc4ccccc4)CC3)C2)N1	ZINC000852007943	GE	On-Demand	Anodyne	DRD4	36	43
O=C1CCC2=C(CCN(C(=O)NCC3CCN(Cc4ccccc4)CC3)C2)N1	ZINC000852007943	GE	On-Demand	Anodyne	ACHE	49	46
O=C1CCC2=C(CCN(C(=O)NCC3CCN(Cc4ccccc4)CC3)C2)N1	ZINC000852007943	GE	On-Demand	Anodyne	HTR4	34	42
O=C1CCC2=C(CCN(C(=O)NCC3CCN(Cc4ccccc4)CC3)C2)N1	ZINC000852007943	GE	On-Demand	Anodyne	GRIN2B	41	34
O=C1CCC2=C(CCN(C(=O)NCC3CCN(Cc4ccccc4)CC3)C2)N1	ZINC000852007943	GE	On-Demand	Anodyne	SIGMAR1	53	42
O=C1CCC2=C(CCN(C(=O)NCC3CCN(Cc4ccccc4)CC3)C2)N1	ZINC000852007943	GE	On-Demand	Anodyne	CACNA1I	43	38
C[C@H]1C[C@@H](C)CN(CCN2CCC(CNC(=O)C(F)(F)F)CC2)C1	ZINC000852007947	EE	On-Demand	Anodyne	CACNA1I	70	41
CC[C@@H](CC(F)F)CN1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852007954	EG	On-Demand	Anodyne	CACNA1I	61	42
CSc1ccc([C@H](C)NC[C@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852007958	EE	On-Demand	Anodyne	KIF11	21	44
CCOC(=O)c1c(CN2CCC(CNC(=O)C(F)(F)F)CC2)n[nH]c1C	ZINC000852007959	GD	On-Demand	Anodyne	CACNA1I	52	33
CSc1ccc([C@H](C)NC[C@@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852007965	EE	On-Demand	Anodyne	KIF11	21	44
C#CCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852007979	BD	On-Demand	Mild	L3MBTL3	43	46
C#CCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852007981	BD	On-Demand	Mild	L3MBTL3	43	46
O=C(NCC1CCN(Cc2nnc(C(F)(F)F)s2)CC1)C(F)(F)F	ZINC000852007997	GE	On-Demand	Anodyne	CACNA1I	59	37
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[C@@H]2NC(=O)OC[C@H]2C1	ZINC000852008002	ED	On-Demand	Anodyne	SLC6A3	15	41
O=C(NCC1CCN(C[C@@H]2CCC[C@@H](O)C2)CC1)C(F)(F)F	ZINC000852008021	DD	On-Demand	Anodyne	CACNA1I	53	34
O=C(NCC1CCN(C[C@@H]2CCC[C@H](O)C2)CC1)C(F)(F)F	ZINC000852008024	DD	On-Demand	Anodyne	CACNA1I	53	34
O=C(NCC1CCN(C[C@H]2CCC[C@@H](O)C2)CC1)C(F)(F)F	ZINC000852008025	DD	On-Demand	Anodyne	CACNA1I	53	34
O=C(NCC1CCN(C[C@H]2CCC[C@H](O)C2)CC1)C(F)(F)F	ZINC000852008028	DD	On-Demand	Anodyne	CACNA1I	53	34
O=c1cc(CN2CCC[C@H](N3CCOCC3)CC2)c2ccc(O)cc2o1	ZINC000852008032	FE	On-Demand	Anodyne	HSD17B3	32	48
O=c1cc(CN2CCC[C@@H](N3CCOCC3)CC2)c2ccc(O)cc2o1	ZINC000852008036	FE	On-Demand	Anodyne	HSD17B3	32	48
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852008052	FC	On-Demand	Reactive	DRD4	15	43
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852008052	FC	On-Demand	Reactive	L3MBTL3	72	38
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852008052	FC	On-Demand	Reactive	KCNK3	49	34
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852008052	FC	On-Demand	Reactive	KCNK9	40	34
C#C[C@H](NC(=O)NCC(=O)N1CCCc2ccccc21)C1CCOCC1	ZINC000852008053	FD	On-Demand	Mild	AVPR2	36	42
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852008055	FC	On-Demand	Reactive	DRD4	15	43
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852008055	FC	On-Demand	Reactive	L3MBTL3	72	38
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852008055	FC	On-Demand	Reactive	KCNK3	49	34
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852008055	FC	On-Demand	Reactive	KCNK9	40	34
C#C[C@@H](NC(=O)NCC(=O)N1CCCc2ccccc21)C1CCOCC1	ZINC000852008056	FD	On-Demand	Mild	AVPR2	36	42
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NCc1ncccn1	ZINC000852008058	FC	On-Demand	Anodyne	PARP1	16	50
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NCc1ncccn1	ZINC000852008058	FC	On-Demand	Anodyne	EPHX2	19	46
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NCc1ncccn1	ZINC000852008058	FC	On-Demand	Anodyne	NAMPT	25	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	CHRM2	17	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	DRD2	18	48
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	DRD4	39	48
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	ACHE	52	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	HRH2	15	40
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	HTR4	44	43
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	CHRM3	20	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	SIGMAR1	73	46
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	BCHE	17	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	EPHX2	16	57
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	MCHR1	25	42
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	CACNA1G	16	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	CACNA1I	59	39
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852008072	FF	On-Demand	Anodyne	NPFFR1	40	36
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	CHRM2	17	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	DRD2	18	48
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	DRD4	39	48
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	ACHE	52	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	HRH2	15	40
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	HTR4	44	43
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	CHRM3	20	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	SIGMAR1	73	46
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	BCHE	17	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	EPHX2	16	57
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	MCHR1	25	42
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	CACNA1G	16	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	CACNA1I	59	39
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852008076	FF	On-Demand	Anodyne	NPFFR1	40	36
O=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1COC2(CCC2)C1	ZINC000852008097	ED	On-Demand	Anodyne	AVPR2	34	41
O=C(NCc1ncccn1)NCC1(c2cccc(F)c2)CCCCC1	ZINC000852008098	EG	On-Demand	Anodyne	NMBR	49	32
O=C(NCC(=O)N1CCCc2ccccc21)N[C@H]1COC2(CCC2)C1	ZINC000852008099	ED	On-Demand	Anodyne	AVPR2	34	41
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1ccccc1Cl	ZINC000852008100	GD	On-Demand	Reactive	L3MBTL3	103	42
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1ccccc1Cl	ZINC000852008110	GD	On-Demand	Reactive	L3MBTL3	103	42
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnc2ccccc2n1	ZINC000852008116	FG	On-Demand	Anodyne	ACACB	15	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852008121	FG	On-Demand	Clean	EPHX2	31	64
N#C[C@@H](c1ccc(Cl)cc1)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852008124	FG	On-Demand	Mild	CACNA1I	61	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852008138	FG	On-Demand	Clean	EPHX2	31	64
O=C1OCCN1CCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852008140	CC	On-Demand	Anodyne	L3MBTL3	39	42
O=C1OCCN1CCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852008141	CC	On-Demand	Anodyne	L3MBTL3	39	42
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	CHRM2	21	45
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	DRD2	29	52
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	DRD4	62	52
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	ACHE	63	56
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	HRH2	24	43
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	HRH1	21	40
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	DRD3	20	52
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	SLC6A3	17	43
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	KCNH2	15	44
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	HTR4	66	50
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	GRIN2B	67	44
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	LTA4H	36	40
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	HRH3	21	46
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	SIGMAR1	84	51
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	SSTR5	65	39
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	BCHE	23	43
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	CCR3	56	44
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	FAAH	30	46
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	EPHX2	18	61
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	CXCR3	27	40
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	MCHR1	37	41
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	CACNA1G	27	40
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	CACNA1I	66	44
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852008142	EE	On-Demand	Anodyne	NPFFR1	42	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852008143	FG	On-Demand	Clean	EPHX2	31	64
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852008147	FG	On-Demand	Clean	EPHX2	31	64
N#C[C@H](c1ccc(Cl)cc1)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852008153	FG	On-Demand	Mild	CACNA1I	61	38
Cc1nc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c(C)o1	ZINC000852008171	DE	On-Demand	Anodyne	PDE8B	52	36
Cc1nc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c(C)o1	ZINC000852008171	DE	On-Demand	Anodyne	CACNA1I	61	37
Cc1ccncc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852008172	CD	On-Demand	Anodyne	DRD4	25	41
Cc1ccncc1N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852008172	CD	On-Demand	Anodyne	ABCB1	40	38
Cc1ccncc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852008174	CD	On-Demand	Anodyne	DRD4	25	41
Cc1ccncc1N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852008174	CD	On-Demand	Anodyne	ABCB1	40	38
CC(C)(C)OC(=O)N1CCO[C@@H](CN2Cc3cccnc3C2)C1	ZINC000852008186	DE	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCO[C@H](CN2Cc3cccnc3C2)C1	ZINC000852008187	DE	On-Demand	Anodyne	GPR119	30	41
COC(=O)N(C)CCNC(=O)NCC(=O)N1CCCc2ccccc21	ZINC000852008189	EC	On-Demand	Anodyne	AVPR2	45	46
CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)nc2)CCCO1	ZINC000852008192	CE	On-Demand	Anodyne	DRD4	15	40
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852008223	CD	On-Demand	Anodyne	EPHX2	22	45
COC(=O)N(C)CCNC(=O)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852008225	CD	On-Demand	Anodyne	EPHX2	22	45
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852008227	CD	On-Demand	Anodyne	EPHX2	22	45
COC(=O)N(C)CCNC(=O)N[C@H]1C[C@H]1c1ccccc1	ZINC000852008229	CD	On-Demand	Anodyne	EPHX2	22	45
c1ccc([C@H]2CCN(CCCC3CCC3)C2)nc1	ZINC000852008231	BG	On-Demand	Anodyne	DRD2	18	45
c1ccc([C@H]2CCN(CCCC3CCC3)C2)nc1	ZINC000852008231	BG	On-Demand	Anodyne	DRD4	16	43
c1ccc([C@H]2CCN(CCCC3CCC3)C2)nc1	ZINC000852008231	BG	On-Demand	Anodyne	NPY1R	43	37
c1ccc([C@@H]2CCN(CCCC3CCC3)C2)nc1	ZINC000852008234	BG	On-Demand	Anodyne	DRD2	18	45
c1ccc([C@@H]2CCN(CCCC3CCC3)C2)nc1	ZINC000852008234	BG	On-Demand	Anodyne	DRD4	16	43
c1ccc([C@@H]2CCN(CCCC3CCC3)C2)nc1	ZINC000852008234	BG	On-Demand	Anodyne	NPY1R	43	37
CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852008235	DB	On-Demand	Anodyne	JAK3	17	52
CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852008235	DB	On-Demand	Anodyne	NAMPT	25	40
NC(=O)[C@@](O)(CN1CC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852008245	DD	On-Demand	Anodyne	CHRM2	18	40
NC(=O)[C@@](O)(CN1CC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852008245	DD	On-Demand	Anodyne	CHRM1	18	40
NC(=O)[C@@](O)(CN1CC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852008245	DD	On-Demand	Anodyne	CHRM3	28	40
NC(=O)[C@@](O)(CN1CC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852008245	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@](O)(CN1CC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852008246	DD	On-Demand	Anodyne	CHRM2	18	40
NC(=O)[C@](O)(CN1CC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852008246	DD	On-Demand	Anodyne	CHRM1	18	40
NC(=O)[C@](O)(CN1CC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852008246	DD	On-Demand	Anodyne	CHRM3	28	40
NC(=O)[C@](O)(CN1CC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852008246	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@](O)(CN1CC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852008247	DD	On-Demand	Anodyne	CHRM2	18	40
NC(=O)[C@](O)(CN1CC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852008247	DD	On-Demand	Anodyne	CHRM1	18	40
NC(=O)[C@](O)(CN1CC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852008247	DD	On-Demand	Anodyne	CHRM3	28	40
NC(=O)[C@](O)(CN1CC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852008247	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@@](O)(CN1CC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852008248	DD	On-Demand	Anodyne	CHRM2	18	40
NC(=O)[C@@](O)(CN1CC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852008248	DD	On-Demand	Anodyne	CHRM1	18	40
NC(=O)[C@@](O)(CN1CC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852008248	DD	On-Demand	Anodyne	CHRM3	28	40
NC(=O)[C@@](O)(CN1CC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852008248	DD	On-Demand	Anodyne	CYP2J2	46	32
C#C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1)C1CCOCC1	ZINC000852008261	CE	On-Demand	Mild	EPHX2	19	46
C#C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1)C1CCOCC1	ZINC000852008263	CE	On-Demand	Mild	EPHX2	19	46
C#C[C@H](NC(=O)N[C@H]1C[C@H]1c1ccccc1)C1CCOCC1	ZINC000852008266	CE	On-Demand	Mild	EPHX2	19	46
Cc1ccncc1N1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852008267	GE	On-Demand	Anodyne	GPR119	33	48
C#C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1)C1CCOCC1	ZINC000852008268	CE	On-Demand	Mild	EPHX2	19	46
Cc1ccncc1N1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1	ZINC000852008270	GE	On-Demand	Anodyne	GPR119	33	48
O=C(NCC1SCCS1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852008288	CF	On-Demand	Anodyne	EPHX2	26	47
O=C(NCC1SCCS1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852008289	CF	On-Demand	Anodyne	EPHX2	26	47
O=C(NCC1SCCS1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852008290	CF	On-Demand	Anodyne	EPHX2	26	47
O=C(NCC1SCCS1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852008291	CF	On-Demand	Anodyne	EPHX2	26	47
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852008292	GE	On-Demand	Anodyne	NOS2	106	40
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852008316	EC	On-Demand	Reactive	EPHX2	21	44
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852008317	EC	On-Demand	Reactive	EPHX2	21	44
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852008318	EC	On-Demand	Reactive	EPHX2	21	44
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852008319	EC	On-Demand	Reactive	EPHX2	21	44
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C2	ZINC000852008320	FG	On-Demand	Anodyne	EPHX2	22	40
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C2	ZINC000852008321	FG	On-Demand	Anodyne	EPHX2	22	40
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C2	ZINC000852008322	FG	On-Demand	Anodyne	EPHX2	22	40
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)N[C@H]1C[C@H]1c1ccccc1)C2	ZINC000852008323	FG	On-Demand	Anodyne	EPHX2	22	40
C[C@@H](Cc1cccc(Br)c1)NC(=O)NCc1ncccn1	ZINC000852008336	EF	On-Demand	Anodyne	ANPEP	20	40
FCc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008344	DF	On-Demand	Anodyne	HRH3	23	49
FCc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008344	DF	On-Demand	Anodyne	SIGMAR1	25	42
FCc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008344	DF	On-Demand	Anodyne	L3MBTL3	50	48
FCc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008345	DF	On-Demand	Anodyne	HRH3	23	49
FCc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008345	DF	On-Demand	Anodyne	SIGMAR1	25	42
FCc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008345	DF	On-Demand	Anodyne	L3MBTL3	50	48
O=C1OCC[C@H]1CCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852008357	CD	On-Demand	Anodyne	L3MBTL3	39	42
O=C1OCC[C@@H]1CCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852008361	CD	On-Demand	Anodyne	L3MBTL3	39	42
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccc(F)n1	ZINC000852008362	EF	On-Demand	Anodyne	PDE8B	44	32
O=C1OCC[C@H]1CCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852008364	CD	On-Demand	Anodyne	L3MBTL3	39	42
NC(=O)[C@](O)(CN1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000852008365	FC	On-Demand	Anodyne	CHRM1	24	42
NC(=O)[C@](O)(CN1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000852008365	FC	On-Demand	Anodyne	CHRM3	44	42
NC(=O)[C@](O)(CN1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000852008365	FC	On-Demand	Anodyne	CACNA1I	61	40
NC(=O)[C@](O)(CN1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000852008365	FC	On-Demand	Anodyne	CYP2J2	44	31
O=C1OCC[C@@H]1CCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852008366	CD	On-Demand	Anodyne	L3MBTL3	39	42
NC(=O)[C@@](O)(CN1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000852008368	FC	On-Demand	Anodyne	CHRM1	24	42
NC(=O)[C@@](O)(CN1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000852008368	FC	On-Demand	Anodyne	CHRM3	44	42
NC(=O)[C@@](O)(CN1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000852008368	FC	On-Demand	Anodyne	CACNA1I	61	40
NC(=O)[C@@](O)(CN1CCC(CNC(=O)C(F)(F)F)CC1)c1ccccc1	ZINC000852008368	FC	On-Demand	Anodyne	CYP2J2	44	31
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1cccc(Cl)c1	ZINC000852008375	EF	On-Demand	Anodyne	IGF1R	23	42
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1cccc(Cl)c1	ZINC000852008375	EF	On-Demand	Anodyne	CYP3A4	44	42
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1cccc(Cl)c1	ZINC000852008378	EF	On-Demand	Anodyne	IGF1R	23	42
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1cccc(Cl)c1	ZINC000852008378	EF	On-Demand	Anodyne	CYP3A4	44	42
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1cccc(Cl)c1	ZINC000852008380	EF	On-Demand	Anodyne	IGF1R	23	42
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1cccc(Cl)c1	ZINC000852008380	EF	On-Demand	Anodyne	CYP3A4	44	42
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1cccc(Cl)c1	ZINC000852008384	EF	On-Demand	Anodyne	IGF1R	23	42
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1cccc(Cl)c1	ZINC000852008384	EF	On-Demand	Anodyne	CYP3A4	44	42
O=C(NCC1CCN(CC2(O)CCSCC2)CC1)C(F)(F)F	ZINC000852008402	ED	On-Demand	Anodyne	CACNA1I	47	33
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1c(F)cccc1F	ZINC000852008413	EE	On-Demand	Anodyne	L3MBTL3	45	38
c1ccc([C@H]2CCN(CCc3nsc4ccccc34)C2)nc1	ZINC000852008417	DH	On-Demand	Anodyne	HTR1A	18	42
c1ccc([C@H]2CCN(CCc3nsc4ccccc34)C2)nc1	ZINC000852008417	DH	On-Demand	Anodyne	DRD2	22	43
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1c(F)cccc1F	ZINC000852008418	EE	On-Demand	Anodyne	L3MBTL3	45	38
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1c(F)cccc1F	ZINC000852008421	EE	On-Demand	Anodyne	L3MBTL3	45	38
c1ccc([C@@H]2CCN(CCc3nsc4ccccc34)C2)nc1	ZINC000852008422	DH	On-Demand	Anodyne	HTR1A	18	42
c1ccc([C@@H]2CCN(CCc3nsc4ccccc34)C2)nc1	ZINC000852008422	DH	On-Demand	Anodyne	DRD2	22	43
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1c(F)cccc1F	ZINC000852008425	EE	On-Demand	Anodyne	L3MBTL3	45	38
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NCC1SCCS1	ZINC000852008437	GD	On-Demand	Anodyne	EPHX2	18	49
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NNc1ccc(Cl)cn1	ZINC000852008490	GE	On-Demand	Reactive	F10	35	46
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NNc1ccc(Cl)cn1	ZINC000852008490	GE	On-Demand	Reactive	BDKRB1	15	40
O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NNc1ccc(Cl)cn1	ZINC000852008490	GE	On-Demand	Reactive	EPHX2	15	49
CC(C)(C)OC(=O)N1CC(N2CCC[C@H](N3CCOCC3)CC2)C1	ZINC000852008508	ED	On-Demand	Anodyne	L3MBTL3	45	37
O=C(NCc1ncccn1)NCC1(c2ccc3c(c2)OCO3)CCCCC1	ZINC000852008509	FF	On-Demand	Anodyne	NMBR	69	33
O=C(NCc1ncccn1)NCC1(c2ccc3c(c2)OCO3)CCCCC1	ZINC000852008509	FF	On-Demand	Anodyne	CLK4	51	33
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852008511	EE	On-Demand	Anodyne	EPHX2	19	42
CC(C)(C)OC(=O)N1CC(N2CCC[C@@H](N3CCOCC3)CC2)C1	ZINC000852008512	ED	On-Demand	Anodyne	L3MBTL3	45	37
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1	ZINC000852008515	EE	On-Demand	Anodyne	EPHX2	19	42
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852008517	EF	On-Demand	Anodyne	PRCP	22	40
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852008517	EF	On-Demand	Anodyne	L3MBTL3	41	39
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852008519	EE	On-Demand	Anodyne	EPHX2	19	42
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852008521	EF	On-Demand	Anodyne	PRCP	22	40
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852008521	EF	On-Demand	Anodyne	L3MBTL3	41	39
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852008523	EE	On-Demand	Anodyne	EPHX2	19	42
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852008526	EF	On-Demand	Anodyne	PRCP	22	40
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852008526	EF	On-Demand	Anodyne	L3MBTL3	41	39
Cc1ccncc1N1CCN(C[C@H]2COC(C)(C)O2)CC1	ZINC000852008528	CD	On-Demand	Anodyne	ADRA1D	19	43
Cc1ccncc1N1CCN(C[C@H]2COC(C)(C)O2)CC1	ZINC000852008528	CD	On-Demand	Anodyne	ADRA1B	16	45
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852008530	EF	On-Demand	Anodyne	PRCP	22	40
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852008530	EF	On-Demand	Anodyne	L3MBTL3	41	39
Cc1ccncc1N1CCN(C[C@@H]2COC(C)(C)O2)CC1	ZINC000852008531	CD	On-Demand	Anodyne	ADRA1D	19	43
Cc1ccncc1N1CCN(C[C@@H]2COC(C)(C)O2)CC1	ZINC000852008531	CD	On-Demand	Anodyne	ADRA1B	16	45
CN(C)C(=O)CCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852008555	CD	On-Demand	Reactive	F10	31	40
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008557	GE	On-Demand	Anodyne	ESR1	80	34
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008557	GE	On-Demand	Anodyne	ESR2	54	36
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008557	GE	On-Demand	Anodyne	LTA4H	48	40
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008557	GE	On-Demand	Anodyne	HRH3	51	47
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008557	GE	On-Demand	Anodyne	PSMB1	42	35
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008562	GE	On-Demand	Anodyne	ESR1	80	34
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008562	GE	On-Demand	Anodyne	ESR2	54	36
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008562	GE	On-Demand	Anodyne	LTA4H	48	40
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008562	GE	On-Demand	Anodyne	HRH3	51	47
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008562	GE	On-Demand	Anodyne	PSMB1	42	35
NC(=O)[C@](O)(CN1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1	ZINC000852008567	DB	On-Demand	Anodyne	CHRM3	19	40
NC(=O)[C@](O)(CN1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1	ZINC000852008567	DB	On-Demand	Anodyne	CYP2J2	46	32
O[C@@H](CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008568	DE	On-Demand	Anodyne	SLC6A3	17	49
O[C@@H](CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008568	DE	On-Demand	Anodyne	SIGMAR1	18	41
O[C@@H](CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008568	DE	On-Demand	Anodyne	CCR5	30	42
O[C@@H](CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008568	DE	On-Demand	Anodyne	L3MBTL3	58	44
NC(=O)[C@@](O)(CN1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1	ZINC000852008570	DB	On-Demand	Anodyne	CHRM3	19	40
NC(=O)[C@@](O)(CN1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccccc1	ZINC000852008570	DB	On-Demand	Anodyne	CYP2J2	46	32
O[C@@H](CCN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008579	DE	On-Demand	Anodyne	SLC6A3	17	49
O[C@@H](CCN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008579	DE	On-Demand	Anodyne	SIGMAR1	18	41
O[C@@H](CCN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008579	DE	On-Demand	Anodyne	CCR5	30	42
O[C@@H](CCN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008579	DE	On-Demand	Anodyne	L3MBTL3	58	44
O[C@H](CCN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008582	DE	On-Demand	Anodyne	SLC6A3	17	49
O[C@H](CCN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008582	DE	On-Demand	Anodyne	SIGMAR1	18	41
O[C@H](CCN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008582	DE	On-Demand	Anodyne	CCR5	30	42
O[C@H](CCN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008582	DE	On-Demand	Anodyne	L3MBTL3	58	44
O[C@H](CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008586	DE	On-Demand	Anodyne	SLC6A3	17	49
O[C@H](CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008586	DE	On-Demand	Anodyne	SIGMAR1	18	41
O[C@H](CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008586	DE	On-Demand	Anodyne	CCR5	30	42
O[C@H](CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852008586	DE	On-Demand	Anodyne	L3MBTL3	58	44
Cc1noc(C)c1CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852008594	FG	On-Demand	Anodyne	P2RX7	17	52
Cc1noc(C)c1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852008598	FG	On-Demand	Anodyne	P2RX7	17	52
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852008604	EF	On-Demand	Anodyne	NOS2	98	36
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H]1COC2(CCC2)C1	ZINC000852008608	EF	On-Demand	Anodyne	NOS2	98	36
O=C(NCC1CCN(CCc2cnn[nH]2)CC1)C(F)(F)F	ZINC000852008612	DC	On-Demand	Anodyne	CACNA1I	62	41
O=C(NCC(=O)N1CCCc2ccccc21)NCC1SCCS1	ZINC000852008616	FE	On-Demand	Anodyne	AVPR2	38	45
FC(F)(Br)CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852008632	EE	On-Demand	Anodyne	L3MBTL3	34	40
C[C@@H]1CN(CCN2CCC(CNC(=O)C(F)(F)F)CC2)C[C@@H](C)O1	ZINC000852008671	FD	On-Demand	Anodyne	CACNA1I	59	41
O=C(NCCC1SCCS1)NCc1ccc(-n2ccnc2)c(F)c1	ZINC000852008692	FG	On-Demand	Anodyne	NOS2	93	33
O=C(NCC1CCN(CCCC2CCC2)CC1)C(F)(F)F	ZINC000852008699	DF	On-Demand	Anodyne	CACNA1I	60	42
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008726	ED	On-Demand	Anodyne	PIK3CA	23	41
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008726	ED	On-Demand	Anodyne	MTOR	45	41
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008726	ED	On-Demand	Anodyne	EPHX2	19	45
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008726	ED	On-Demand	Anodyne	PIK3CG	16	41
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008726	ED	On-Demand	Anodyne	L3MBTL3	66	37
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008727	ED	On-Demand	Anodyne	PIK3CA	23	41
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008727	ED	On-Demand	Anodyne	MTOR	45	41
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008727	ED	On-Demand	Anodyne	EPHX2	19	45
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008727	ED	On-Demand	Anodyne	PIK3CG	16	41
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852008727	ED	On-Demand	Anodyne	L3MBTL3	66	37
FC(F)(Br)CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852008729	EE	On-Demand	Anodyne	L3MBTL3	34	40
N#CCOc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008735	EE	On-Demand	Mild	HRH3	36	55
N#CCOc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008735	EE	On-Demand	Mild	SIGMAR1	15	42
N#CCOc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852008735	EE	On-Demand	Mild	L3MBTL3	40	41
N#CCOc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008736	EE	On-Demand	Mild	HRH3	36	55
N#CCOc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008736	EE	On-Demand	Mild	SIGMAR1	15	42
N#CCOc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852008736	EE	On-Demand	Mild	L3MBTL3	40	41
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1cccs1	ZINC000852008754	FC	On-Demand	Reactive	L3MBTL3	52	34
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1cccs1	ZINC000852008755	FC	On-Demand	Reactive	L3MBTL3	52	34
BrC1(CN2CCC[C@@H](N3CCOCC3)CC2)CC1	ZINC000852008787	DE	On-Demand	Anodyne	L3MBTL3	35	41
BrC1(CN2CCC[C@H](N3CCOCC3)CC2)CC1	ZINC000852008789	DE	On-Demand	Anodyne	L3MBTL3	35	41
O=C(NCCC1SCCS1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852008794	DG	On-Demand	Anodyne	EPHX2	23	45
O=C(NCCC1SCCS1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852008796	DG	On-Demand	Anodyne	EPHX2	23	45
O=C(NCCC1SCCS1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852008797	DG	On-Demand	Anodyne	EPHX2	23	45
O=C(NCCC1SCCS1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852008799	DG	On-Demand	Anodyne	EPHX2	23	45
Cc1nc(CN2CCC[C@H](N3CCOCC3)CC2)nc2ccccc12	ZINC000852008803	EF	On-Demand	Anodyne	TACR3	15	47
Cc1nc(CN2CCC[C@@H](N3CCOCC3)CC2)nc2ccccc12	ZINC000852008806	EF	On-Demand	Anodyne	TACR3	15	47
ICCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852008809	FD	On-Demand	Reactive	L3MBTL3	36	44
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852008812	FF	On-Demand	Anodyne	EPHX2	24	45
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852008815	FF	On-Demand	Anodyne	EPHX2	24	45
ICCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852008816	FD	On-Demand	Reactive	L3MBTL3	36	44
FCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852008818	BD	On-Demand	Anodyne	L3MBTL3	37	46
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852008819	FF	On-Demand	Anodyne	EPHX2	24	45
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852008821	FF	On-Demand	Anodyne	EPHX2	24	45
FCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852008823	BD	On-Demand	Anodyne	L3MBTL3	37	46
Brc1cccc(CN2CCC[C@H](N3CCOCC3)CC2)n1	ZINC000852008839	FF	On-Demand	Anodyne	L3MBTL3	40	39
Brc1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)n1	ZINC000852008840	FF	On-Demand	Anodyne	L3MBTL3	40	39
C#CCCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852008846	CD	On-Demand	Mild	L3MBTL3	37	44
C#CCCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852008849	CD	On-Demand	Mild	L3MBTL3	37	44
O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852008902	FG	On-Demand	Anodyne	EPHX2	26	48
O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852008902	FG	On-Demand	Anodyne	SMO	22	41
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852008905	FG	On-Demand	Anodyne	EPHX2	26	48
O=C(N[C@H]1CCCC[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852008905	FG	On-Demand	Anodyne	SMO	22	41
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852008908	FG	On-Demand	Anodyne	EPHX2	26	48
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852008908	FG	On-Demand	Anodyne	SMO	22	41
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852008911	FG	On-Demand	Anodyne	EPHX2	26	48
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852008911	FG	On-Demand	Anodyne	SMO	22	41
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)O1	ZINC000852008913	GC	On-Demand	Reactive	NOS2	98	38
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)O1	ZINC000852008916	GC	On-Demand	Reactive	NOS2	98	38
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@@H](c3ccccn3)C2)C1	ZINC000852008993	EF	On-Demand	Anodyne	GPR119	39	46
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@H](c3ccccn3)C2)C1	ZINC000852008994	EF	On-Demand	Anodyne	GPR119	39	46
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@@H](c3ccccn3)C2)C1	ZINC000852008996	EF	On-Demand	Anodyne	GPR119	39	46
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@H](c3ccccn3)C2)C1	ZINC000852008998	EF	On-Demand	Anodyne	GPR119	39	46
O=C(NCC1CCN(Cc2cccc(F)n2)CC1)C(F)(F)F	ZINC000852008999	DE	On-Demand	Anodyne	HTR4	49	38
O=C(NCC1CCN(Cc2cccc(F)n2)CC1)C(F)(F)F	ZINC000852008999	DE	On-Demand	Anodyne	CACNA1I	63	42
COC[C@@H](CN1CCC(CNC(=O)C(F)(F)F)CC1)OC	ZINC000852009023	DD	On-Demand	Anodyne	CACNA1I	60	39
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009028	GC	On-Demand	Clean	MMP13	32	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009028	GC	On-Demand	Clean	MMP3	34	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009028	GC	On-Demand	Clean	MMP9	24	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009028	GC	On-Demand	Clean	EPHX2	23	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009028	GC	On-Demand	Clean	MMP7	32	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009028	GC	On-Demand	Clean	MMP1	31	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009029	GC	On-Demand	Clean	MMP13	32	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009029	GC	On-Demand	Clean	MMP3	34	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009029	GC	On-Demand	Clean	MMP9	24	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009029	GC	On-Demand	Clean	EPHX2	23	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009029	GC	On-Demand	Clean	MMP7	32	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852009029	GC	On-Demand	Clean	MMP1	31	42
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	DRD2	19	44
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	DRD4	33	44
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	ACHE	55	44
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	HRH2	29	45
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	KCNH2	19	40
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	HTR4	55	45
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	CHRM3	24	48
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	SIGMAR1	42	43
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	CCR3	64	42
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	CCR2	20	46
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	MCHR1	45	40
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	CACNA1G	38	42
Nc1cccc(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1	ZINC000852009041	DE	On-Demand	Anodyne	CACNA1I	71	54
CO[C@@H](CN1CCC(CNC(=O)C(F)(F)F)CC1)C1CCCC1	ZINC000852009065	EF	On-Demand	Anodyne	CACNA1I	60	39
O=C(NCC1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1)C(F)(F)F	ZINC000852009080	GD	On-Demand	Anodyne	CACNA1I	58	38
CO[C@@H]1CC[C@@H](N(C)CCCN2CCCC2)C1	ZINC000852009088	BD	On-Demand	Anodyne	HRH3	16	42
O=C(NCC1CCN(Cc2cnc3ccccc3n2)CC1)C(F)(F)F	ZINC000852009099	FF	On-Demand	Anodyne	HTR4	59	39
O=C(NCC1CCN(Cc2cnc3ccccc3n2)CC1)C(F)(F)F	ZINC000852009099	FF	On-Demand	Anodyne	CACNA1I	60	39
O=C(NCC1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)C(F)(F)F	ZINC000852009102	DF	On-Demand	Anodyne	CACNA1I	53	35
O=C(NCC1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)C(F)(F)F	ZINC000852009103	DF	On-Demand	Anodyne	CACNA1I	53	35
O=C(NCC1CCN(C[C@@H]2CC[C@@H]3C[C@H]3C2)CC1)C(F)(F)F	ZINC000852009104	DF	On-Demand	Anodyne	CACNA1I	53	35
O=C(NCC1CCN(C[C@@H]2CC[C@H]3C[C@@H]3C2)CC1)C(F)(F)F	ZINC000852009105	DF	On-Demand	Anodyne	CACNA1I	53	35
O=C(NCC1CCN(CCc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852009139	FG	On-Demand	Anodyne	HTR1A	20	47
O=C(NCC1CCN(CCc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852009139	FG	On-Demand	Anodyne	DRD2	27	47
O=C(NCC1CCN(CCc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852009139	FG	On-Demand	Anodyne	HTR4	60	44
O=C(NCC1CCN(CCc2nsc3ccccc23)CC1)C(F)(F)F	ZINC000852009139	FG	On-Demand	Anodyne	CACNA1I	56	36
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009143	FF	On-Demand	Anodyne	DRD4	17	42
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009143	FF	On-Demand	Anodyne	PIK3CA	24	40
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009143	FF	On-Demand	Anodyne	MTOR	41	40
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009143	FF	On-Demand	Anodyne	EPHX2	22	42
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009143	FF	On-Demand	Anodyne	PIK3CG	16	40
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009143	FF	On-Demand	Anodyne	MCHR1	33	42
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009143	FF	On-Demand	Anodyne	L3MBTL3	55	36
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009144	FF	On-Demand	Anodyne	DRD4	17	42
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009144	FF	On-Demand	Anodyne	PIK3CA	24	40
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009144	FF	On-Demand	Anodyne	MTOR	41	40
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009144	FF	On-Demand	Anodyne	EPHX2	22	42
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009144	FF	On-Demand	Anodyne	PIK3CG	16	40
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009144	FF	On-Demand	Anodyne	MCHR1	33	42
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852009144	FF	On-Demand	Anodyne	L3MBTL3	55	36
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	DRD2	24	52
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	DRD4	50	52
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	ACHE	55	50
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	DRD3	19	44
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	HTR4	60	47
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	GRIN2B	50	35
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	SIGMAR1	52	44
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	SSTR5	52	35
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	BCHE	15	45
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	CCR3	66	43
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	CACNA1G	33	40
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	CACNA1I	64	45
O=C(NCC1CCN(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852009162	GE	On-Demand	Reactive	NPFFR1	41	34
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc(Cl)nc1	ZINC000852009168	FD	On-Demand	Anodyne	MTOR	40	37
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc(Cl)nc1	ZINC000852009169	FD	On-Demand	Anodyne	MTOR	40	37
c1nsnc1CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852009178	CD	On-Demand	Anodyne	L3MBTL3	34	40
c1nsnc1CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852009179	CD	On-Demand	Anodyne	L3MBTL3	34	40
O=C(NCc1ccc(-n2ccnc2)c(F)c1)NCC1SCCS1	ZINC000852009181	FF	On-Demand	Anodyne	NOS2	91	34
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	CHRM2	19	42
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	DRD2	23	51
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	DRD4	53	51
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	ACHE	59	49
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	DRD3	17	51
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	HTR4	54	47
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	CHRM3	23	40
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	LTA4H	22	40
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	SIGMAR1	70	49
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	BCHE	18	45
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	CCR3	63	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	MCHR1	27	43
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	CACNA1I	67	43
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852009186	DF	On-Demand	Anodyne	NPFFR1	40	35
O=C1CCC2=C(CCN(C(=O)N[C@H]3CCCC[C@H]3c3ccccc3)C2)N1	ZINC000852009188	FG	On-Demand	Anodyne	EPHX2	20	40
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	CHRM2	19	42
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	DRD2	23	51
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	DRD4	53	51
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	ACHE	59	49
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	DRD3	17	51
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	HTR4	54	47
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	CHRM3	23	40
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	LTA4H	22	40
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	SIGMAR1	70	49
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	BCHE	18	45
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	CCR3	63	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	MCHR1	27	43
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	CACNA1I	67	43
O=C(NCC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852009190	DF	On-Demand	Anodyne	NPFFR1	40	35
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)C2)N1	ZINC000852009191	FG	On-Demand	Anodyne	EPHX2	20	40
O=C1CCC2=C(CCN(C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)C2)N1	ZINC000852009194	FG	On-Demand	Anodyne	EPHX2	20	40
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)C2)N1	ZINC000852009197	FG	On-Demand	Anodyne	EPHX2	20	40
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009202	GD	On-Demand	Anodyne	CCR3	19	42
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009202	GD	On-Demand	Anodyne	EPHX2	16	42
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009205	GD	On-Demand	Anodyne	CCR3	19	42
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009205	GD	On-Demand	Anodyne	EPHX2	16	42
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852009208	GD	On-Demand	Reactive	EPHX2	20	42
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@H]1c1ccccc1	ZINC000852009211	GD	On-Demand	Reactive	EPHX2	20	42
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852009215	GD	On-Demand	Reactive	EPHX2	20	42
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852009218	GD	On-Demand	Reactive	EPHX2	20	42
CSc1ccc([C@@H](C)NC[C@@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852009231	EE	On-Demand	Anodyne	KIF11	21	44
CSc1ccc([C@@H](C)NC[C@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852009234	EE	On-Demand	Anodyne	KIF11	21	44
Cc1ccccc1[C@@H](O)CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852009236	DE	On-Demand	Anodyne	L3MBTL3	46	38
Cc1ccccc1[C@H](O)CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852009239	DE	On-Demand	Anodyne	L3MBTL3	46	38
Cc1ccccc1[C@@H](O)CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852009242	DE	On-Demand	Anodyne	L3MBTL3	46	38
Cc1ccccc1[C@H](O)CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852009245	DE	On-Demand	Anodyne	L3MBTL3	46	38
O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009256	ED	On-Demand	Bother	KCNJ1	24	42
O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009258	ED	On-Demand	Bother	KCNJ1	24	42
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852009261	FF	On-Demand	Anodyne	EPHX2	23	43
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852009261	FF	On-Demand	Anodyne	SMO	31	45
O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009262	ED	On-Demand	Bother	KCNJ1	24	42
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852009263	FF	On-Demand	Anodyne	EPHX2	18	44
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852009264	FF	On-Demand	Anodyne	EPHX2	23	43
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852009264	FF	On-Demand	Anodyne	SMO	31	45
O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009265	ED	On-Demand	Bother	KCNJ1	24	42
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852009266	FF	On-Demand	Anodyne	EPHX2	18	44
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852009267	FF	On-Demand	Anodyne	EPHX2	23	43
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852009267	FF	On-Demand	Anodyne	SMO	31	45
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852009269	FF	On-Demand	Anodyne	EPHX2	18	44
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852009271	FF	On-Demand	Anodyne	EPHX2	23	43
O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852009271	FF	On-Demand	Anodyne	SMO	31	45
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852009273	FF	On-Demand	Anodyne	EPHX2	18	44
Cc1ccncc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852009274	EE	On-Demand	Anodyne	DRD4	16	45
Cc1ccncc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852009274	EE	On-Demand	Anodyne	SLC27A1	45	37
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	ZINC000852009275	FG	On-Demand	Anodyne	ACACA	21	41
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1	ZINC000852009275	FG	On-Demand	Anodyne	ACACB	21	41
Fc1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009276	DE	On-Demand	Anodyne	ESR1	75	39
Fc1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009276	DE	On-Demand	Anodyne	ESR2	51	43
Fc1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009276	DE	On-Demand	Anodyne	LTA4H	49	44
Fc1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009276	DE	On-Demand	Anodyne	HRH3	52	48
Fc1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009276	DE	On-Demand	Anodyne	SIGMAR1	20	41
Fc1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009276	DE	On-Demand	Anodyne	CHRNA10	61	47
Fc1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009276	DE	On-Demand	Anodyne	PSMB1	40	35
Fc1cccc(OCCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852009276	DE	On-Demand	Anodyne	L3MBTL3	35	41
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852009278	GC	On-Demand	Reactive	PLD1	40	34
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852009278	GC	On-Demand	Reactive	WNT3A	48	38
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852009278	GC	On-Demand	Reactive	L3MBTL3	92	40
Fc1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009279	DE	On-Demand	Anodyne	ESR1	75	39
Fc1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009279	DE	On-Demand	Anodyne	ESR2	51	43
Fc1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009279	DE	On-Demand	Anodyne	LTA4H	49	44
Fc1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009279	DE	On-Demand	Anodyne	HRH3	52	48
Fc1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009279	DE	On-Demand	Anodyne	SIGMAR1	20	41
Fc1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009279	DE	On-Demand	Anodyne	CHRNA10	61	47
Fc1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009279	DE	On-Demand	Anodyne	PSMB1	40	35
Fc1cccc(OCCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852009279	DE	On-Demand	Anodyne	L3MBTL3	35	41
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852009281	GC	On-Demand	Reactive	PLD1	40	34
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852009281	GC	On-Demand	Reactive	WNT3A	48	38
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852009281	GC	On-Demand	Reactive	L3MBTL3	92	40
O=C1OCCN1CCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852009288	DD	On-Demand	Anodyne	L3MBTL3	27	40
O=C1OCCN1CCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852009289	DD	On-Demand	Anodyne	L3MBTL3	27	40
C[Si](C)(C)CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852009292	CE	On-Demand	Anodyne	L3MBTL3	32	40
O=C(NCc1ncccn1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852009304	CD	On-Demand	Anodyne	EPHX2	28	48
O=C(NCc1ncccn1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852009304	CD	On-Demand	Anodyne	KDM1A	30	42
O=C(NCc1ncccn1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852009306	CD	On-Demand	Anodyne	EPHX2	28	48
O=C(NCc1ncccn1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852009306	CD	On-Demand	Anodyne	KDM1A	30	42
O=C(NCc1ncccn1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852009307	CD	On-Demand	Anodyne	EPHX2	28	48
O=C(NCc1ncccn1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852009307	CD	On-Demand	Anodyne	KDM1A	30	42
O=C(NCc1ncccn1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852009309	CD	On-Demand	Anodyne	EPHX2	28	48
O=C(NCc1ncccn1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852009309	CD	On-Demand	Anodyne	KDM1A	30	42
C[Si](C)(C)CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852009313	CE	On-Demand	Anodyne	L3MBTL3	32	40
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009315	DD	On-Demand	Anodyne	OPRL1	15	40
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009315	DD	On-Demand	Anodyne	SLC18A3	18	46
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009315	DD	On-Demand	Anodyne	L3MBTL3	61	40
O[C@@H]1CCCC[C@H]1N1CC[C@@H](c2ccccn2)C1	ZINC000852009316	BE	On-Demand	Anodyne	SLC18A3	86	55
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009317	DD	On-Demand	Anodyne	OPRL1	15	40
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009317	DD	On-Demand	Anodyne	SLC18A3	18	46
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009317	DD	On-Demand	Anodyne	L3MBTL3	61	40
O[C@@H]1CCCC[C@H]1N1CC[C@H](c2ccccn2)C1	ZINC000852009318	BE	On-Demand	Anodyne	SLC18A3	86	55
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009320	DD	On-Demand	Anodyne	OPRL1	15	40
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009320	DD	On-Demand	Anodyne	SLC18A3	18	46
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009320	DD	On-Demand	Anodyne	L3MBTL3	61	40
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009323	DD	On-Demand	Anodyne	OPRL1	15	40
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009323	DD	On-Demand	Anodyne	SLC18A3	18	46
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009323	DD	On-Demand	Anodyne	L3MBTL3	61	40
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1Br	ZINC000852009350	GF	On-Demand	Anodyne	L3MBTL3	44	38
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1Br	ZINC000852009353	GF	On-Demand	Anodyne	L3MBTL3	44	38
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1Br	ZINC000852009356	GF	On-Demand	Anodyne	L3MBTL3	44	38
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1Br	ZINC000852009359	GF	On-Demand	Anodyne	L3MBTL3	44	38
O=C1N[C@H]2CCN([C@@H]3CCC[C@H]3O)C[C@@H]2CO1	ZINC000852009380	BC	On-Demand	Anodyne	SLC18A3	27	43
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009382	GD	On-Demand	Anodyne	HRH3	27	40
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009382	GD	On-Demand	Anodyne	ACOX1	60	33
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009382	GD	On-Demand	Anodyne	ABCB1	57	45
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009382	GD	On-Demand	Anodyne	L3MBTL3	58	35
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009385	GD	On-Demand	Anodyne	HRH3	27	40
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009385	GD	On-Demand	Anodyne	ACOX1	60	33
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009385	GD	On-Demand	Anodyne	ABCB1	57	45
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009385	GD	On-Demand	Anodyne	L3MBTL3	58	35
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009389	GD	On-Demand	Anodyne	HRH3	27	40
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009389	GD	On-Demand	Anodyne	ACOX1	60	33
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009389	GD	On-Demand	Anodyne	ABCB1	57	45
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009389	GD	On-Demand	Anodyne	L3MBTL3	58	35
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009391	GD	On-Demand	Anodyne	HRH3	27	40
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009391	GD	On-Demand	Anodyne	ACOX1	60	33
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009391	GD	On-Demand	Anodyne	ABCB1	57	45
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009391	GD	On-Demand	Anodyne	L3MBTL3	58	35
O=C(NCc1ccc(-n2ccnc2)c(F)c1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852009404	GF	On-Demand	Anodyne	NOS2	98	37
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccccc2)O1	ZINC000852009433	EC	On-Demand	Reactive	EPHX2	19	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)O1	ZINC000852009434	EC	On-Demand	Reactive	EPHX2	19	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2C[C@@H]2c2ccccc2)O1	ZINC000852009435	EC	On-Demand	Reactive	EPHX2	19	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2C[C@H]2c2ccccc2)O1	ZINC000852009436	EC	On-Demand	Reactive	EPHX2	19	42
Fc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)nc1	ZINC000852009451	CD	On-Demand	Anodyne	L3MBTL3	41	39
Fc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)nc1	ZINC000852009456	CD	On-Demand	Anodyne	L3MBTL3	41	39
C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@@H]3C=CCC3)c2)CCO1	ZINC000852009474	EE	On-Demand	Anodyne	CCR3	19	43
C[C@H]1CN(Cc2cccc(CNC(=O)N[C@@H]3C=CCC3)c2)CCO1	ZINC000852009476	EE	On-Demand	Anodyne	CCR3	19	43
C[C@@H]1CN(Cc2cccc(CNC(=O)N[C@H]3C=CCC3)c2)CCO1	ZINC000852009478	EE	On-Demand	Anodyne	CCR3	19	43
C[C@H]1CN(Cc2cccc(CNC(=O)N[C@H]3C=CCC3)c2)CCO1	ZINC000852009481	EE	On-Demand	Anodyne	CCR3	19	43
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852009488	DD	On-Demand	Anodyne	EPHX2	30	55
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852009488	DD	On-Demand	Anodyne	SMO	33	44
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852009494	DD	On-Demand	Anodyne	EPHX2	30	55
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852009494	DD	On-Demand	Anodyne	SMO	33	44
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1CCCC[C@@H]1c1ccccc1	ZINC000852009495	GF	On-Demand	Anodyne	GRIA4	17	42
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1CCCC[C@H]1c1ccccc1	ZINC000852009497	GF	On-Demand	Anodyne	GRIA4	17	42
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1CCCC[C@@H]1c1ccccc1	ZINC000852009499	GF	On-Demand	Anodyne	GRIA4	17	42
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1CCCC[C@H]1c1ccccc1	ZINC000852009501	GF	On-Demand	Anodyne	GRIA4	17	42
N#Cc1ccc(CCN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852009521	CF	On-Demand	Mild	KCNJ1	29	53
N#Cc1ccc(CCN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852009521	CF	On-Demand	Mild	MEN1	41	42
CCCCCCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852009525	CG	On-Demand	Mild	L3MBTL3	29	42
CCCCCCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852009526	CG	On-Demand	Mild	L3MBTL3	29	42
COc1ccc2c(CN3CCC[C@H](N4CCOCC4)CC3)cc(=O)oc2c1	ZINC000852009527	FE	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCC[C@H](N4CCOCC4)CC3)cc(=O)oc2c1	ZINC000852009527	FE	On-Demand	Anodyne	MAOB	20	42
COc1ccc2c(CN3CCC[C@@H](N4CCOCC4)CC3)cc(=O)oc2c1	ZINC000852009528	FE	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCC[C@@H](N4CCOCC4)CC3)cc(=O)oc2c1	ZINC000852009528	FE	On-Demand	Anodyne	MAOB	20	42
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Br)cc1	ZINC000852009529	GF	On-Demand	Anodyne	PRCP	18	40
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Br)cc1	ZINC000852009529	GF	On-Demand	Anodyne	L3MBTL3	43	39
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Br)cc1	ZINC000852009530	GF	On-Demand	Anodyne	PRCP	18	40
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Br)cc1	ZINC000852009530	GF	On-Demand	Anodyne	L3MBTL3	43	39
N#Cc1ccc(CCN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852009531	CF	On-Demand	Mild	KCNJ1	29	53
N#Cc1ccc(CCN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852009531	CF	On-Demand	Mild	MEN1	41	42
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Br)cc1	ZINC000852009532	GF	On-Demand	Anodyne	PRCP	18	40
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Br)cc1	ZINC000852009532	GF	On-Demand	Anodyne	L3MBTL3	43	39
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Br)cc1	ZINC000852009535	GF	On-Demand	Anodyne	PRCP	18	40
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Br)cc1	ZINC000852009535	GF	On-Demand	Anodyne	L3MBTL3	43	39
CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1C=CCC1	ZINC000852009575	DE	On-Demand	Anodyne	LIMK2	19	41
CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1C=CCC1	ZINC000852009576	DE	On-Demand	Anodyne	LIMK2	19	41
CC(C)(C)OC(=O)CN1CCCC[C@H](N2CC[C@@H](c3ccccn3)C2)C1=O	ZINC000852009594	FF	On-Demand	Anodyne	CPT1A	42	34
c1ccc([C@H]2CCN(CC[C@H]3CCc4ccccc43)C2)nc1	ZINC000852009595	CH	On-Demand	Anodyne	EBP	21	46
CC(C)(C)OC(=O)CN1CCCC[C@@H](N2CC[C@H](c3ccccn3)C2)C1=O	ZINC000852009596	FF	On-Demand	Anodyne	CPT1A	42	34
c1ccc([C@@H]2CCN(CC[C@H]3CCc4ccccc43)C2)nc1	ZINC000852009597	CH	On-Demand	Anodyne	EBP	21	46
CC(C)(C)OC(=O)CN1CCCC[C@@H](N2CC[C@@H](c3ccccn3)C2)C1=O	ZINC000852009598	FF	On-Demand	Anodyne	CPT1A	42	34
c1ccc([C@H]2CCN(CC[C@@H]3CCc4ccccc43)C2)nc1	ZINC000852009600	CH	On-Demand	Anodyne	EBP	21	46
CC(C)(C)OC(=O)CN1CCCC[C@H](N2CC[C@H](c3ccccn3)C2)C1=O	ZINC000852009601	FF	On-Demand	Anodyne	CPT1A	42	34
c1ccc([C@@H]2CCN(CC[C@@H]3CCc4ccccc43)C2)nc1	ZINC000852009602	CH	On-Demand	Anodyne	EBP	21	46
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	CA2	36	47
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	CA1	37	47
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	CA7	21	47
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	HRH3	22	44
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	SIGMAR1	15	42
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	CA4	19	43
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	CA12	25	47
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	CA9	32	47
NS(=O)(=O)c1ccc(CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009611	FD	On-Demand	Anodyne	L3MBTL3	59	57
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	CA2	36	47
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	CA1	37	47
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	CA7	21	47
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	HRH3	22	44
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	SIGMAR1	15	42
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	CA4	19	43
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	CA12	25	47
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	CA9	32	47
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009613	FD	On-Demand	Anodyne	L3MBTL3	59	57
N#Cc1ccc(CCN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1	ZINC000852009620	CD	On-Demand	Mild	KCNJ1	52	49
NC(=O)[C@](O)(CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009644	EC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@](O)(CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009644	EC	On-Demand	Anodyne	L3MBTL3	76	37
NC(=O)[C@@](O)(CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009647	EC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@@](O)(CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009647	EC	On-Demand	Anodyne	L3MBTL3	76	37
NC(=O)[C@](O)(CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009648	EC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@](O)(CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009648	EC	On-Demand	Anodyne	L3MBTL3	76	37
NC(=O)[C@@](O)(CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009651	EC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@@](O)(CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1	ZINC000852009651	EC	On-Demand	Anodyne	L3MBTL3	76	37
O=C1O[C@@H](CN2CCC[C@H](N3CCOCC3)CC2)CN1c1ccccc1	ZINC000852009673	FE	On-Demand	Anodyne	L3MBTL3	43	40
O=C1O[C@H](CN2CCC[C@@H](N3CCOCC3)CC2)CN1c1ccccc1	ZINC000852009676	FE	On-Demand	Anodyne	L3MBTL3	43	40
O=C1O[C@@H](CN2CCC[C@@H](N3CCOCC3)CC2)CN1c1ccccc1	ZINC000852009677	FE	On-Demand	Anodyne	L3MBTL3	43	40
O=C1O[C@H](CN2CCC[C@H](N3CCOCC3)CC2)CN1c1ccccc1	ZINC000852009680	FE	On-Demand	Anodyne	L3MBTL3	43	40
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852009691	GC	On-Demand	Reactive	L3MBTL3	47	34
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852009693	GC	On-Demand	Reactive	L3MBTL3	47	34
Fc1cc(CN2CCC[C@H](N3CCOCC3)CC2)cnc1Cl	ZINC000852009703	EF	On-Demand	Anodyne	CXCR3	15	42
Fc1cc(CN2CCC[C@@H](N3CCOCC3)CC2)cnc1Cl	ZINC000852009704	EF	On-Demand	Anodyne	CXCR3	15	42
Cc1noc(C)c1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852009709	CE	On-Demand	Reactive	P2RX7	16	50
CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ncccn1	ZINC000852009743	ED	On-Demand	Anodyne	TSPO	31	42
CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ncccn1	ZINC000852009743	ED	On-Demand	Anodyne	LIMK2	23	43
CC[C@@H](C)[C@H](C)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852009799	DF	On-Demand	Anodyne	EPHX2	19	42
CC[C@@H](C)[C@H](C)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852009799	DF	On-Demand	Anodyne	GPR119	23	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccoc3)C2)cc1	ZINC000852009801	DE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccoc3)C2)cc1	ZINC000852009801	DE	On-Demand	Clean	MTNR1B	15	45
COCCN(CCF)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1	ZINC000852009805	DG	On-Demand	Anodyne	AMY2	43	29
COCCN(CCF)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1	ZINC000852009807	DG	On-Demand	Anodyne	AMY2	43	29
O=C(NCc1cc2ccccc2s1)NCC1SCCS1	ZINC000852009822	DH	On-Demand	Anodyne	AROQ	22	40
COCCN(CCF)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1	ZINC000852009836	GD	On-Demand	Anodyne	TMPRSS11D	82	34
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852009837	FD	On-Demand	Anodyne	MCHR1	15	42
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852009839	FD	On-Demand	Anodyne	MCHR1	15	42
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	CHRM2	17	44
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	DRD2	25	50
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	DRD4	64	50
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	ACHE	57	49
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	HRH1	17	41
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	DRD3	18	47
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	KCNH2	15	46
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	HTR4	59	46
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	GRIN2B	45	39
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	PTGER1	46	38
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	HRH3	17	44
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	SIGMAR1	62	47
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	SSTR5	56	41
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	BCHE	17	41
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	CCR3	45	39
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	FAAH	29	42
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	CXCR3	36	41
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	MCHR1	34	45
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	CACNA1I	72	46
O=C(NCC1CCN(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852009861	FG	On-Demand	Reactive	NPFFR1	41	37
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1ccccc1	ZINC000852009881	FC	On-Demand	Reactive	L3MBTL3	100	39
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1ccccc1	ZINC000852009883	FC	On-Demand	Reactive	L3MBTL3	100	39
CC(=O)Oc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009885	EE	On-Demand	Anodyne	HRH3	50	50
CC(=O)Oc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009885	EE	On-Demand	Anodyne	SIGMAR1	35	41
CC(=O)Oc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009885	EE	On-Demand	Anodyne	CCR3	20	44
CC(=O)Oc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852009885	EE	On-Demand	Anodyne	L3MBTL3	80	47
CC(=O)Oc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009887	EE	On-Demand	Anodyne	HRH3	50	50
CC(=O)Oc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009887	EE	On-Demand	Anodyne	SIGMAR1	35	41
CC(=O)Oc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009887	EE	On-Demand	Anodyne	CCR3	20	44
CC(=O)Oc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852009887	EE	On-Demand	Anodyne	L3MBTL3	80	47
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cc2ccccc2s1	ZINC000852009942	GH	On-Demand	Clean	STAT6	18	40
O=C(CCN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009943	EE	On-Demand	Anodyne	HTR4	27	43
O=C(CCN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009943	EE	On-Demand	Anodyne	HRH3	21	44
O=C(CCN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009943	EE	On-Demand	Anodyne	PREP	46	37
O=C(CCN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009943	EE	On-Demand	Anodyne	CYP2J2	44	31
O=C(CCN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009943	EE	On-Demand	Anodyne	L3MBTL3	79	42
O=C(CCN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009944	EE	On-Demand	Anodyne	HTR4	27	43
O=C(CCN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009944	EE	On-Demand	Anodyne	HRH3	21	44
O=C(CCN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009944	EE	On-Demand	Anodyne	PREP	46	37
O=C(CCN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009944	EE	On-Demand	Anodyne	CYP2J2	44	31
O=C(CCN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852009944	EE	On-Demand	Anodyne	L3MBTL3	79	42
O=C(CN1CC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852010037	DF	On-Demand	Anodyne	DRD4	20	60
O=C(CN1CC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852010037	DF	On-Demand	Anodyne	GRM4	41	35
O=C(CN1CC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852010037	DF	On-Demand	Anodyne	IMDH_CRYPV	43	42
O=C(CN1CC[C@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852010039	DF	On-Demand	Anodyne	DRD4	20	60
O=C(CN1CC[C@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852010039	DF	On-Demand	Anodyne	GRM4	41	35
O=C(CN1CC[C@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852010039	DF	On-Demand	Anodyne	IMDH_CRYPV	43	42
Cn1cnc(CN2CC[C@@H](c3ccccn3)C2)c1	ZINC000852010058	BD	On-Demand	Anodyne	DRD4	16	44
Cn1cnc(CN2CC[C@H](c3ccccn3)C2)c1	ZINC000852010059	BD	On-Demand	Anodyne	DRD4	16	44
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010083	GD	On-Demand	Anodyne	HRH3	37	48
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010083	GD	On-Demand	Anodyne	SIGMAR1	21	43
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010083	GD	On-Demand	Anodyne	L3MBTL3	40	40
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010086	GD	On-Demand	Anodyne	HRH3	37	48
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010086	GD	On-Demand	Anodyne	SIGMAR1	21	43
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010086	GD	On-Demand	Anodyne	L3MBTL3	40	40
c1csc(CCN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852010125	CE	On-Demand	Anodyne	L3MBTL3	51	49
c1csc(CCN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852010126	CE	On-Demand	Anodyne	L3MBTL3	51	49
FC(F)OCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010133	CD	On-Demand	Anodyne	L3MBTL3	24	40
FC(F)OCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010134	CD	On-Demand	Anodyne	L3MBTL3	24	40
C#CCOCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010149	CC	On-Demand	Mild	L3MBTL3	29	42
C#CCOCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010150	CC	On-Demand	Mild	L3MBTL3	29	42
O=C(NCC1CCN(Cc2ccccc2)CC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852010155	GG	On-Demand	Anodyne	DRD2	15	46
O=C(NCC1CCN(Cc2ccccc2)CC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852010155	GG	On-Demand	Anodyne	DRD4	34	46
O=C(NCC1CCN(Cc2ccccc2)CC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852010155	GG	On-Demand	Anodyne	ACHE	47	43
O=C(NCC1CCN(Cc2ccccc2)CC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852010155	GG	On-Demand	Anodyne	HTR4	46	42
O=C(NCC1CCN(Cc2ccccc2)CC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852010155	GG	On-Demand	Anodyne	SIGMAR1	56	41
O=C(NCC1CCN(Cc2ccccc2)CC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852010155	GG	On-Demand	Anodyne	CACNA1G	30	44
O=C(NCC1CCN(Cc2ccccc2)CC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852010155	GG	On-Demand	Anodyne	CACNA1I	59	42
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	CHRM2	18	46
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	DRD2	37	53
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	DRD4	57	53
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	ACHE	61	51
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	DRD3	28	47
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	SLC6A3	21	43
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	HTR4	66	51
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	SIGMAR1	71	49
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	BCHE	19	48
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	CCR3	42	39
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	MCHR1	34	44
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	CACNA1G	33	41
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	CACNA1I	69	44
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010158	FF	On-Demand	Anodyne	ACKR3	52	32
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NOCc1ccccc1	ZINC000852010160	ED	On-Demand	Anodyne	L3MBTL3	63	37
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NOCc1ccccc1	ZINC000852010161	ED	On-Demand	Anodyne	L3MBTL3	63	37
N#C[C@H](c1ccccc1)N1CC[C@H](c2ccccn2)C1	ZINC000852010179	CG	On-Demand	Mild	PTAFR	34	41
N#C[C@H](c1ccccc1)N1CC[C@@H](c2ccccn2)C1	ZINC000852010180	CG	On-Demand	Mild	PTAFR	34	41
N#C[C@@H](c1ccccc1)N1CC[C@H](c2ccccn2)C1	ZINC000852010181	CG	On-Demand	Mild	PTAFR	34	41
N#C[C@@H](c1ccccc1)N1CC[C@@H](c2ccccn2)C1	ZINC000852010182	CG	On-Demand	Mild	PTAFR	34	41
c1ccc(COCCN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852010184	CG	On-Demand	Anodyne	DRD2	15	45
c1ccc(COCCN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852010184	CG	On-Demand	Anodyne	DRD4	18	45
c1ccc(COCCN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852010184	CG	On-Demand	Anodyne	GRIN2B	21	42
c1ccc(COCCN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852010184	CG	On-Demand	Anodyne	LTA4H	29	43
c1ccc(COCCN2CC[C@H](c3ccccn3)C2)cc1	ZINC000852010184	CG	On-Demand	Anodyne	SIGMAR1	30	43
c1ccc(COCCN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852010185	CG	On-Demand	Anodyne	DRD2	15	45
c1ccc(COCCN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852010185	CG	On-Demand	Anodyne	DRD4	18	45
c1ccc(COCCN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852010185	CG	On-Demand	Anodyne	GRIN2B	21	42
c1ccc(COCCN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852010185	CG	On-Demand	Anodyne	LTA4H	29	43
c1ccc(COCCN2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852010185	CG	On-Demand	Anodyne	SIGMAR1	30	43
Fc1ccc(Br)cc1CN1CCN(CCOC(F)F)CC1	ZINC000852010190	FF	On-Demand	Anodyne	SLC6A3	30	43
COc1cc(CN2CC[C@@H](c3ccccn3)C2)on1	ZINC000852010192	CE	On-Demand	Anodyne	DRD4	26	41
COc1cc(CN2CC[C@H](c3ccccn3)C2)on1	ZINC000852010193	CE	On-Demand	Anodyne	DRD4	26	41
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852010201	DG	On-Demand	Clean	MTNR1A	15	49
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852010201	DG	On-Demand	Clean	MTNR1B	18	49
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852010201	DG	On-Demand	Clean	BIRC2	29	41
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852010202	DG	On-Demand	Clean	MTNR1A	15	49
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852010202	DG	On-Demand	Clean	MTNR1B	18	49
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852010202	DG	On-Demand	Clean	BIRC2	29	41
CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)CCN(C)C(=O)OC	ZINC000852010205	FD	On-Demand	Anodyne	LIMK2	25	40
CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)CCN(C)C(=O)OC	ZINC000852010205	FD	On-Demand	Anodyne	PDS	15	40
Cc1ccncc1N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852010207	EC	On-Demand	Anodyne	HTR1A	16	40
Cc1ccncc1N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852010208	EC	On-Demand	Anodyne	HTR1A	16	40
CC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)C(C)C	ZINC000852010225	CD	On-Demand	Anodyne	EPHX2	18	42
O=C(CN1CC[C@@H](c2ccccn2)C1)Nc1cnccn1	ZINC000852010242	CD	On-Demand	Anodyne	DRD4	17	58
O=C(CN1CC[C@H](c2ccccn2)C1)Nc1cnccn1	ZINC000852010243	CD	On-Demand	Anodyne	DRD4	17	58
O=C(NCc1ncccn1)NCC1(c2ccc3c(c2)OCO3)CCOCC1	ZINC000852010264	FD	On-Demand	Anodyne	CLK4	49	32
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1Cl	ZINC000852010266	EF	On-Demand	Anodyne	OPRL1	44	41
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1Cl	ZINC000852010266	EF	On-Demand	Anodyne	L3MBTL3	63	40
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1Cl	ZINC000852010268	EF	On-Demand	Anodyne	OPRL1	44	41
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1Cl	ZINC000852010268	EF	On-Demand	Anodyne	L3MBTL3	63	40
CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852010277	GD	On-Demand	Anodyne	SIGMAR1	16	40
NC(=O)[C@](O)(CN1CCC(F)(c2ccc(Cl)cc2)CC1)c1ccccc1	ZINC000852010287	GF	On-Demand	Anodyne	CCR1	55	44
NC(=O)[C@@](O)(CN1CCC(F)(c2ccc(Cl)cc2)CC1)c1ccccc1	ZINC000852010289	GF	On-Demand	Anodyne	CCR1	55	44
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852010294	GC	On-Demand	Reactive	MCHR1	24	43
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)c1	ZINC000852010294	GC	On-Demand	Reactive	L3MBTL3	51	37
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852010295	GC	On-Demand	Reactive	MCHR1	24	43
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)c1	ZINC000852010295	GC	On-Demand	Reactive	L3MBTL3	51	37
O=C(Cc1ccccc1)OCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010296	ED	On-Demand	Anodyne	SLC6A1	72	39
O=C(Cc1ccccc1)OCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010296	ED	On-Demand	Anodyne	LTA4H	36	42
O=C(Cc1ccccc1)OCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010296	ED	On-Demand	Anodyne	HRH3	28	43
O=C(Cc1ccccc1)OCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010296	ED	On-Demand	Anodyne	SIGMAR1	43	47
O=C(Cc1ccccc1)OCCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010296	ED	On-Demand	Anodyne	L3MBTL3	79	42
O=C(Cc1ccccc1)OCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010297	ED	On-Demand	Anodyne	SLC6A1	72	39
O=C(Cc1ccccc1)OCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010297	ED	On-Demand	Anodyne	LTA4H	36	42
O=C(Cc1ccccc1)OCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010297	ED	On-Demand	Anodyne	HRH3	28	43
O=C(Cc1ccccc1)OCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010297	ED	On-Demand	Anodyne	SIGMAR1	43	47
O=C(Cc1ccccc1)OCCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010297	ED	On-Demand	Anodyne	L3MBTL3	79	42
O=C(CN1CCC[C@H](N2CCOCC2)CC1)Nc1cccnc1Cl	ZINC000852010308	FD	On-Demand	Anodyne	G2YM83_BOTF4	66	34
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)Nc1cccnc1Cl	ZINC000852010309	FD	On-Demand	Anodyne	G2YM83_BOTF4	66	34
Brc1ncn(CCN2CCC[C@@H](N3CCOCC3)CC2)n1	ZINC000852010311	FD	On-Demand	Anodyne	L3MBTL3	40	43
Brc1ncn(CCN2CCC[C@H](N3CCOCC3)CC2)n1	ZINC000852010312	FD	On-Demand	Anodyne	L3MBTL3	40	43
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852010322	GD	On-Demand	Reactive	CCR2	15	41
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852010322	GD	On-Demand	Reactive	MCHR1	19	43
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852010322	GD	On-Demand	Reactive	CACNA1I	43	42
O=C(CN1CCC[C@H](N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852010322	GD	On-Demand	Reactive	L3MBTL3	70	38
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852010323	GD	On-Demand	Reactive	CCR2	15	41
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852010323	GD	On-Demand	Reactive	MCHR1	19	43
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852010323	GD	On-Demand	Reactive	CACNA1I	43	42
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852010323	GD	On-Demand	Reactive	L3MBTL3	70	38
O=C(CCN1CCC[C@H](N2CCOCC2)CC1)N1CCCC1	ZINC000852010332	DD	On-Demand	Anodyne	L3MBTL3	84	42
O=C(CCN1CCC[C@@H](N2CCOCC2)CC1)N1CCCC1	ZINC000852010333	DD	On-Demand	Anodyne	L3MBTL3	84	42
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852010334	ED	On-Demand	Anodyne	HRH3	17	45
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852010334	ED	On-Demand	Anodyne	PREP	41	38
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852010334	ED	On-Demand	Anodyne	SLC12A5	50	39
O=C(CN1CCC[C@@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852010334	ED	On-Demand	Anodyne	L3MBTL3	85	39
O=C(CN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852010335	ED	On-Demand	Anodyne	HRH3	17	45
O=C(CN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852010335	ED	On-Demand	Anodyne	PREP	41	38
O=C(CN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852010335	ED	On-Demand	Anodyne	SLC12A5	50	39
O=C(CN1CCC[C@H](N2CCOCC2)CC1)OCc1ccccc1	ZINC000852010335	ED	On-Demand	Anodyne	L3MBTL3	85	39
N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852010376	GC	On-Demand	Reactive	L3MBTL3	79	38
N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852010378	GC	On-Demand	Reactive	L3MBTL3	79	38
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	CHRM2	18	42
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	DRD2	27	52
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	DRD4	58	52
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	ACHE	62	52
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	HRH1	16	41
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	DRD3	19	48
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	SLC6A3	20	45
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	HTR4	63	49
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	CHRM3	22	40
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	GRIN2B	53	38
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	LTA4H	27	40
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	SIGMAR1	83	50
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	BCHE	20	44
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	CCR3	55	44
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	MCHR1	26	42
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	CACNA1G	30	41
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	CACNA1I	70	45
O=C(NCC1CCN(Cc2ccccc2)CC1)NCC1SCCS1	ZINC000852010390	FG	On-Demand	Anodyne	NPFFR1	41	37
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852010393	FF	On-Demand	Anodyne	CCR2	30	40
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852010394	FF	On-Demand	Anodyne	CCR2	30	40
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852010395	FF	On-Demand	Anodyne	CCR2	30	40
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852010396	FF	On-Demand	Anodyne	CCR2	30	40
O=C(c1cccc(CN2CCC[C@H](N3CCOCC3)CC2)c1)C(F)(F)F	ZINC000852010399	FG	On-Demand	Anodyne	ACHE	24	45
O=C(c1cccc(CN2CCC[C@H](N3CCOCC3)CC2)c1)C(F)(F)F	ZINC000852010399	FG	On-Demand	Anodyne	HRH3	19	44
O=C(c1cccc(CN2CCC[C@H](N3CCOCC3)CC2)c1)C(F)(F)F	ZINC000852010399	FG	On-Demand	Anodyne	MCHR1	16	40
O=C(c1cccc(CN2CCC[C@H](N3CCOCC3)CC2)c1)C(F)(F)F	ZINC000852010399	FG	On-Demand	Anodyne	L3MBTL3	76	45
O=C(c1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)c1)C(F)(F)F	ZINC000852010400	FG	On-Demand	Anodyne	ACHE	24	45
O=C(c1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)c1)C(F)(F)F	ZINC000852010400	FG	On-Demand	Anodyne	HRH3	19	44
O=C(c1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)c1)C(F)(F)F	ZINC000852010400	FG	On-Demand	Anodyne	MCHR1	16	40
O=C(c1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)c1)C(F)(F)F	ZINC000852010400	FG	On-Demand	Anodyne	L3MBTL3	76	45
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1cccc2ccccc12	ZINC000852010402	FG	On-Demand	Anodyne	L3MBTL3	48	37
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1cccc2ccccc12	ZINC000852010403	FG	On-Demand	Anodyne	L3MBTL3	48	37
c1ccc2c(c1)CC[C@@H]2CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010415	DF	On-Demand	Anodyne	SIGMAR1	21	46
c1ccc2c(c1)CC[C@@H]2CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010415	DF	On-Demand	Anodyne	L3MBTL3	42	41
c1ccc2c(c1)CC[C@H]2CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010416	DF	On-Demand	Anodyne	SIGMAR1	21	46
c1ccc2c(c1)CC[C@H]2CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010416	DF	On-Demand	Anodyne	L3MBTL3	42	41
c1ccc2c(c1)CC[C@H]2CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010417	DF	On-Demand	Anodyne	SIGMAR1	21	46
c1ccc2c(c1)CC[C@H]2CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010417	DF	On-Demand	Anodyne	L3MBTL3	42	41
c1ccc2c(c1)CC[C@@H]2CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010418	DF	On-Demand	Anodyne	SIGMAR1	21	46
c1ccc2c(c1)CC[C@@H]2CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010418	DF	On-Demand	Anodyne	L3MBTL3	42	41
c1ccc(Cn2cc(CN3CCC[C@H](N4CCOCC4)CC3)nn2)cc1	ZINC000852010423	FE	On-Demand	Anodyne	HRH3	16	46
c1ccc(Cn2cc(CN3CCC[C@H](N4CCOCC4)CC3)nn2)cc1	ZINC000852010423	FE	On-Demand	Anodyne	SIGMAR1	37	41
c1ccc(Cn2cc(CN3CCC[C@@H](N4CCOCC4)CC3)nn2)cc1	ZINC000852010424	FE	On-Demand	Anodyne	HRH3	16	46
c1ccc(Cn2cc(CN3CCC[C@@H](N4CCOCC4)CC3)nn2)cc1	ZINC000852010424	FE	On-Demand	Anodyne	SIGMAR1	37	41
C#C[C@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010425	FF	On-Demand	Mild	DRD2	15	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010425	FF	On-Demand	Mild	DRD4	33	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010425	FF	On-Demand	Mild	ACHE	48	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010425	FF	On-Demand	Mild	HTR4	49	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010425	FF	On-Demand	Mild	SIGMAR1	50	41
C#C[C@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010425	FF	On-Demand	Mild	CACNA1I	55	38
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010426	FF	On-Demand	Mild	DRD2	15	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010426	FF	On-Demand	Mild	DRD4	33	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010426	FF	On-Demand	Mild	ACHE	48	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010426	FF	On-Demand	Mild	HTR4	49	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010426	FF	On-Demand	Mild	SIGMAR1	50	41
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852010426	FF	On-Demand	Mild	CACNA1I	55	38
Brc1cc(CN2CCC[C@H](N3CCOCC3)CC2)ccn1	ZINC000852010440	FF	On-Demand	Anodyne	HRH3	17	44
Brc1cc(CN2CCC[C@H](N3CCOCC3)CC2)ccn1	ZINC000852010440	FF	On-Demand	Anodyne	L3MBTL3	43	42
Brc1cc(CN2CCC[C@@H](N3CCOCC3)CC2)ccn1	ZINC000852010441	FF	On-Demand	Anodyne	HRH3	17	44
Brc1cc(CN2CCC[C@@H](N3CCOCC3)CC2)ccn1	ZINC000852010441	FF	On-Demand	Anodyne	L3MBTL3	43	42
C[S@@](=O)CCN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010443	CC	On-Demand	Anodyne	L3MBTL3	31	42
C[S@@](=O)CCN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010444	CC	On-Demand	Anodyne	L3MBTL3	31	42
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	DRD2	23	48
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	DRD4	49	48
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	ACHE	63	58
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	DRD3	17	45
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	SLC6A3	21	45
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	HTR4	48	46
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	SIGMAR1	70	46
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	BCHE	19	48
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	CCR3	53	43
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	MCHR1	21	42
O=C(NCCC1SCCS1)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010446	GG	On-Demand	Anodyne	CACNA1I	63	42
N#C[C@H](c1ccccc1)N1CCC=C(Br)C1	ZINC000852010451	CG	On-Demand	Mild	PTAFR	20	40
N#C[C@@H](c1ccccc1)N1CCC=C(Br)C1	ZINC000852010452	CG	On-Demand	Mild	PTAFR	20	40
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	CHRM2	18	44
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	DRD2	27	52
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	DRD4	53	52
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	ACHE	63	55
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	DRD3	19	46
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	SLC6A3	15	42
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	HTR4	55	47
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	SIGMAR1	67	47
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	SSTR5	40	34
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	BCHE	19	44
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	CCR3	53	42
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	CCR5	19	42
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	MCHR1	33	45
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2)CC1	ZINC000852010453	FD	On-Demand	Anodyne	CACNA1I	67	43
CN(C)c1ccc(NC(=O)CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852010457	FE	On-Demand	Anodyne	EPHX2	19	41
CN(C)c1ccc(NC(=O)CCN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852010457	FE	On-Demand	Anodyne	L3MBTL3	47	38
CN(C)c1ccc(NC(=O)CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852010458	FE	On-Demand	Anodyne	EPHX2	19	41
CN(C)c1ccc(NC(=O)CCN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852010458	FE	On-Demand	Anodyne	L3MBTL3	47	38
O=C1[C@H](N2CCC[C@H](N3CCOCC3)CC2)CCCN1Cc1ccccc1	ZINC000852010460	FE	On-Demand	Anodyne	L3MBTL3	64	40
O=C1[C@H](N2CCC[C@@H](N3CCOCC3)CC2)CCCN1Cc1ccccc1	ZINC000852010461	FE	On-Demand	Anodyne	L3MBTL3	64	40
O=C1[C@@H](N2CCC[C@@H](N3CCOCC3)CC2)CCCN1Cc1ccccc1	ZINC000852010462	FE	On-Demand	Anodyne	L3MBTL3	64	40
O=C1[C@@H](N2CCC[C@H](N3CCOCC3)CC2)CCCN1Cc1ccccc1	ZINC000852010463	FE	On-Demand	Anodyne	L3MBTL3	64	40
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	CHRM2	18	45
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	DRD2	17	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	DRD4	43	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	ACHE	47	46
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	HTR4	52	42
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	CHRM3	16	45
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	LTA4H	23	48
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	SIGMAR1	56	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010468	GE	On-Demand	Anodyne	CACNA1I	47	38
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	CHRM2	18	45
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	DRD2	17	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	DRD4	43	44
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	ACHE	47	46
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	HTR4	52	42
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	CHRM3	16	45
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	LTA4H	23	48
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	SIGMAR1	56	41
O=C(NCC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010469	GE	On-Demand	Anodyne	CACNA1I	47	38
CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@H](N3CCOCC3)CC2)cc1	ZINC000852010495	FG	On-Demand	Anodyne	MTOR	40	37
CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@@H](N3CCOCC3)CC2)cc1	ZINC000852010497	FG	On-Demand	Anodyne	MTOR	40	37
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1F	ZINC000852010521	DE	On-Demand	Anodyne	L3MBTL3	44	38
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1F	ZINC000852010522	DE	On-Demand	Anodyne	L3MBTL3	44	38
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1F	ZINC000852010523	DE	On-Demand	Anodyne	L3MBTL3	44	38
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1F	ZINC000852010524	DE	On-Demand	Anodyne	L3MBTL3	44	38
COC(=O)c1nc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1Cl	ZINC000852010549	FF	On-Demand	Anodyne	EPHX2	24	44
COC(=O)c1nc(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2)ccc1Cl	ZINC000852010550	FF	On-Demand	Anodyne	EPHX2	24	44
COC(=O)c1nc(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)ccc1Cl	ZINC000852010551	FF	On-Demand	Anodyne	EPHX2	24	44
COC(=O)c1nc(CNC(=O)N[C@H]2C[C@H]2c2ccccc2)ccc1Cl	ZINC000852010552	FF	On-Demand	Anodyne	EPHX2	24	44
O[C@H](CN1CCCC1)CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010561	DC	On-Demand	Anodyne	L3MBTL3	46	41
O[C@H](CN1CCCC1)CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010562	DC	On-Demand	Anodyne	L3MBTL3	46	41
O[C@@H](CN1CCCC1)CN1CCC[C@H](N2CCOCC2)CC1	ZINC000852010563	DC	On-Demand	Anodyne	L3MBTL3	46	41
O[C@@H](CN1CCCC1)CN1CCC[C@@H](N2CCOCC2)CC1	ZINC000852010564	DC	On-Demand	Anodyne	L3MBTL3	46	41
C[C@H]1CN(Cc2cccc(CNC(=O)NNc3ccc(Cl)cn3)c2)CCO1	ZINC000852010570	GF	On-Demand	Reactive	DRD4	29	40
C[C@@H]1CN(Cc2cccc(CNC(=O)NNc3ccc(Cl)cn3)c2)CCO1	ZINC000852010571	GF	On-Demand	Reactive	DRD4	29	40
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852010597	GE	On-Demand	Clean	EPHX2	25	56
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852010598	GE	On-Demand	Clean	EPHX2	25	56
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852010599	GE	On-Demand	Clean	EPHX2	25	56
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852010600	GE	On-Demand	Clean	EPHX2	25	56
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H]1C=CCC1	ZINC000852010613	DF	On-Demand	Anodyne	NOS2	95	34
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H]1C=CCC1	ZINC000852010614	DF	On-Demand	Anodyne	NOS2	95	34
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(-n2ccnc2)c(F)c1	ZINC000852010617	GE	On-Demand	Anodyne	NOS2	43	30
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(-n2ccnc2)c(F)c1	ZINC000852010618	GE	On-Demand	Anodyne	NOS2	43	30
O=S(=O)(CCN1CCC[C@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852010639	GE	On-Demand	Anodyne	L3MBTL3	44	42
O=S(=O)(CCN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852010640	GE	On-Demand	Anodyne	L3MBTL3	44	42
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)N1	ZINC000852010646	DE	On-Demand	Anodyne	EPHX2	26	52
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)N1	ZINC000852010647	DE	On-Demand	Anodyne	EPHX2	26	52
O=C1CCC2=C(CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3)C2)N1	ZINC000852010648	DE	On-Demand	Anodyne	EPHX2	26	52
O=C1CCC2=C(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)N1	ZINC000852010649	DE	On-Demand	Anodyne	EPHX2	26	52
c1ccc([C@H]2CCN(CCC3CCC3)C2)nc1	ZINC000852010653	BG	On-Demand	Anodyne	DRD2	18	45
c1ccc([C@H]2CCN(CCC3CCC3)C2)nc1	ZINC000852010653	BG	On-Demand	Anodyne	DRD4	17	45
c1ccc([C@@H]2CCN(CCC3CCC3)C2)nc1	ZINC000852010654	BG	On-Demand	Anodyne	DRD2	18	45
c1ccc([C@@H]2CCN(CCC3CCC3)C2)nc1	ZINC000852010654	BG	On-Demand	Anodyne	DRD4	17	45
O=C(N[C@@H]1C=CCC1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852010655	BF	On-Demand	Anodyne	EPHX2	24	54
O=C(N[C@@H]1C=CCC1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852010656	BF	On-Demand	Anodyne	EPHX2	24	54
O=C(N[C@@H]1C=CCC1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852010657	BF	On-Demand	Anodyne	EPHX2	24	54
O=C(N[C@@H]1C=CCC1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852010658	BF	On-Demand	Anodyne	EPHX2	24	54
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852010661	FD	On-Demand	Anodyne	EPHX2	20	42
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852010662	FD	On-Demand	Anodyne	EPHX2	20	42
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1	ZINC000852010663	FD	On-Demand	Anodyne	EPHX2	20	42
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852010664	FD	On-Demand	Anodyne	EPHX2	20	42
O[C@@H]1CCC[C@H]1N1CC[C@H](c2ccccn2)C1	ZINC000852010671	BD	On-Demand	Anodyne	SLC18A3	82	51
O[C@@H]1CCC[C@H]1N1CC[C@@H](c2ccccn2)C1	ZINC000852010672	BD	On-Demand	Anodyne	SLC18A3	82	51
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852010691	FD	On-Demand	Anodyne	NOS2	108	41
O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852010692	FD	On-Demand	Anodyne	NOS2	108	41
O[C@H](CN1CCC(c2cccc(Br)c2)CC1)c1ccccn1	ZINC000852010714	FH	On-Demand	Anodyne	SLC18A3	24	54
O[C@@H](CN1CCC(c2cccc(Br)c2)CC1)c1ccccn1	ZINC000852010715	FH	On-Demand	Anodyne	SLC18A3	24	54
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852010781	GH	On-Demand	Anodyne	EPHX2	25	46
O=C(N[C@H]1C[C@H]1c1ccccc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852010783	GH	On-Demand	Anodyne	EPHX2	25	46
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852010784	GH	On-Demand	Anodyne	EPHX2	25	46
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)on3)C2)cc1	ZINC000852010813	EE	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)on3)C2)cc1	ZINC000852010813	EE	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)on3)C2)cc1	ZINC000852010813	EE	On-Demand	Clean	PDK1	41	35
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)on3)C2)cc1	ZINC000852010813	EE	On-Demand	Clean	MCHR1	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)on3)C2)cc1	ZINC000852010813	EE	On-Demand	Clean	NPBWR1	43	30
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852010833	FF	On-Demand	Anodyne	EPHX2	32	55
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852010834	FF	On-Demand	Anodyne	EPHX2	32	55
C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852010835	FF	On-Demand	Anodyne	EPHX2	32	55
C[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852010836	FF	On-Demand	Anodyne	EPHX2	32	55
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCn2ncc(Br)c2C1	ZINC000852010837	FF	On-Demand	Anodyne	EPHX2	25	49
O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCn2ncc(Br)c2C1	ZINC000852010838	FF	On-Demand	Anodyne	EPHX2	25	49
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCn2ncc(Br)c2C1	ZINC000852010839	FF	On-Demand	Anodyne	EPHX2	25	49
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852010853	FD	On-Demand	Reactive	EPHX2	20	44
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1C[C@H]1c1ccccc1	ZINC000852010854	FD	On-Demand	Reactive	EPHX2	20	44
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852010855	FD	On-Demand	Reactive	EPHX2	20	44
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852010856	FD	On-Demand	Reactive	EPHX2	20	44
COCCN(CCF)C(=O)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852010867	CE	On-Demand	Anodyne	EPHX2	20	40
COCCN(CCF)C(=O)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852010868	CE	On-Demand	Anodyne	EPHX2	20	40
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1)C2	ZINC000852010885	FG	On-Demand	Anodyne	EPHX2	24	41
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)N[C@H]1C[C@@H]1c1ccccc1)C2	ZINC000852010886	FG	On-Demand	Anodyne	EPHX2	24	41
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)N[C@@H]1C[C@H]1c1ccccc1)C2	ZINC000852010887	FG	On-Demand	Anodyne	EPHX2	24	41
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)N[C@H]1C[C@H]1c1ccccc1)C2	ZINC000852010888	FG	On-Demand	Anodyne	EPHX2	24	41
O=C(c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010897	FF	On-Demand	Anodyne	HRH3	60	50
O=C(c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010897	FF	On-Demand	Anodyne	CCR3	32	44
O=C(c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010897	FF	On-Demand	Anodyne	MTOR	17	45
O=C(c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010897	FF	On-Demand	Anodyne	CXCR3	19	41
O=C(c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010897	FF	On-Demand	Anodyne	L3MBTL3	159	74
O=C(c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010898	FF	On-Demand	Anodyne	HRH3	60	50
O=C(c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010898	FF	On-Demand	Anodyne	CCR3	32	44
O=C(c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010898	FF	On-Demand	Anodyne	MTOR	17	45
O=C(c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010898	FF	On-Demand	Anodyne	CXCR3	19	41
O=C(c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1)N1CCCC1	ZINC000852010898	FF	On-Demand	Anodyne	L3MBTL3	159	74
CC[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCCO1	ZINC000852010901	CC	On-Demand	Anodyne	CYP2J2	49	35
CC[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CCCO1	ZINC000852010904	CC	On-Demand	Anodyne	CYP2J2	49	35
O=C(NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)N[C@H]1C[C@H]1c1ccccc1	ZINC000852010905	FD	On-Demand	Reactive	EPHX2	19	42
O=C(NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852010906	FD	On-Demand	Reactive	EPHX2	19	42
O=C(NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852010907	FD	On-Demand	Reactive	EPHX2	19	42
O=C(NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852010908	FD	On-Demand	Reactive	EPHX2	19	42
O=C1CCC2=C(CCN(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)C2)N1	ZINC000852010944	FE	On-Demand	Anodyne	NOS2	75	34
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852010955	EE	On-Demand	Anodyne	EPHX2	33	58
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852010955	EE	On-Demand	Anodyne	SMO	32	40
O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852010956	EE	On-Demand	Anodyne	EPHX2	33	58
O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852010956	EE	On-Demand	Anodyne	SMO	32	40
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852010958	EE	On-Demand	Anodyne	EPHX2	33	58
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852010958	EE	On-Demand	Anodyne	SMO	32	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010971	FG	On-Demand	Clean	DRD4	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010971	FG	On-Demand	Clean	SLC6A4	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010971	FG	On-Demand	Clean	SLC6A3	35	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010971	FG	On-Demand	Clean	SIGMAR1	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010971	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010971	FG	On-Demand	Clean	EPHX2	35	69
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010971	FG	On-Demand	Clean	NPBWR1	46	31
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010972	FG	On-Demand	Clean	DRD4	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010972	FG	On-Demand	Clean	SLC6A4	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010972	FG	On-Demand	Clean	SLC6A3	35	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010972	FG	On-Demand	Clean	SIGMAR1	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010972	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010972	FG	On-Demand	Clean	EPHX2	35	69
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010972	FG	On-Demand	Clean	NPBWR1	46	31
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010973	FG	On-Demand	Clean	DRD4	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010973	FG	On-Demand	Clean	SLC6A4	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010973	FG	On-Demand	Clean	SLC6A3	35	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010973	FG	On-Demand	Clean	SIGMAR1	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010973	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010973	FG	On-Demand	Clean	EPHX2	35	69
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852010973	FG	On-Demand	Clean	NPBWR1	46	31
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010974	FG	On-Demand	Clean	DRD4	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010974	FG	On-Demand	Clean	SLC6A4	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010974	FG	On-Demand	Clean	SLC6A3	35	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010974	FG	On-Demand	Clean	SIGMAR1	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010974	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010974	FG	On-Demand	Clean	EPHX2	35	69
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852010974	FG	On-Demand	Clean	NPBWR1	46	31
C#CCN(CC#N)Cc1nc2ccc(C(=O)OC)cc2[nH]1	ZINC000852010984	CD	On-Demand	Mild	TYMS	47	36
C#CCN(CC#N)Cc1nc2ccc(C(=O)OC)cc2[nH]1	ZINC000852010984	CD	On-Demand	Mild	CSNK1E	15	42
O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852011004	DF	On-Demand	Anodyne	EPHX2	22	42
O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852011005	DF	On-Demand	Anodyne	EPHX2	22	42
C#C[C@H](NC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C1CCOCC1	ZINC000852011006	FE	On-Demand	Mild	NOS2	93	35
C#C[C@@H](NC(=O)NCc1ccc(-n2ccnc2)c(F)c1)C1CCOCC1	ZINC000852011007	FE	On-Demand	Mild	NOS2	93	35
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000852011019	DE	On-Demand	Anodyne	SLC6A3	17	42
O[C@@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000852011019	DE	On-Demand	Anodyne	L3MBTL3	41	39
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000852011020	DE	On-Demand	Anodyne	SLC6A3	17	42
O[C@H](CN1CCC[C@@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000852011020	DE	On-Demand	Anodyne	L3MBTL3	41	39
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000852011021	DE	On-Demand	Anodyne	SLC6A3	17	42
O[C@@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000852011021	DE	On-Demand	Anodyne	L3MBTL3	41	39
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000852011022	DE	On-Demand	Anodyne	SLC6A3	17	42
O[C@H](CN1CCC[C@H](N2CCOCC2)CC1)c1ccc(F)cc1	ZINC000852011022	DE	On-Demand	Anodyne	L3MBTL3	41	39
COCCN(CCF)C(=O)NCc1ccc(-n2ccnc2)c(F)c1	ZINC000852011027	EE	On-Demand	Anodyne	NOS2	86	35
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@H]1c1ccccc1	ZINC000852011032	GD	On-Demand	Reactive	EPHX2	20	41
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852011033	GD	On-Demand	Reactive	EPHX2	20	41
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N[C@H]1C[C@@H]1c1ccccc1	ZINC000852011034	GD	On-Demand	Reactive	EPHX2	20	41
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852011035	GD	On-Demand	Reactive	EPHX2	20	41
COC(=O)N(C)CCNC(=O)NCc1ccc(-n2ccnc2)c(F)c1	ZINC000852011082	ED	On-Demand	Anodyne	NOS2	85	34
CCN(CC)C(=O)CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852011088	FF	On-Demand	Anodyne	MDM2	50	31
CCN(CC)C(=O)CNC(=O)NNc1ccc(Cl)cn1	ZINC000852011110	CD	On-Demand	Reactive	F10	33	44
CCN(CC)C(=O)CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852011146	DD	On-Demand	Anodyne	CACNA1I	52	35
CCN(CC)C(=O)CNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852011177	EF	On-Demand	Anodyne	DNAE	87	37
CCN(CC)C(=O)CNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852011177	EF	On-Demand	Anodyne	RPA1	41	32
CCN(CC)C(=O)CNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852011193	FF	On-Demand	Anodyne	ACKR3	66	35
CCN(CC)C(=O)CNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852011194	FF	On-Demand	Anodyne	ACKR3	66	35
O=C(NCCCc1cccc(C(F)(F)F)c1)NCC1SCCS1	ZINC000852011278	FH	On-Demand	Anodyne	PDS	32	41
N#Cc1ccc(CCN2CCC=C(Br)C2)cc1	ZINC000852011300	CG	On-Demand	Mild	KCNJ1	38	64
O=C(NCCCc1cccc(C(F)(F)F)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852011426	GG	On-Demand	Anodyne	CCR2	45	37
O=C(NCCCc1cccc(C(F)(F)F)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852011426	GG	On-Demand	Anodyne	LUXR	19	45
CCN(CC)C(=O)CNC(=O)N1CCc2ccc(C(C)C)cc2C1	ZINC000852011457	EF	On-Demand	Anodyne	MAPK1	42	34
CCN(CC)C(=O)CNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852011464	DD	On-Demand	Anodyne	EPHX2	37	40
CCN(CC)C(=O)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852011525	EC	On-Demand	Anodyne	PYGL	34	48
CCN(CC)C(=O)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852011525	EC	On-Demand	Anodyne	PYGM	31	48
CCN(CC)C(=O)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852011525	EC	On-Demand	Anodyne	TPP2	47	33
CCN(CC)C(=O)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852011526	EC	On-Demand	Anodyne	PYGL	34	48
CCN(CC)C(=O)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852011526	EC	On-Demand	Anodyne	PYGM	31	48
CCN(CC)C(=O)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852011526	EC	On-Demand	Anodyne	TPP2	47	33
CCN(CC)C(=O)CNC(=O)N[C@H](C)Cc1ccc(F)cc1C	ZINC000852011531	DE	On-Demand	Anodyne	P2RX7	20	40
CCN(CC)C(=O)CNC(=O)N[C@@H](C)Cc1ccc(F)cc1C	ZINC000852011532	DE	On-Demand	Anodyne	P2RX7	20	40
CCN(CC)C(=O)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852011537	DD	On-Demand	Anodyne	DRD4	43	33
CCN(CC)C(=O)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852011537	DD	On-Demand	Anodyne	DRD5	16	43
CCN(CC)C(=O)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852011537	DD	On-Demand	Anodyne	MTNR1A	42	44
CCN(CC)C(=O)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852011537	DD	On-Demand	Anodyne	MTNR1B	43	44
O=C(NCCCc1cccc(C(F)(F)F)c1)N[C@H]1C=CCC1	ZINC000852011551	DH	On-Demand	Anodyne	CCR2	43	36
O=C(NCCCc1cccc(C(F)(F)F)c1)N[C@H]1C=CCC1	ZINC000852011551	DH	On-Demand	Anodyne	PDS	36	42
O=C(NCCCc1cccc(C(F)(F)F)c1)N[C@@H]1C=CCC1	ZINC000852011552	DH	On-Demand	Anodyne	CCR2	43	36
O=C(NCCCc1cccc(C(F)(F)F)c1)N[C@@H]1C=CCC1	ZINC000852011552	DH	On-Demand	Anodyne	PDS	36	42
CC(C)(C)OC(=O)N1CCO[C@H](CN[C@@]2(CO)CCOc3ccccc32)C1	ZINC000852011561	GD	On-Demand	Anodyne	GHRHR	42	30
CC(C)(C)OC(=O)N1CCO[C@@H](CN[C@@]2(CO)CCOc3ccccc32)C1	ZINC000852011562	GD	On-Demand	Anodyne	GHRHR	42	30
CC(C)(C)OC(=O)N1CCO[C@H](CN[C@]2(CO)CCOc3ccccc32)C1	ZINC000852011563	GD	On-Demand	Anodyne	GHRHR	42	30
CC(C)(C)OC(=O)N1CCO[C@@H](CN[C@]2(CO)CCOc3ccccc32)C1	ZINC000852011564	GD	On-Demand	Anodyne	GHRHR	42	30
COC(=O)N(C)CCNC(=O)NCCCc1cccc(C(F)(F)F)c1	ZINC000852011569	FF	On-Demand	Anodyne	TACR1	16	47
COC(=O)N(C)CCNC(=O)NCCCc1cccc(C(F)(F)F)c1	ZINC000852011569	FF	On-Demand	Anodyne	MTNR1A	20	43
COC(=O)N(C)CCNC(=O)NCCCc1cccc(C(F)(F)F)c1	ZINC000852011569	FF	On-Demand	Anodyne	MTNR1B	21	43
COC(=O)N(C)CCNC(=O)NCCCc1cccc(C(F)(F)F)c1	ZINC000852011569	FF	On-Demand	Anodyne	PDS	42	44
O=C(NCCCc1cccc(C(F)(F)F)c1)NCc1ncccn1	ZINC000852011574	EF	On-Demand	Anodyne	HRH2	15	40
O=C(NCCCc1cccc(C(F)(F)F)c1)NCc1ncccn1	ZINC000852011574	EF	On-Demand	Anodyne	PDS	44	44
CCN(CC)C(=O)CNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852011590	ED	On-Demand	Anodyne	MTNR1A	15	42
CCN(CC)C(=O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852011599	ED	On-Demand	Clean	MTNR1A	15	51
CCN(CC)C(=O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852011599	ED	On-Demand	Clean	MTNR1B	15	51
CCN(CC)C(=O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852011599	ED	On-Demand	Clean	EPHX2	17	44
CCN(CC)C(=O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852011600	ED	On-Demand	Clean	MTNR1A	15	51
CCN(CC)C(=O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852011600	ED	On-Demand	Clean	MTNR1B	15	51
CCN(CC)C(=O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852011600	ED	On-Demand	Clean	EPHX2	17	44
CCOc1ccccc1CN1CCN(CCOC(F)F)[C@@H](C)C1	ZINC000852011617	EF	On-Demand	Anodyne	SLC6A3	19	45
CCOc1ccccc1CN1CCN(CCOC(F)F)[C@H](C)C1	ZINC000852011618	EF	On-Demand	Anodyne	SLC6A3	19	45
CCN(CC)C(=O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852011641	ED	On-Demand	Anodyne	SCN2A	18	45
CCN(CC)C(=O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852011641	ED	On-Demand	Anodyne	SCN10A	22	45
CCN(CC)C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852011658	FD	On-Demand	Anodyne	ECR	17	40
CCN(CC)C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852011658	FD	On-Demand	Anodyne	SSTR3	32	46
O=C(NCCCc1cccc(C(F)(F)F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852011659	GF	On-Demand	Anodyne	CCR2	53	37
O=C(NCCCc1cccc(C(F)(F)F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852011659	GF	On-Demand	Anodyne	LUXR	19	44
O=C(NCCCc1cccc(C(F)(F)F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852011660	GF	On-Demand	Anodyne	CCR2	53	37
O=C(NCCCc1cccc(C(F)(F)F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852011660	GF	On-Demand	Anodyne	LUXR	19	44
CCN(CC)C(=O)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852011661	FE	On-Demand	Anodyne	SCD1	18	43
CCN(CC)C(=O)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852011661	FE	On-Demand	Anodyne	SCD	29	41
CCN(CC)C(=O)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852011661	FE	On-Demand	Anodyne	TRPM8	22	53
CCN(CC)C(=O)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852011705	ED	On-Demand	Anodyne	MTNR1A	39	44
CCN(CC)C(=O)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852011705	ED	On-Demand	Anodyne	MTNR1B	27	44
CCN(CC)C(=O)CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852011753	ED	On-Demand	Anodyne	OPRM1	16	43
CCN(CC)C(=O)CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852011753	ED	On-Demand	Anodyne	OPRD1	32	43
CCN(CC)C(=O)CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852011753	ED	On-Demand	Anodyne	NPY2R	19	40
CCN(CC)C(=O)CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852011753	ED	On-Demand	Anodyne	CCR5	42	37
CCN(CC)C(=O)CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852011754	ED	On-Demand	Anodyne	OPRM1	16	43
CCN(CC)C(=O)CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852011754	ED	On-Demand	Anodyne	OPRD1	32	43
CCN(CC)C(=O)CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852011754	ED	On-Demand	Anodyne	NPY2R	19	40
CCN(CC)C(=O)CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852011754	ED	On-Demand	Anodyne	CCR5	42	37
CCN(CC)C(=O)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852011759	GF	On-Demand	Anodyne	PDS	44	31
O=C(NCC[S@](=O)CC(F)(F)F)NCc1nc2cc(Cl)ccc2s1	ZINC000852011770	GG	On-Demand	Anodyne	AKR1B1	15	46
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1nc2cc(Cl)ccc2s1	ZINC000852011771	GG	On-Demand	Anodyne	AKR1B1	15	46
CCN(CC)C(=O)CNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852011781	EE	On-Demand	Anodyne	DRD4	41	32
CCN(CC)C(=O)CNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852011781	EE	On-Demand	Anodyne	OPRD1	15	40
CCN(CC)C(=O)CNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852011781	EE	On-Demand	Anodyne	MTNR1B	40	39
CCN(CC)C(=O)CNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852011782	EE	On-Demand	Anodyne	DRD4	41	32
CCN(CC)C(=O)CNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852011782	EE	On-Demand	Anodyne	OPRD1	15	40
CCN(CC)C(=O)CNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852011782	EE	On-Demand	Anodyne	MTNR1B	40	39
COc1ccc(OC)c([C@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852011796	GE	On-Demand	Anodyne	OXTR	24	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852011799	GH	On-Demand	Anodyne	SIRT3	29	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852011799	GH	On-Demand	Anodyne	SIRT2	29	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852011799	GH	On-Demand	Anodyne	SIRT1	29	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852011800	GH	On-Demand	Anodyne	SIRT3	29	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852011800	GH	On-Demand	Anodyne	SIRT2	29	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852011800	GH	On-Demand	Anodyne	SIRT1	29	41
COc1ccc(OC)c([C@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852011803	FG	On-Demand	Reactive	F10	50	33
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@H]1C=CCC1	ZINC000852011806	ED	On-Demand	Anodyne	HRH2	45	43
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@H]1C=CCC1	ZINC000852011806	ED	On-Demand	Anodyne	LTA4H	23	41
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@H]1C=CCC1	ZINC000852011806	ED	On-Demand	Anodyne	EPHX2	36	50
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@@H]1C=CCC1	ZINC000852011807	ED	On-Demand	Anodyne	HRH2	45	43
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@@H]1C=CCC1	ZINC000852011807	ED	On-Demand	Anodyne	LTA4H	23	41
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@@H]1C=CCC1	ZINC000852011807	ED	On-Demand	Anodyne	EPHX2	36	50
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011829	GD	On-Demand	Anodyne	CHRM2	20	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011829	GD	On-Demand	Anodyne	CHRM1	19	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011829	GD	On-Demand	Anodyne	CHRM4	24	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011829	GD	On-Demand	Anodyne	CHRM5	18	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011829	GD	On-Demand	Anodyne	CHRM3	36	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011830	GD	On-Demand	Anodyne	CHRM2	20	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011830	GD	On-Demand	Anodyne	CHRM1	19	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011830	GD	On-Demand	Anodyne	CHRM4	24	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011830	GD	On-Demand	Anodyne	CHRM5	18	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011830	GD	On-Demand	Anodyne	CHRM3	36	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011831	GD	On-Demand	Anodyne	CHRM2	20	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011831	GD	On-Demand	Anodyne	CHRM1	19	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011831	GD	On-Demand	Anodyne	CHRM4	24	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011831	GD	On-Demand	Anodyne	CHRM5	18	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011831	GD	On-Demand	Anodyne	CHRM3	36	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011832	GD	On-Demand	Anodyne	CHRM2	20	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011832	GD	On-Demand	Anodyne	CHRM1	19	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011832	GD	On-Demand	Anodyne	CHRM4	24	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011832	GD	On-Demand	Anodyne	CHRM5	18	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852011832	GD	On-Demand	Anodyne	CHRM3	36	41
COc1ccc(OC)c([C@H](C)NC(=O)NCC2SCCS2)c1	ZINC000852011857	EF	On-Demand	Anodyne	MTNR1A	43	36
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@@H](C#N)c2ccccc2)C1	ZINC000852011879	EH	On-Demand	Mild	PTAFR	34	42
CC(C)(C)OC(=O)NCC[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1	ZINC000852011880	EH	On-Demand	Mild	PTAFR	34	42
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@H](C#N)c2ccccc2)C1	ZINC000852011881	EH	On-Demand	Mild	PTAFR	34	42
CC(C)(C)OC(=O)NCC[C@@H]1CCCN([C@@H](C#N)c2ccccc2)C1	ZINC000852011882	EH	On-Demand	Mild	PTAFR	34	42
CCN(CC)C(=O)CNC(=O)NCc1cc(F)ccc1OC(F)F	ZINC000852011894	EE	On-Demand	Anodyne	P2RX7	32	41
COCCN(CCF)C(=O)NCCCc1cccc(C(F)(F)F)c1	ZINC000852011910	FG	On-Demand	Anodyne	CRTM	44	39
COCCN(CCF)C(=O)NCCCc1cccc(C(F)(F)F)c1	ZINC000852011910	FG	On-Demand	Anodyne	PDS	41	43
CCN(CC)C(=O)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852011911	ED	On-Demand	Anodyne	DRD2	20	41
CCN(CC)C(=O)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852011911	ED	On-Demand	Anodyne	OPRD1	22	42
CCN(CC)C(=O)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852011911	ED	On-Demand	Anodyne	SIGMAR1	26	44
CCN(CC)C(=O)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852011912	ED	On-Demand	Anodyne	DRD2	20	41
CCN(CC)C(=O)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852011912	ED	On-Demand	Anodyne	OPRD1	22	42
CCN(CC)C(=O)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852011912	ED	On-Demand	Anodyne	SIGMAR1	26	44
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	HTR1A	173	56
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	ADRA2A	19	42
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	DRD2	143	54
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	DRD1	38	48
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	DRD4	81	54
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	ADRA1D	79	47
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	HTR1B	23	42
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	HTR2A	110	56
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	HTR2C	57	53
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	SLC6A4	33	52
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	ADRA1A	95	52
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	ADRA1B	65	47
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	DRD3	153	55
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	DRD5	19	40
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	HRP1_PLAFA	76	40
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	HTR7	153	48
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	FGFR1	23	40
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	CCR3	18	42
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	HTR6	21	48
O=C(NCCCN1CCN(c2ccccc2Cl)CC1)NCc1ncccn1	ZINC000852011938	GE	On-Demand	Anodyne	HNMT	63	35
O=C(NCCCc1cccc(C(F)(F)F)c1)NCCC1SCCS1	ZINC000852011942	GI	On-Demand	Anodyne	PDS	32	41
CCN(CC)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852011975	FD	On-Demand	Anodyne	ACHE	31	47
CCN(CC)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852011975	FD	On-Demand	Anodyne	HTR4	45	43
CCN(CC)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852011975	FD	On-Demand	Anodyne	SIGMAR1	28	47
CCN(CC)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852011975	FD	On-Demand	Anodyne	SSTR5	58	36
CCN(CC)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852011975	FD	On-Demand	Anodyne	CCR3	28	41
CCN(CC)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852011975	FD	On-Demand	Anodyne	CACNA1I	67	43
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852011991	EF	On-Demand	Anodyne	SLC18A3	19	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852011991	EF	On-Demand	Anodyne	SIRT3	15	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852011991	EF	On-Demand	Anodyne	SIRT2	21	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852011991	EF	On-Demand	Anodyne	SIRT1	19	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852012018	FH	On-Demand	Mild	HRH3	19	42
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852012018	FH	On-Demand	Mild	GPBAR1	31	42
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852012018	FH	On-Demand	Mild	BIRC2	32	40
CC(C)(C)OC(=O)NCC[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852012019	FH	On-Demand	Mild	HRH3	19	42
CC(C)(C)OC(=O)NCC[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852012019	FH	On-Demand	Mild	GPBAR1	31	42
CC(C)(C)OC(=O)NCC[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852012019	FH	On-Demand	Mild	BIRC2	32	40
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CC2(O)CCSCC2)C1	ZINC000852012021	FF	On-Demand	Anodyne	SIRT3	18	40
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CC2(O)CCSCC2)C1	ZINC000852012021	FF	On-Demand	Anodyne	SIRT2	21	40
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CC2(O)CCSCC2)C1	ZINC000852012021	FF	On-Demand	Anodyne	SIRT1	19	40
CC(C)(C)OC(=O)NCC[C@H]1CCCN(CC2(O)CCSCC2)C1	ZINC000852012022	FF	On-Demand	Anodyne	SIRT3	18	40
CC(C)(C)OC(=O)NCC[C@H]1CCCN(CC2(O)CCSCC2)C1	ZINC000852012022	FF	On-Demand	Anodyne	SIRT2	21	40
CC(C)(C)OC(=O)NCC[C@H]1CCCN(CC2(O)CCSCC2)C1	ZINC000852012022	FF	On-Demand	Anodyne	SIRT1	19	40
COc1ccc(OC)c([C@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852012029	FE	On-Demand	Anodyne	OXTR	23	41
COc1ccc(OC)c([C@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852012030	FE	On-Demand	Anodyne	OXTR	23	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852012042	DF	On-Demand	Anodyne	SIRT3	15	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852012042	DF	On-Demand	Anodyne	SIRT2	21	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852012042	DF	On-Demand	Anodyne	SIRT1	19	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852012043	DF	On-Demand	Anodyne	SIRT3	15	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852012043	DF	On-Demand	Anodyne	SIRT2	21	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852012043	DF	On-Demand	Anodyne	SIRT1	19	41
COC(=O)N(C)CCNC(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000852012049	GC	On-Demand	Anodyne	DRD4	41	32
COC(=O)N(C)CCNC(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000852012049	GC	On-Demand	Anodyne	ACHE	19	49
COC(=O)N(C)CCNC(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000852012049	GC	On-Demand	Anodyne	HRH2	40	47
COC(=O)N(C)CCNC(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000852012049	GC	On-Demand	Anodyne	LTA4H	21	41
COC(=O)N(C)CCNC(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000852012049	GC	On-Demand	Anodyne	ROCK1	20	40
COC(=O)N(C)CCNC(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000852012049	GC	On-Demand	Anodyne	ROCK2	29	42
COC(=O)N(C)CCNC(=O)NCc1cccc(OCCN2CCOCC2)c1	ZINC000852012049	GC	On-Demand	Anodyne	EPHX2	29	47
COc1ccc(OC)c([C@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852012053	FG	On-Demand	Anodyne	MTNR1A	46	39
Cn1cnc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1	ZINC000852012079	DF	On-Demand	Anodyne	SIRT3	26	42
Cn1cnc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1	ZINC000852012079	DF	On-Demand	Anodyne	SIRT2	25	42
Cn1cnc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1	ZINC000852012079	DF	On-Demand	Anodyne	SIRT1	25	42
Cn1cnc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1	ZINC000852012081	DF	On-Demand	Anodyne	SIRT3	26	42
Cn1cnc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1	ZINC000852012081	DF	On-Demand	Anodyne	SIRT2	25	42
Cn1cnc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1	ZINC000852012081	DF	On-Demand	Anodyne	SIRT1	25	42
CCN(CC)C(=O)CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852012084	FF	On-Demand	Anodyne	P2RY14	50	38
CCN(CC)C(=O)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852012095	FF	On-Demand	Anodyne	OPRD1	22	40
CCN(CC)C(=O)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852012095	FF	On-Demand	Anodyne	KCNH2	43	41
CCN(CC)C(=O)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852012095	FF	On-Demand	Anodyne	GLRA1	42	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012101	GH	On-Demand	Clean	STAT6	45	36
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012102	GH	On-Demand	Clean	STAT6	45	36
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012103	GH	On-Demand	Clean	STAT6	45	36
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012117	GH	On-Demand	Clean	STAT6	45	36
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852012133	FH	On-Demand	Anodyne	ACACB	15	40
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852012133	FH	On-Demand	Anodyne	SIRT3	18	40
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852012133	FH	On-Demand	Anodyne	SIRT2	21	40
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852012133	FH	On-Demand	Anodyne	SIRT1	20	40
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852012134	FH	On-Demand	Anodyne	ACACB	15	40
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852012134	FH	On-Demand	Anodyne	SIRT3	18	40
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852012134	FH	On-Demand	Anodyne	SIRT2	21	40
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852012134	FH	On-Demand	Anodyne	SIRT1	20	40
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@H]1COC2(CCC2)C1	ZINC000852012136	GD	On-Demand	Anodyne	HRH2	42	45
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@H]1COC2(CCC2)C1	ZINC000852012136	GD	On-Demand	Anodyne	EPHX2	33	50
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852012137	GD	On-Demand	Anodyne	HRH2	42	45
O=C(NCc1cccc(OCCN2CCOCC2)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852012137	GD	On-Demand	Anodyne	EPHX2	33	50
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCC1SCCS1	ZINC000852012148	GE	On-Demand	Anodyne	ESR1	46	39
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCC1SCCS1	ZINC000852012148	GE	On-Demand	Anodyne	HRH2	31	45
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCC1SCCS1	ZINC000852012148	GE	On-Demand	Anodyne	LTA4H	26	43
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCC1SCCS1	ZINC000852012148	GE	On-Demand	Anodyne	ROCK2	19	40
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCC1SCCS1	ZINC000852012148	GE	On-Demand	Anodyne	EPHX2	38	49
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012191	FD	On-Demand	Clean	EPHB4	45	32
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012192	FD	On-Demand	Clean	EPHB4	45	32
Cc1ccncc1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012197	FF	On-Demand	Clean	EPHB4	42	35
Cc1ccncc1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012197	FF	On-Demand	Clean	STAT6	46	32
Cc1ccncc1CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012198	FF	On-Demand	Clean	EPHB4	42	35
Cc1ccncc1CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012198	FF	On-Demand	Clean	STAT6	46	32
C[C@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc(N2CCOCC2)cc1	ZINC000852012247	FG	On-Demand	Mild	CTSK	16	48
C[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc(N2CCOCC2)cc1	ZINC000852012248	FG	On-Demand	Mild	CTSK	16	48
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012250	EF	On-Demand	Anodyne	PGA	16	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012250	EF	On-Demand	Anodyne	REN	58	38
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012250	EF	On-Demand	Anodyne	CTSE	15	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012250	EF	On-Demand	Anodyne	SIRT3	40	34
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012250	EF	On-Demand	Anodyne	SIRT2	47	42
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012250	EF	On-Demand	Anodyne	SIRT1	42	42
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012251	EF	On-Demand	Anodyne	PGA	16	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012251	EF	On-Demand	Anodyne	REN	58	38
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012251	EF	On-Demand	Anodyne	CTSE	15	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012251	EF	On-Demand	Anodyne	SIRT3	40	34
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012251	EF	On-Demand	Anodyne	SIRT2	47	42
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852012251	EF	On-Demand	Anodyne	SIRT1	42	42
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012252	EF	On-Demand	Anodyne	PGA	16	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012252	EF	On-Demand	Anodyne	REN	58	38
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012252	EF	On-Demand	Anodyne	CTSE	15	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012252	EF	On-Demand	Anodyne	SIRT3	40	34
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012252	EF	On-Demand	Anodyne	SIRT2	47	42
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012252	EF	On-Demand	Anodyne	SIRT1	42	42
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012253	EF	On-Demand	Anodyne	PGA	16	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012253	EF	On-Demand	Anodyne	REN	58	38
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012253	EF	On-Demand	Anodyne	CTSE	15	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012253	EF	On-Demand	Anodyne	SIRT3	40	34
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012253	EF	On-Demand	Anodyne	SIRT2	47	42
CC(C)(C)OC(=O)NCC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852012253	EF	On-Demand	Anodyne	SIRT1	42	42
Cc1nnc(CN(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1	ZINC000852012267	FE	On-Demand	Clean	STAT6	46	30
Cc1nnc(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1	ZINC000852012268	FE	On-Demand	Clean	STAT6	46	30
C[C@@H](NC(=O)N1CC[C@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	ZINC000852012280	GH	On-Demand	Clean	PRCP	20	41
C[C@@H](NC(=O)N1CC[C@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	ZINC000852012280	GH	On-Demand	Clean	STAT6	43	34
C[C@@H](NC(=O)N1CC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	ZINC000852012281	GH	On-Demand	Clean	PRCP	20	41
C[C@@H](NC(=O)N1CC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1	ZINC000852012281	GH	On-Demand	Clean	STAT6	43	34
COc1cccc(OC)c1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012301	GG	On-Demand	Clean	STAT6	43	38
COc1cccc(OC)c1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012302	GG	On-Demand	Clean	STAT6	43	38
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012347	EG	On-Demand	Anodyne	DRD2	19	42
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012347	EG	On-Demand	Anodyne	DRD4	22	41
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012347	EG	On-Demand	Anodyne	ACHE	35	45
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012347	EG	On-Demand	Anodyne	HRH2	29	48
CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012347	EG	On-Demand	Anodyne	DRD3	15	43
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012349	EG	On-Demand	Anodyne	DRD2	19	42
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012349	EG	On-Demand	Anodyne	DRD4	22	41
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012349	EG	On-Demand	Anodyne	ACHE	35	45
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012349	EG	On-Demand	Anodyne	HRH2	29	48
CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852012349	EG	On-Demand	Anodyne	DRD3	15	43
C#CCOCCN1CCOC[C@@H]1c1nc(-c2cccs2)no1	ZINC000852012362	DD	On-Demand	Mild	ETHR	26	41
C#CCOCCN1CCOC[C@H]1c1nc(-c2cccs2)no1	ZINC000852012363	DD	On-Demand	Mild	ETHR	26	41
FC(F)OCCN1CCOC[C@@H]1c1nc(-c2cccs2)no1	ZINC000852012382	EE	On-Demand	Anodyne	ETHR	42	42
FC(F)OCCN1CCOC[C@H]1c1nc(-c2cccs2)no1	ZINC000852012384	EE	On-Demand	Anodyne	ETHR	42	42
NC(=O)[C@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012452	EC	On-Demand	Anodyne	CHRM2	16	43
NC(=O)[C@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012452	EC	On-Demand	Anodyne	CHRM4	21	43
NC(=O)[C@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012452	EC	On-Demand	Anodyne	CHRM5	17	43
NC(=O)[C@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012452	EC	On-Demand	Anodyne	CHRM3	29	43
NC(=O)[C@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012452	EC	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012454	EC	On-Demand	Anodyne	CHRM2	16	43
NC(=O)[C@@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012454	EC	On-Demand	Anodyne	CHRM4	21	43
NC(=O)[C@@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012454	EC	On-Demand	Anodyne	CHRM5	17	43
NC(=O)[C@@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012454	EC	On-Demand	Anodyne	CHRM3	29	43
NC(=O)[C@@](O)(CN1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852012454	EC	On-Demand	Anodyne	CYP2J2	43	30
COC(=O)N(C)CCNC(=O)NCCCc1ccc(OC)c(OC)c1	ZINC000852012481	FD	On-Demand	Anodyne	MTNR1A	21	51
COC(=O)N(C)CCNC(=O)NCCCc1ccc(OC)c(OC)c1	ZINC000852012481	FD	On-Demand	Anodyne	MTNR1B	22	51
COCCN(CCF)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1	ZINC000852012483	GG	On-Demand	Anodyne	CARM1	41	35
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012511	FH	On-Demand	Clean	PRCP	19	47
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012512	FH	On-Demand	Clean	PRCP	19	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cc(OC)ccc3OC)C2)cc1	ZINC000852012513	GG	On-Demand	Clean	MTNR1A	17	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cc(OC)ccc3OC)C2)cc1	ZINC000852012513	GG	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cc(OC)ccc3OC)C2)cc1	ZINC000852012514	GG	On-Demand	Clean	MTNR1A	17	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cc(OC)ccc3OC)C2)cc1	ZINC000852012514	GG	On-Demand	Clean	MTNR1B	18	47
C[C@H](NC(=O)NCCC(C)(C)F)c1ccc(N2CCOCC2)cc1	ZINC000852012526	EG	On-Demand	Clean	STAT6	45	29
C[C@@H](NC(=O)NCCC(C)(C)F)c1ccc(N2CCOCC2)cc1	ZINC000852012527	EG	On-Demand	Clean	STAT6	45	29
Cc1nc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(C)o1	ZINC000852012532	EG	On-Demand	Anodyne	PDE8B	50	35
Cc1nc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c(C)o1	ZINC000852012533	EG	On-Demand	Anodyne	PDE8B	50	35
C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	ZINC000852012542	FH	On-Demand	Mild	PGA5	42	33
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1	ZINC000852012543	FH	On-Demand	Mild	PGA5	42	33
C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	ZINC000852012544	FH	On-Demand	Mild	PGA5	42	33
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1	ZINC000852012545	FH	On-Demand	Mild	PGA5	42	33
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)c1ccc(N2CCOCC2)cc1	ZINC000852012546	GG	On-Demand	Clean	KCNQ2	19	47
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)c1ccc(N2CCOCC2)cc1	ZINC000852012549	GG	On-Demand	Clean	KCNQ2	19	47
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCOC2=O)cc1	ZINC000852012654	FE	On-Demand	Anodyne	MAPK1	51	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012720	FG	On-Demand	Mild	PRCP	15	42
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012721	FG	On-Demand	Mild	PRCP	15	42
COc1ccc(OC)c([C@H](C)NC(=O)NCc2ncccn2)c1	ZINC000852012743	DE	On-Demand	Anodyne	MTNR1A	41	39
COc1ccc(OC)c([C@H](C)NC(=O)NCc2ncccn2)c1	ZINC000852012743	DE	On-Demand	Anodyne	MTNR1B	40	39
CC(C)(C)OC(=O)N1CCO[C@H](CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)C1	ZINC000852012764	GF	On-Demand	Anodyne	CCR5	40	31
CC(C)(C)OC(=O)N1CCO[C@H](CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)C1	ZINC000852012765	GF	On-Demand	Anodyne	CCR5	40	31
CC(C)(C)OC(=O)N1CCO[C@H](CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)C1	ZINC000852012766	GF	On-Demand	Anodyne	CCR5	40	31
CC(C)(C)OC(=O)N1CCO[C@H](CN2C[C@H](O)C[C@H]2c2cccc(F)c2)C1	ZINC000852012767	GF	On-Demand	Anodyne	CCR5	40	31
O=C(CN1CCC[C@@H](CN2CCOCC2)C1)Nc1ccc(Cl)nc1	ZINC000852012787	FD	On-Demand	Anodyne	EPHX2	20	44
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012873	EH	On-Demand	Clean	STAT6	51	32
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000852012876	EH	On-Demand	Clean	STAT6	51	32
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCCC2=O)cc1	ZINC000852012892	FE	On-Demand	Anodyne	MAPK1	52	42
C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1ccc(N2CCOCC2)cc1	ZINC000852012952	FF	On-Demand	Mild	CTSS	29	42
C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1ccc(N2CCOCC2)cc1	ZINC000852012954	FF	On-Demand	Mild	CTSS	29	42
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCOCC2)cc1	ZINC000852013002	FE	On-Demand	Clean	MAPK1	55	45
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCOCC2)cc1	ZINC000852013002	FE	On-Demand	Clean	MAPKAPK5	41	34
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCOCC2)cc1	ZINC000852013002	FE	On-Demand	Clean	STAT6	46	30
FC(F)(Br)CN1CCOC[C@@H]1c1nc(-c2cccs2)no1	ZINC000852013009	GG	On-Demand	Anodyne	ETHR	63	48
FC(F)(Br)CN1CCOC[C@H]1c1nc(-c2cccs2)no1	ZINC000852013010	GG	On-Demand	Anodyne	ETHR	63	48
C=C(Br)CNC(=O)NCc1cn(CC)nn1	ZINC000852013150	CD	On-Demand	Mild	GBA	15	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)C2)cc1	ZINC000852013165	GE	On-Demand	Clean	SIGMAR1	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)C2)cc1	ZINC000852013167	GE	On-Demand	Clean	SIGMAR1	15	44
C=C(Br)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852013184	GG	On-Demand	Mild	NPFFR1	45	39
C=C(Br)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852013185	GG	On-Demand	Mild	NPFFR1	45	39
c1csc(-c2noc([C@@H]3COCCN3Cc3cnon3)n2)c1	ZINC000852013234	DD	On-Demand	Anodyne	ETHR	28	43
c1csc(-c2noc([C@H]3COCCN3Cc3cnon3)n2)c1	ZINC000852013235	DD	On-Demand	Anodyne	ETHR	28	43
O=C1CC[C@H](CN2CCOC[C@@H]2c2nc(-c3cccs3)no2)O1	ZINC000852013239	ED	On-Demand	Anodyne	ETHR	49	45
O=C1CC[C@H](CN2CCOC[C@H]2c2nc(-c3cccs3)no2)O1	ZINC000852013240	ED	On-Demand	Anodyne	ETHR	49	45
O=C1CC[C@@H](CN2CCOC[C@H]2c2nc(-c3cccs3)no2)O1	ZINC000852013241	ED	On-Demand	Anodyne	ETHR	49	45
O=C1CC[C@@H](CN2CCOC[C@@H]2c2nc(-c3cccs3)no2)O1	ZINC000852013242	ED	On-Demand	Anodyne	ETHR	49	45
Fc1cccc(CN2CCOC[C@@H]2c2nc(-c3cccs3)no2)n1	ZINC000852013243	EF	On-Demand	Anodyne	ETHR	48	43
Fc1cccc(CN2CCOC[C@H]2c2nc(-c3cccs3)no2)n1	ZINC000852013244	EF	On-Demand	Anodyne	ETHR	48	43
O[C@@H](CN1CCOC[C@H]1c1nc(-c2cccs2)no1)c1ccccn1	ZINC000852013253	FE	On-Demand	Anodyne	ETHR	37	42
O[C@@H](CN1CCOC[C@@H]1c1nc(-c2cccs2)no1)c1ccccn1	ZINC000852013254	FE	On-Demand	Anodyne	ETHR	37	42
O[C@H](CN1CCOC[C@H]1c1nc(-c2cccs2)no1)c1ccccn1	ZINC000852013255	FE	On-Demand	Anodyne	ETHR	37	42
O[C@H](CN1CCOC[C@@H]1c1nc(-c2cccs2)no1)c1ccccn1	ZINC000852013256	FE	On-Demand	Anodyne	ETHR	37	42
CO[C@H]1CCCC[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852013308	CC	On-Demand	Anodyne	AMY2	50	34
CO[C@H]1CCCC[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852013309	CC	On-Demand	Anodyne	AMY2	50	34
CC(C)(C)OC(=O)NC[C@@H]1CN([C@@H]2CCC[C@H]2O)C[C@H]1c1ccccc1	ZINC000852013317	FG	On-Demand	Anodyne	SLC18A3	27	41
C=C(Br)CNC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852013352	GE	On-Demand	Mild	SIGMAR1	20	47
C=C(Br)CNC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852013353	GE	On-Demand	Mild	SIGMAR1	20	47
Cc1nc(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c(C)o1	ZINC000852013354	GI	On-Demand	Anodyne	PDE8B	68	40
C=C(Br)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852013417	EE	On-Demand	Mild	SIGMAR1	32	44
C=C(Br)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852013419	EE	On-Demand	Mild	SIGMAR1	32	44
C=C(Br)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852013439	EF	On-Demand	Mild	DRD4	43	34
C=C(Br)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852013439	EF	On-Demand	Mild	DRD5	18	45
C=C(Br)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852013439	EF	On-Demand	Mild	MTNR1A	35	43
C=C(Br)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852013439	EF	On-Demand	Mild	MTNR1B	35	43
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)c1cccc(N2CCOC2=O)c1	ZINC000852013501	GG	On-Demand	Anodyne	KCNQ2	17	41
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)c1cccc(N2CCOC2=O)c1	ZINC000852013503	GG	On-Demand	Anodyne	KCNQ2	17	41
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	ACHE	16	44
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	HRH2	43	48
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	HTR2A	15	41
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	LTA4H	42	46
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	MAPK14	16	41
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	HRH3	17	42
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	SRC	18	49
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	BCHE	19	44
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	ROCK1	25	40
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	ROCK2	28	44
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	EPHX2	33	50
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	FLT3	22	46
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	AURKA	15	49
O=C(NCc1cccc(OCCN2CCOCC2)c1)NCc1ncccn1	ZINC000852013566	FD	On-Demand	Anodyne	NAMPT	22	40
COc1cc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)sn1	ZINC000852013590	FG	On-Demand	Anodyne	SIRT3	25	41
COc1cc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)sn1	ZINC000852013590	FG	On-Demand	Anodyne	SIRT2	25	41
COc1cc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)sn1	ZINC000852013590	FG	On-Demand	Anodyne	SIRT1	24	41
COc1cc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)sn1	ZINC000852013591	FG	On-Demand	Anodyne	SIRT3	25	41
COc1cc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)sn1	ZINC000852013591	FG	On-Demand	Anodyne	SIRT2	25	41
COc1cc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)sn1	ZINC000852013591	FG	On-Demand	Anodyne	SIRT1	24	41
COc1ccc(CN(CC2CC2)C[C@](O)(C(N)=O)c2ccccc2)c(OC)c1	ZINC000852013600	GE	On-Demand	Anodyne	AMY2	43	29
COc1ccc(CN(CC2CC2)C[C@@](O)(C(N)=O)c2ccccc2)c(OC)c1	ZINC000852013602	GE	On-Demand	Anodyne	AMY2	43	29
C=C(Br)CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852013748	GH	On-Demand	Mild	P2RY14	44	36
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1c1ccccc1	ZINC000852013789	GI	On-Demand	Anodyne	CCR5	26	43
C[C@@H](NC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc(N2CCOCC2)cc1	ZINC000852013921	GD	On-Demand	Clean	PRCP	17	43
C[C@@H](NC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc(N2CCOCC2)cc1	ZINC000852013922	GD	On-Demand	Clean	PRCP	17	43
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@H](O)c2cccc3ccccc23)c1	ZINC000852013929	GH	On-Demand	Anodyne	ADRB2	15	41
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@H](O)c2cccc3ccccc23)c1	ZINC000852013929	GH	On-Demand	Anodyne	NQO2	16	42
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@H](O)c2cccc3ccccc23)c1	ZINC000852013929	GH	On-Demand	Anodyne	MTNR1A	69	58
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@H](O)c2cccc3ccccc23)c1	ZINC000852013929	GH	On-Demand	Anodyne	MTNR1B	68	40
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@H](O)c2cccc3ccccc23)c1	ZINC000852013929	GH	On-Demand	Anodyne	SOAT1	28	43
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@H](O)c2cccc3ccccc23)c1	ZINC000852013929	GH	On-Demand	Anodyne	CAPN2	17	42
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@@H](O)c2cccc3ccccc23)c1	ZINC000852013932	GH	On-Demand	Anodyne	ADRB2	15	41
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@@H](O)c2cccc3ccccc23)c1	ZINC000852013932	GH	On-Demand	Anodyne	NQO2	16	42
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@@H](O)c2cccc3ccccc23)c1	ZINC000852013932	GH	On-Demand	Anodyne	MTNR1A	69	58
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@@H](O)c2cccc3ccccc23)c1	ZINC000852013932	GH	On-Demand	Anodyne	MTNR1B	68	40
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@@H](O)c2cccc3ccccc23)c1	ZINC000852013932	GH	On-Demand	Anodyne	SOAT1	28	43
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@@H](O)c2cccc3ccccc23)c1	ZINC000852013932	GH	On-Demand	Anodyne	CAPN2	17	42
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1OC	ZINC000852014015	ED	On-Demand	Anodyne	MTNR1A	43	40
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1OC	ZINC000852014015	ED	On-Demand	Anodyne	MTNR1B	35	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1OC	ZINC000852014016	ED	On-Demand	Anodyne	MTNR1A	43	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1OC	ZINC000852014016	ED	On-Demand	Anodyne	MTNR1B	35	40
FC(F)OCCN1CCOC[C@@H]1c1nc(-c2ccccc2)no1	ZINC000852014018	EE	On-Demand	Anodyne	CPT1A	33	41
FC(F)OCCN1CCOC[C@H]1c1nc(-c2ccccc2)no1	ZINC000852014019	EE	On-Demand	Anodyne	CPT1A	33	41
Cn1cnc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c1	ZINC000852014023	FG	On-Demand	Anodyne	GPR119	31	43
Cn1cnc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c1	ZINC000852014024	FG	On-Demand	Anodyne	GPR119	31	43
O[C@H](CN1CCC(c2ccc(Br)cc2)CC1)c1ccccn1	ZINC000852014026	FH	On-Demand	Anodyne	PRCP	16	40
O[C@H](CN1CCC(c2ccc(Br)cc2)CC1)c1ccccn1	ZINC000852014026	FH	On-Demand	Anodyne	SLC18A3	30	64
O[C@@H](CN1CCC(c2ccc(Br)cc2)CC1)c1ccccn1	ZINC000852014027	FH	On-Demand	Anodyne	PRCP	16	40
O[C@@H](CN1CCC(c2ccc(Br)cc2)CC1)c1ccccn1	ZINC000852014027	FH	On-Demand	Anodyne	SLC18A3	30	64
FC(F)(Br)CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1	ZINC000852014038	FG	On-Demand	Anodyne	CPT1A	33	41
FC(F)(Br)CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1	ZINC000852014038	FG	On-Demand	Anodyne	GRM5	15	40
FC(F)(Br)CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1	ZINC000852014038	FG	On-Demand	Anodyne	ETHR	28	44
FC(F)(Br)CN1CCOC[C@H]1c1nc(-c2ccccc2)no1	ZINC000852014039	FG	On-Demand	Anodyne	CPT1A	33	41
FC(F)(Br)CN1CCOC[C@H]1c1nc(-c2ccccc2)no1	ZINC000852014039	FG	On-Demand	Anodyne	GRM5	15	40
FC(F)(Br)CN1CCOC[C@H]1c1nc(-c2ccccc2)no1	ZINC000852014039	FG	On-Demand	Anodyne	ETHR	28	44
C[C@H](NC(=O)NCC(F)(F)C(C)(C)C)c1ccc(N2CCOCC2)cc1	ZINC000852014073	FH	On-Demand	Clean	STAT6	45	29
C[C@@H](NC(=O)NCC(F)(F)C(C)(C)C)c1ccc(N2CCOCC2)cc1	ZINC000852014075	FH	On-Demand	Clean	STAT6	45	29
C[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)c1ccc(N2CCOCC2)cc1	ZINC000852014089	GF	On-Demand	Clean	STAT6	42	30
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852014105	GG	On-Demand	Anodyne	MTNR1A	23	40
COc1ccc(OC)c([C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852014106	GG	On-Demand	Anodyne	MTNR1A	23	40
CC(C)(C)OC(=O)N1CCN(CC2CC=CC2)[C@@H](c2cccnc2)C1	ZINC000852014123	EH	On-Demand	Anodyne	GPR119	35	40
CC(C)(C)OC(=O)N1CCN(CC2CC=CC2)[C@H](c2cccnc2)C1	ZINC000852014125	EH	On-Demand	Anodyne	GPR119	35	40
c1ccc2c(c1)CCN2C1CCN(Cc2cnon2)CC1	ZINC000852014163	CE	On-Demand	Anodyne	SCD1	15	40
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)c(C)o1	ZINC000852014167	FG	On-Demand	Anodyne	GPR119	23	41
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)c(C)o1	ZINC000852014169	FG	On-Demand	Anodyne	GPR119	23	41
C=C(Br)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852014282	FF	On-Demand	Mild	ACHE	30	47
C=C(Br)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852014282	FF	On-Demand	Mild	HTR4	30	40
C=C(Br)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852014282	FF	On-Demand	Mild	GRIN2B	15	40
C=C(Br)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852014282	FF	On-Demand	Mild	SIGMAR1	28	44
C=C(Br)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852014282	FF	On-Demand	Mild	CCR3	20	41
C=C(Br)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852014282	FF	On-Demand	Mild	CACNA1I	64	43
C=C(Br)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852014287	EE	On-Demand	Mild	SCN2A	19	47
C=C(Br)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852014287	EE	On-Demand	Mild	SCN10A	20	47
O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)NCc1ncccn1	ZINC000852014325	FF	On-Demand	Anodyne	NMT1	32	42
O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)NCc1ncccn1	ZINC000852014325	FF	On-Demand	Anodyne	TYK2	54	38
O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)NCc1ncccn1	ZINC000852014325	FF	On-Demand	Anodyne	PRMT3	46	36
Cn1cnc(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c1	ZINC000852014330	FG	On-Demand	Anodyne	PDE8B	43	31
C=C(Br)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852014408	FG	On-Demand	Mild	SCD1	17	43
C=C(Br)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852014408	FG	On-Demand	Mild	SCD	29	43
C=C(Br)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852014408	FG	On-Demand	Mild	TRPM8	29	54
CN(CCOCCO)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852014432	CB	On-Demand	Anodyne	AMY2	58	37
CN(CCOCCO)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852014433	CB	On-Demand	Anodyne	AMY2	58	37
CC(C)(C)OC(=O)N1CCN(CCc2ccc(C#N)cc2)[C@H](c2cccnc2)C1	ZINC000852014443	GH	On-Demand	Mild	GPR119	28	49
CC(C)(C)OC(=O)N1CCN(CCc2ccc(C#N)cc2)[C@@H](c2cccnc2)C1	ZINC000852014444	GH	On-Demand	Mild	GPR119	28	49
C=C(Br)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852014473	GF	On-Demand	Mild	SSTR3	34	48
NC(=O)[C@@](O)(CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000852014479	GD	On-Demand	Anodyne	CPT1A	39	47
NC(=O)[C@@](O)(CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000852014479	GD	On-Demand	Anodyne	ETHR	33	41
NC(=O)[C@@](O)(CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000852014483	GD	On-Demand	Anodyne	CPT1A	39	47
NC(=O)[C@@](O)(CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000852014483	GD	On-Demand	Anodyne	ETHR	33	41
NC(=O)[C@](O)(CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000852014485	GD	On-Demand	Anodyne	CPT1A	39	47
NC(=O)[C@](O)(CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000852014485	GD	On-Demand	Anodyne	ETHR	33	41
NC(=O)[C@](O)(CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000852014486	GD	On-Demand	Anodyne	CPT1A	39	47
NC(=O)[C@](O)(CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)c1ccccc1	ZINC000852014486	GD	On-Demand	Anodyne	ETHR	33	41
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000852014498	FE	On-Demand	Anodyne	CACNA1I	55	33
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1	ZINC000852014500	FE	On-Demand	Anodyne	CACNA1I	55	33
O=C(CN1CCC(N2CCc3ccccc32)CC1)Nc1ccc(Cl)nc1	ZINC000852014523	FG	On-Demand	Anodyne	DRD4	27	40
O=C(CN1CCC(N2CCc3ccccc32)CC1)Nc1ccc(Cl)nc1	ZINC000852014523	FG	On-Demand	Anodyne	NPY5R	16	51
O=C(CN1CCC(N2CCc3ccccc32)CC1)Nc1ccc(Cl)nc1	ZINC000852014523	FG	On-Demand	Anodyne	SCD1	19	42
COc1ccc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)c(OC)c1	ZINC000852014529	FF	On-Demand	Bother	CYP1B1	16	41
COc1ccc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)c(OC)c1	ZINC000852014529	FF	On-Demand	Bother	KCNMA1	21	45
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccnc2)co1	ZINC000852014545	FG	On-Demand	Anodyne	GPR119	24	41
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccnc2)co1	ZINC000852014548	FG	On-Demand	Anodyne	GPR119	24	41
FC(F)OCCN1CCC(N2CCc3ccccc32)CC1	ZINC000852014589	CF	On-Demand	Anodyne	SCD1	17	41
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1cccc(N2CCOC2=O)c1	ZINC000852014622	FE	On-Demand	Anodyne	MAPK1	48	40
C=C[C@H](CO)NC(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1	ZINC000852014649	DD	On-Demand	Mild	KCNQ2	17	41
C=C[C@H](CO)NC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1	ZINC000852014650	DD	On-Demand	Mild	KCNQ2	17	41
NC(=O)[C@@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014663	GC	On-Demand	Anodyne	CHRM2	26	40
NC(=O)[C@@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014663	GC	On-Demand	Anodyne	CHRM3	41	40
NC(=O)[C@@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014663	GC	On-Demand	Anodyne	NPY2R	15	40
NC(=O)[C@@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014663	GC	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014663	GC	On-Demand	Anodyne	CYP2J2	49	35
NC(=O)[C@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014664	GC	On-Demand	Anodyne	CHRM2	26	40
NC(=O)[C@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014664	GC	On-Demand	Anodyne	CHRM3	41	40
NC(=O)[C@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014664	GC	On-Demand	Anodyne	NPY2R	15	40
NC(=O)[C@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014664	GC	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@](O)(CN1CCC(S(=O)(=O)N2CCCC2)CC1)c1ccccc1	ZINC000852014664	GC	On-Demand	Anodyne	CYP2J2	49	35
C=C(Br)CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852014701	EE	On-Demand	Mild	CACNA1I	53	35
CC(C)(C)OC(=O)N1CCN(C[C@H]2CNC(=O)C2)[C@H](c2cccc(F)c2)C1	ZINC000852014806	GF	On-Demand	Anodyne	GPR119	23	41
CC(C)(C)OC(=O)N1CCN(C[C@H]2CNC(=O)C2)[C@@H](c2cccc(F)c2)C1	ZINC000852014807	GF	On-Demand	Anodyne	GPR119	23	41
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CNC(=O)C2)[C@@H](c2cccc(F)c2)C1	ZINC000852014808	GF	On-Demand	Anodyne	GPR119	23	41
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CNC(=O)C2)[C@H](c2cccc(F)c2)C1	ZINC000852014809	GF	On-Demand	Anodyne	GPR119	23	41
CNS(=O)(=O)c1ccc(CN2CCc3cc(F)cc(C)c3C2)cc1	ZINC000852014820	EF	On-Demand	Anodyne	NOD2	42	36
NC(=O)[C@@](O)(CN1CCC(N2CCc3ccccc32)CC1)c1ccccc1	ZINC000852014828	FD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@@](O)(CN1CCC(N2CCc3ccccc32)CC1)c1ccccc1	ZINC000852014828	FD	On-Demand	Anodyne	SCD1	15	40
NC(=O)[C@](O)(CN1CCC(N2CCc3ccccc32)CC1)c1ccccc1	ZINC000852014829	FD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CCC(N2CCc3ccccc32)CC1)c1ccccc1	ZINC000852014829	FD	On-Demand	Anodyne	SCD1	15	40
c1ccc(-c2noc([C@H]3COCCN3Cc3cnon3)n2)cc1	ZINC000852014871	DD	On-Demand	Anodyne	CPT1A	29	42
c1ccc(-c2noc([C@@H]3COCCN3Cc3cnon3)n2)cc1	ZINC000852014874	DD	On-Demand	Anodyne	CPT1A	29	42
COCCN(CCF)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1	ZINC000852014880	DG	On-Demand	Anodyne	AMY2	53	32
COCCN(CCF)C(=O)N[C@H](C)CC(C)(C)c1ccccc1	ZINC000852014882	DG	On-Demand	Anodyne	AMY2	53	32
O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)NNc1ccc(Cl)cn1	ZINC000852014914	GG	On-Demand	Reactive	F10	30	44
O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)NNc1ccc(Cl)cn1	ZINC000852014916	GG	On-Demand	Reactive	F10	30	44
CO[C@@H]1CC[C@@H](N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1	ZINC000852014919	DF	On-Demand	Anodyne	OPRK1	19	42
CO[C@@H]1CC[C@@H](N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1	ZINC000852014919	DF	On-Demand	Anodyne	CCR5	26	42
CO[C@@H]1CC[C@@H](N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1	ZINC000852014919	DF	On-Demand	Anodyne	AMY2	44	30
CO[C@@H]1CC[C@@H](N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1	ZINC000852014923	DF	On-Demand	Anodyne	OPRK1	19	42
CO[C@@H]1CC[C@@H](N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1	ZINC000852014923	DF	On-Demand	Anodyne	CCR5	26	42
CO[C@@H]1CC[C@@H](N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1	ZINC000852014923	DF	On-Demand	Anodyne	AMY2	44	30
C=C(Br)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852014941	ED	On-Demand	Mild	CCKAR	32	40
C=C(Br)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852014941	ED	On-Demand	Mild	PYGL	38	53
C=C(Br)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852014941	ED	On-Demand	Mild	PYGM	34	53
C=C(Br)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852014941	ED	On-Demand	Mild	CCKBR	32	40
C=C(Br)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852014942	ED	On-Demand	Mild	CCKAR	32	40
C=C(Br)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852014942	ED	On-Demand	Mild	PYGL	38	53
C=C(Br)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852014942	ED	On-Demand	Mild	PYGM	34	53
C=C(Br)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852014942	ED	On-Demand	Mild	CCKBR	32	40
C=C(Br)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852014944	FE	On-Demand	Mild	MTNR1A	17	48
C=C(Br)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852014944	FE	On-Demand	Mild	MTNR1B	15	48
C=C(Br)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852014945	FE	On-Demand	Mild	MTNR1A	17	48
C=C(Br)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852014945	FE	On-Demand	Mild	MTNR1B	15	48
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccccc1	ZINC000852014996	GH	On-Demand	Anodyne	PDE8B	57	36
C=C(Br)CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852015096	FH	On-Demand	Mild	MDM2	45	32
C=C(Br)CNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852015105	FG	On-Demand	Mild	DRD4	43	34
C=C(Br)CNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852015106	FG	On-Demand	Mild	DRD4	43	34
C=C(Br)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852015140	FH	On-Demand	Mild	KCNH2	43	42
CC(C)(C)OC(=O)N1CCc2c(CN3CC[C@H](S(C)(=O)=O)C3)cccc2C1	ZINC000852015163	GF	On-Demand	Anodyne	GPR119	43	40
CC(C)(C)OC(=O)N1CCc2c(CN3CC[C@@H](S(C)(=O)=O)C3)cccc2C1	ZINC000852015164	GF	On-Demand	Anodyne	GPR119	43	40
CCOP(=O)(OCC)[C@H](O)CN1CCC(N2CCc3ccccc32)CC1	ZINC000852015392	GG	On-Demand	Anodyne	ADAM9	45	32
CCOP(=O)(OCC)[C@H](O)CN1CCC(N2CCc3ccccc32)CC1	ZINC000852015392	GG	On-Demand	Anodyne	SCD1	16	40
CCOP(=O)(OCC)[C@@H](O)CN1CCC(N2CCc3ccccc32)CC1	ZINC000852015394	GG	On-Demand	Anodyne	ADAM9	45	32
CCOP(=O)(OCC)[C@@H](O)CN1CCC(N2CCc3ccccc32)CC1	ZINC000852015394	GG	On-Demand	Anodyne	SCD1	16	40
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)c(C)o1	ZINC000852015423	GI	On-Demand	Anodyne	GPR119	22	42
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)c(C)o1	ZINC000852015428	GI	On-Demand	Anodyne	GPR119	22	42
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(N)c2)C[C@H]1c1ccccc1	ZINC000852015516	GI	On-Demand	Anodyne	DRD4	18	40
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(N)c2)C[C@H]1c1ccccc1	ZINC000852015516	GI	On-Demand	Anodyne	CCR5	18	43
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(N)c2)C[C@H]1c1ccccc1	ZINC000852015516	GI	On-Demand	Anodyne	PDS	40	30
O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)N[C@H]1C=CCC1	ZINC000852015521	EH	On-Demand	Anodyne	NAMPT	20	40
O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852015522	EH	On-Demand	Anodyne	NAMPT	20	40
C[C@@H](NC(=O)N1CC2CC1(c1ccccc1)C2)c1cccc(N2CCOC2=O)c1	ZINC000852015573	GI	On-Demand	Anodyne	KCNQ2	17	41
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cnon2)C[C@H]1c1ccccc1	ZINC000852015623	FF	On-Demand	Anodyne	PDE8B	43	31
CCCN(CC1=NS(=O)(=O)c2ccccc21)[C@@H](C)CC(=O)Nc1ccccc1	ZINC000852015716	GG	On-Demand	Anodyne	KCNA3	15	42
CCCN(CC1=NS(=O)(=O)c2ccccc21)[C@H](C)CC(=O)Nc1ccccc1	ZINC000852015717	GG	On-Demand	Anodyne	KCNA3	15	42
Fc1cccc(CN2CCOC[C@H]2c2nc(-c3ccccc3)no2)n1	ZINC000852015734	EF	On-Demand	Anodyne	CPT1A	29	40
Fc1cccc(CN2CCOC[C@@H]2c2nc(-c3ccccc3)no2)n1	ZINC000852015735	EF	On-Demand	Anodyne	CPT1A	29	40
C#CCOCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1	ZINC000852015756	EE	On-Demand	Mild	GPR119	24	41
C#CCOCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1	ZINC000852015757	EE	On-Demand	Mild	GPR119	24	41
C[C@@H](NC(=O)N1CC[C@@H]1c1ccc(F)cc1)c1cccc(N2CCOC2=O)c1	ZINC000852015770	GH	On-Demand	Anodyne	CACNA1H	20	40
C[C@@H](NC(=O)N1CC[C@H]1c1ccc(F)cc1)c1cccc(N2CCOC2=O)c1	ZINC000852015772	GH	On-Demand	Anodyne	CACNA1H	20	40
CC(C)(C)OC(=O)NC[C@@H]1CN([C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1	ZINC000852015809	FH	On-Demand	Anodyne	SLC18A3	37	44
Cc1nc(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)co1	ZINC000852015843	FH	On-Demand	Anodyne	PDE8B	58	35
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N2CCCC2=O)cc1	ZINC000852015873	GG	On-Demand	Anodyne	CACNA1I	55	35
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N2CCCC2=O)cc1	ZINC000852015874	GG	On-Demand	Anodyne	CACNA1I	55	35
CC(C)(C)OC(=O)N1CCN(Cc2cnon2)[C@H](c2cccc(F)c2)C1	ZINC000852015877	FG	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CCN(Cc2cnon2)[C@@H](c2cccc(F)c2)C1	ZINC000852015878	FG	On-Demand	Anodyne	GPR119	28	43
COC[C@@H](CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1)OC	ZINC000852015913	GG	On-Demand	Anodyne	GPR119	23	43
COC[C@@H](CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1)OC	ZINC000852015914	GG	On-Demand	Anodyne	GPR119	23	43
O=C1CC[C@@H](CN2CCOC[C@H]2c2nc(-c3ccccc3)no2)O1	ZINC000852015928	ED	On-Demand	Anodyne	CPT1A	35	41
O=C1CC[C@@H](CN2CCOC[C@H]2c2nc(-c3ccccc3)no2)O1	ZINC000852015928	ED	On-Demand	Anodyne	GRM5	15	41
O=C1CC[C@H](CN2CCOC[C@H]2c2nc(-c3ccccc3)no2)O1	ZINC000852015929	ED	On-Demand	Anodyne	CPT1A	35	41
O=C1CC[C@H](CN2CCOC[C@H]2c2nc(-c3ccccc3)no2)O1	ZINC000852015929	ED	On-Demand	Anodyne	GRM5	15	41
O=C1CC[C@@H](CN2CCOC[C@@H]2c2nc(-c3ccccc3)no2)O1	ZINC000852015930	ED	On-Demand	Anodyne	CPT1A	35	41
O=C1CC[C@@H](CN2CCOC[C@@H]2c2nc(-c3ccccc3)no2)O1	ZINC000852015930	ED	On-Demand	Anodyne	GRM5	15	41
O=C1CC[C@H](CN2CCOC[C@@H]2c2nc(-c3ccccc3)no2)O1	ZINC000852015931	ED	On-Demand	Anodyne	CPT1A	35	41
O=C1CC[C@H](CN2CCOC[C@@H]2c2nc(-c3ccccc3)no2)O1	ZINC000852015931	ED	On-Demand	Anodyne	GRM5	15	41
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)[C@H](c2cccnc2)C1	ZINC000852015932	GE	On-Demand	Anodyne	GPR119	36	44
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)[C@@H](c2cccnc2)C1	ZINC000852015933	GE	On-Demand	Anodyne	GPR119	36	44
CC(C)(C)OC(=O)N1CCN(Cc2cnon2)[C@H](c2cccnc2)C1	ZINC000852016033	EE	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CCN(Cc2cnon2)[C@@H](c2cccnc2)C1	ZINC000852016034	EE	On-Demand	Anodyne	GPR119	21	40
C#CCOCCN1CCOC[C@H]1c1nc(-c2ccccc2)no1	ZINC000852016068	DD	On-Demand	Mild	CPT1A	35	41
C#CCOCCN1CCOC[C@@H]1c1nc(-c2ccccc2)no1	ZINC000852016069	DD	On-Demand	Mild	CPT1A	35	41
O=C(CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)nc1	ZINC000852016094	GF	On-Demand	Anodyne	CPT1A	41	44
O=C(CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)nc1	ZINC000852016094	GF	On-Demand	Anodyne	MTOR	77	39
O=C(CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)nc1	ZINC000852016094	GF	On-Demand	Anodyne	DGAT1	20	43
O=C(CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)nc1	ZINC000852016095	GF	On-Demand	Anodyne	CPT1A	41	44
O=C(CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)nc1	ZINC000852016095	GF	On-Demand	Anodyne	MTOR	77	39
O=C(CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)Nc1ccc(Cl)nc1	ZINC000852016095	GF	On-Demand	Anodyne	DGAT1	20	43
CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccn2)[C@@H](c2cccnc2)C1	ZINC000852016100	GF	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccn2)[C@H](c2cccnc2)C1	ZINC000852016101	GF	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccn2)[C@H](c2cccnc2)C1	ZINC000852016102	GF	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccn2)[C@@H](c2cccnc2)C1	ZINC000852016103	GF	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCN(C[C@H]2COC(C)(C)O2)[C@@H](c2cccnc2)C1	ZINC000852016125	GF	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCN(C[C@@H]2COC(C)(C)O2)[C@@H](c2cccnc2)C1	ZINC000852016126	GF	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCN(C[C@H]2COC(C)(C)O2)[C@H](c2cccnc2)C1	ZINC000852016127	GF	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCN(C[C@@H]2COC(C)(C)O2)[C@H](c2cccnc2)C1	ZINC000852016128	GF	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCN(CCc2cnn[nH]2)[C@H](c2cccc(F)c2)C1	ZINC000852016141	GF	On-Demand	Anodyne	GPR119	20	41
CC(C)(C)OC(=O)N1CCN(CCc2cnn[nH]2)[C@@H](c2cccc(F)c2)C1	ZINC000852016142	GF	On-Demand	Anodyne	GPR119	20	41
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC(=O)O2)[C@@H](c2cccc(F)c2)C1	ZINC000852016159	GG	On-Demand	Anodyne	CCR5	48	31
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC(=O)O2)[C@@H](c2cccc(F)c2)C1	ZINC000852016159	GG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)[C@@H](c2cccc(F)c2)C1	ZINC000852016160	GG	On-Demand	Anodyne	CCR5	48	31
CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)[C@@H](c2cccc(F)c2)C1	ZINC000852016160	GG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC(=O)O2)[C@H](c2cccc(F)c2)C1	ZINC000852016161	GG	On-Demand	Anodyne	CCR5	48	31
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC(=O)O2)[C@H](c2cccc(F)c2)C1	ZINC000852016161	GG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)[C@H](c2cccc(F)c2)C1	ZINC000852016162	GG	On-Demand	Anodyne	CCR5	48	31
CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)[C@H](c2cccc(F)c2)C1	ZINC000852016162	GG	On-Demand	Anodyne	GPR119	28	42
NC(=O)[C@](O)(CN1CCC(c2nnc(O)o2)CC1)c1ccccc1	ZINC000852016202	EC	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@@](O)(CN1CCC(c2nnc(O)o2)CC1)c1ccccc1	ZINC000852016203	EC	On-Demand	Anodyne	CYP2J2	47	33
O[C@H](CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)c1ccccn1	ZINC000852016216	FE	On-Demand	Anodyne	CPT1A	34	41
O[C@H](CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)c1ccccn1	ZINC000852016217	FE	On-Demand	Anodyne	CPT1A	34	41
O[C@@H](CN1CCOC[C@H]1c1nc(-c2ccccc2)no1)c1ccccn1	ZINC000852016218	FE	On-Demand	Anodyne	CPT1A	34	41
O[C@@H](CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1)c1ccccn1	ZINC000852016219	FE	On-Demand	Anodyne	CPT1A	34	41
CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)[C@H](c2cccnc2)C1	ZINC000852016233	FE	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC(=O)O2)[C@H](c2cccnc2)C1	ZINC000852016234	FE	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)[C@@H](c2cccnc2)C1	ZINC000852016235	FE	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC(=O)O2)[C@@H](c2cccnc2)C1	ZINC000852016236	FE	On-Demand	Anodyne	GPR119	29	41
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccc(F)c2)co1	ZINC000852016249	GH	On-Demand	Anodyne	GPR119	26	45
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccc(F)c2)co1	ZINC000852016250	GH	On-Demand	Anodyne	GPR119	26	45
CC(C)(C)OC(=O)N1CCN(CC[C@@H]2COC(C)(C)O2)[C@H](c2cccnc2)C1	ZINC000852016356	GG	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCN(CC[C@@H]2COC(C)(C)O2)[C@@H](c2cccnc2)C1	ZINC000852016357	GG	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCN(CC[C@H]2COC(C)(C)O2)[C@H](c2cccnc2)C1	ZINC000852016358	GG	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCN(CC[C@H]2COC(C)(C)O2)[C@@H](c2cccnc2)C1	ZINC000852016359	GG	On-Demand	Anodyne	GPR119	15	40
O=C(NCc1ccc(-n2ccnc2)cc1)NC1CCC2(CC1)CC2(F)F	ZINC000852016373	FH	On-Demand	Anodyne	NOS2	93	35
O=C(NCc1ccc(-n2ccnc2)cc1)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852016380	FF	On-Demand	Anodyne	NOS2	90	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852016381	FF	On-Demand	Anodyne	NOS2	90	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852016382	FF	On-Demand	Anodyne	NOS2	90	37
CN(C[C@@H]1CC1(C)C)C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016383	DG	On-Demand	Anodyne	NOS2	91	35
NC(=O)[C@@](O)(CN1CCO[C@@H](C(F)F)C1)c1ccccc1	ZINC000852016397	DC	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@](O)(CN1CCO[C@H](C(F)F)C1)c1ccccc1	ZINC000852016398	DC	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@](O)(CN1CCO[C@@H](C(F)F)C1)c1ccccc1	ZINC000852016399	DC	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CCO[C@H](C(F)F)C1)c1ccccc1	ZINC000852016400	DC	On-Demand	Anodyne	CYP2J2	43	30
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852016423	FG	On-Demand	Anodyne	NOS2	94	38
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC([C@H]2CCCCO2)CC1	ZINC000852016424	FG	On-Demand	Anodyne	NOS2	94	38
CC(C)(C)C(F)(F)CNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016434	EG	On-Demand	Anodyne	NOS2	41	33
COC(=O)N(C)CCNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016435	ED	On-Demand	Anodyne	NOS2	65	35
O=C(NCc1ccc(-n2ccnc2)cc1)NCC1SCCS1	ZINC000852016436	EE	On-Demand	Anodyne	NOS2	82	35
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852016439	FD	On-Demand	Anodyne	NOS2	97	39
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852016439	FD	On-Demand	Anodyne	NAMPT	28	47
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852016440	FD	On-Demand	Anodyne	NOS2	97	39
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852016440	FD	On-Demand	Anodyne	NAMPT	28	47
COC(=O)CCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852016441	FD	On-Demand	Clean	EPHX2	25	44
O=C1CC[C@@H](CN2CCC(N3CCc4cc(F)ccc43)CC2)O1	ZINC000852016444	DE	On-Demand	Anodyne	SCD	22	41
O=C1CC[C@H](CN2CCC(N3CCc4cc(F)ccc43)CC2)O1	ZINC000852016445	DE	On-Demand	Anodyne	SCD	22	41
NC(=O)[C@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016456	EC	On-Demand	Anodyne	CHRM2	16	43
NC(=O)[C@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016456	EC	On-Demand	Anodyne	CHRM4	21	43
NC(=O)[C@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016456	EC	On-Demand	Anodyne	CHRM5	17	43
NC(=O)[C@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016456	EC	On-Demand	Anodyne	CHRM3	29	43
NC(=O)[C@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016456	EC	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016457	EC	On-Demand	Anodyne	CHRM2	16	43
NC(=O)[C@@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016457	EC	On-Demand	Anodyne	CHRM4	21	43
NC(=O)[C@@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016457	EC	On-Demand	Anodyne	CHRM5	17	43
NC(=O)[C@@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016457	EC	On-Demand	Anodyne	CHRM3	29	43
NC(=O)[C@@](O)(CN1CCC[C@H](CN2CCOCC2)C1)c1ccccc1	ZINC000852016457	EC	On-Demand	Anodyne	CYP2J2	43	30
Fc1ccc2c(c1)CCN2C1CCN(CCOC(F)F)CC1	ZINC000852016462	DF	On-Demand	Anodyne	SLC6A3	34	41
Fc1ccc2c(c1)CCN2C1CCN(CCOC(F)F)CC1	ZINC000852016462	DF	On-Demand	Anodyne	SCD1	25	46
Fc1ccc2c(c1)CCN2C1CCN(CCOC(F)F)CC1	ZINC000852016462	DF	On-Demand	Anodyne	SCD	26	46
N#Cc1ccc(CCN2CCO[C@@H](C(F)F)C2)cc1	ZINC000852016463	CE	On-Demand	Mild	KCNJ1	39	56
N#Cc1ccc(CCN2CCO[C@H](C(F)F)C2)cc1	ZINC000852016464	CE	On-Demand	Mild	KCNJ1	39	56
COC(=O)CCCCNC(=O)NCC1SCCS1	ZINC000852016468	CD	On-Demand	Anodyne	EPHX2	35	57
Cn1ncc(C2CCC2)c1CNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016473	FF	On-Demand	Anodyne	NOS2	61	37
CN(CC1=CCSC1)C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016482	EF	On-Demand	Anodyne	NOS2	82	33
CC(=NO[C@@H](C)C(=O)NCCc1ccccc1C)c1cc2ccccc2o1	ZINC000852016485	FI	On-Demand	Mild	MTNR1A	67	39
CC(=NO[C@@H](C)C(=O)NCCc1ccccc1C)c1cc2ccccc2o1	ZINC000852016485	FI	On-Demand	Mild	MTNR1B	51	39
CC(=NO[C@H](C)C(=O)NCCc1ccccc1C)c1cc2ccccc2o1	ZINC000852016486	FI	On-Demand	Mild	MTNR1A	67	39
CC(=NO[C@H](C)C(=O)NCCc1ccccc1C)c1cc2ccccc2o1	ZINC000852016486	FI	On-Demand	Mild	MTNR1B	51	39
COC(=O)CCCCNC(=O)NCCC1SCCS1	ZINC000852016487	DD	On-Demand	Anodyne	EPHX2	30	53
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016488	FF	On-Demand	Anodyne	NOS2	87	34
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016490	FF	On-Demand	Anodyne	NOS2	87	34
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852016496	CE	On-Demand	Anodyne	NOS2	104	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852016496	CE	On-Demand	Anodyne	NAMPT	41	43
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852016497	CE	On-Demand	Anodyne	NOS2	104	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852016497	CE	On-Demand	Anodyne	NAMPT	41	43
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852016498	CE	On-Demand	Anodyne	NOS2	104	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852016498	CE	On-Demand	Anodyne	NAMPT	41	43
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852016499	CE	On-Demand	Anodyne	NOS2	104	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852016499	CE	On-Demand	Anodyne	NAMPT	41	43
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016502	EF	On-Demand	Anodyne	NOS2	96	39
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016503	EF	On-Demand	Anodyne	NOS2	96	39
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016508	ED	On-Demand	Anodyne	NOS2	97	41
O=C(NCCC1SCCS1)NCc1ccc(-n2ccnc2)cc1	ZINC000852016509	EF	On-Demand	Anodyne	NOS2	72	34
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016510	GE	On-Demand	Anodyne	NOS2	72	34
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016511	GG	On-Demand	Anodyne	NOS2	108	45
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016512	GG	On-Demand	Anodyne	NOS2	108	45
O[C@@H]1CCCC[C@H]1N1CCO[C@H](C(F)F)C1	ZINC000852016530	BD	On-Demand	Anodyne	SLC18A3	34	44
O[C@@H]1CCCC[C@H]1N1CCO[C@@H](C(F)F)C1	ZINC000852016531	BD	On-Demand	Anodyne	SLC18A3	34	44
O=C(CN1CCC[C@H](CN2CCOCC2)C1)Nc1ccc(Cl)nc1	ZINC000852016535	FD	On-Demand	Anodyne	EPHX2	20	44
COC[C@@H](NC(=O)NCc1ccc(-n2ccnc2)cc1)C1CCOCC1	ZINC000852016551	FE	On-Demand	Anodyne	NOS2	85	39
COC[C@H](NC(=O)NCc1ccc(-n2ccnc2)cc1)C1CCOCC1	ZINC000852016552	FE	On-Demand	Anodyne	NOS2	85	39
O=C(NCc1ccc(-n2ccnc2)cc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852016554	GF	On-Demand	Anodyne	NOS2	93	36
O=C(NCc1ccc(-n2ccnc2)cc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852016554	GF	On-Demand	Anodyne	NAMPT	38	43
COC(=O)CCCCNC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852016560	DD	On-Demand	Anodyne	EPHX2	15	49
NC(=O)CC1(CNC(=O)NCc2ccc(-n3ccnc3)cc2)CCCCC1	ZINC000852016562	FE	On-Demand	Anodyne	NOS2	44	34
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852016563	FG	On-Demand	Anodyne	NOS2	98	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852016563	FG	On-Demand	Anodyne	NAMPT	22	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852016564	FG	On-Demand	Anodyne	NOS2	98	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852016564	FG	On-Demand	Anodyne	NAMPT	22	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852016565	FG	On-Demand	Anodyne	NOS2	98	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852016565	FG	On-Demand	Anodyne	NAMPT	22	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852016566	FG	On-Demand	Anodyne	NOS2	98	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852016566	FG	On-Demand	Anodyne	NAMPT	22	40
O=C1CCC2=C(CCN(C(=O)NCc3ccc(-n4ccnc4)cc3)C2)N1	ZINC000852016574	FD	On-Demand	Anodyne	NOS2	44	34
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852016575	FD	On-Demand	Anodyne	NOS2	103	40
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852016577	EE	On-Demand	Anodyne	NOS2	94	36
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852016578	EE	On-Demand	Anodyne	NOS2	94	36
O=C(NCCOCCF)NCc1ccc(-n2ccnc2)cc1	ZINC000852016584	DD	On-Demand	Anodyne	NOS2	58	33
COC(=O)CCCCNC(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2	ZINC000852016601	FE	On-Demand	Anodyne	EPHX2	28	48
CCN1CC[C@H](N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)C1=O	ZINC000852016604	FE	On-Demand	Anodyne	FKBP1A	31	40
CCN1CC[C@H](N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)C1=O	ZINC000852016604	FE	On-Demand	Anodyne	SLC12A5	63	36
CCN1CC[C@H](N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)C1=O	ZINC000852016605	FE	On-Demand	Anodyne	FKBP1A	31	40
CCN1CC[C@H](N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)C1=O	ZINC000852016605	FE	On-Demand	Anodyne	SLC12A5	63	36
CCN1CC[C@H](N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)C1=O	ZINC000852016606	FE	On-Demand	Anodyne	FKBP1A	31	40
CCN1CC[C@H](N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)C1=O	ZINC000852016606	FE	On-Demand	Anodyne	SLC12A5	63	36
CCN1CC[C@H](N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)C1=O	ZINC000852016607	FE	On-Demand	Anodyne	FKBP1A	31	40
CCN1CC[C@H](N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)C1=O	ZINC000852016607	FE	On-Demand	Anodyne	SLC12A5	63	36
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852016613	FF	On-Demand	Anodyne	NOS2	101	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852016614	FF	On-Demand	Anodyne	NOS2	101	40
C[C@@]12COC[C@H]1CN(C(=O)NCc1ccc(-n3ccnc3)cc1)C2	ZINC000852016615	EE	On-Demand	Anodyne	NOS2	98	39
C[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc(-n3ccnc3)cc1)C2	ZINC000852016616	EE	On-Demand	Anodyne	NOS2	98	39
Cc1nnc(CN(C)C(=O)NCc2ccc(-n3ccnc3)cc2)o1	ZINC000852016619	ED	On-Demand	Anodyne	NOS2	66	33
COC(=O)CCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852016628	CD	On-Demand	Anodyne	EPHX2	28	60
COC(=O)CCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852016629	CD	On-Demand	Anodyne	EPHX2	28	60
O=C(NCc1ccc(-n2ccnc2)cc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852016631	FD	On-Demand	Anodyne	NOS2	83	37
O=C(NCc1ccc(-n2ccnc2)cc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852016632	FD	On-Demand	Anodyne	NOS2	83	37
CN1CCN(c2ncccc2CNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852016639	GD	On-Demand	Reactive	DRD1	46	38
CN1CCN(c2ncccc2CNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852016639	GD	On-Demand	Reactive	SCN2A	19	46
CN1CCN(c2ncccc2CNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852016639	GD	On-Demand	Reactive	SCN10A	38	46
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852016640	FG	On-Demand	Anodyne	NOS2	93	38
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852016641	FG	On-Demand	Anodyne	NOS2	93	38
COC(=O)CCCCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852016667	EF	On-Demand	Anodyne	MTNR1A	23	48
COC(=O)CCCCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852016668	EF	On-Demand	Anodyne	MTNR1A	23	48
N#CC[C@@H]1CCCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016669	DF	On-Demand	Mild	NOS2	99	39
N#CC[C@H]1CCCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016670	DF	On-Demand	Mild	NOS2	99	39
O=S1(=O)N=C(CN2CCC(N3CCc4cc(F)ccc43)CC2)c2ccccc21	ZINC000852016673	GF	On-Demand	Anodyne	SCD1	24	41
O=S1(=O)N=C(CN2CCC(N3CCc4cc(F)ccc43)CC2)c2ccccc21	ZINC000852016673	GF	On-Demand	Anodyne	SCD	24	41
CN1CCN(c2ncccc2CNC(=O)NCc2ncccn2)CC1	ZINC000852016674	EC	On-Demand	Anodyne	TRPV1	17	42
CN1CCN(c2ncccc2CNC(=O)NCc2ncccn2)CC1	ZINC000852016674	EC	On-Demand	Anodyne	HRH4	22	40
CN1CCN(c2ncccc2CNC(=O)NCc2ncccn2)CC1	ZINC000852016674	EC	On-Demand	Anodyne	SCN10A	19	42
CC(=NOCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1cc2ccccc2o1	ZINC000852016676	HH	On-Demand	Mild	FURIN	47	32
C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)C[C@@](C)(C(F)F)O1	ZINC000852016677	FF	On-Demand	Anodyne	NOS2	88	35
C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)C[C@](C)(C(F)F)O1	ZINC000852016678	FF	On-Demand	Anodyne	NOS2	88	35
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@@H](CCF)C1	ZINC000852016694	EG	On-Demand	Anodyne	NOS2	98	38
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@@H](CCF)C1	ZINC000852016694	EG	On-Demand	Anodyne	NAMPT	28	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@H](CCF)C1	ZINC000852016695	EG	On-Demand	Anodyne	NOS2	98	38
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@H](CCF)C1	ZINC000852016695	EG	On-Demand	Anodyne	NAMPT	28	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852016717	EH	On-Demand	Anodyne	NOS2	101	39
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852016717	EH	On-Demand	Anodyne	NAMPT	37	44
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@H](C2CCC2)C1	ZINC000852016718	EH	On-Demand	Anodyne	NOS2	101	39
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC[C@H](C2CCC2)C1	ZINC000852016718	EH	On-Demand	Anodyne	NAMPT	37	44
C=CC[C@H]1CCCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016721	DG	On-Demand	Mild	NOS2	96	37
C=CC[C@@H]1CCCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016722	DG	On-Demand	Mild	NOS2	96	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852016723	FF	On-Demand	Anodyne	NOS2	104	40
Fc1ccc2c(c1)CCN2C1CCN(Cc2cccc(F)n2)CC1	ZINC000852016736	EG	On-Demand	Anodyne	SCD1	24	43
Fc1ccc2c(c1)CCN2C1CCN(Cc2cccc(F)n2)CC1	ZINC000852016736	EG	On-Demand	Anodyne	SCD	23	43
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@@H](CO)C1CCC1	ZINC000852016737	DD	On-Demand	Anodyne	NOS2	71	37
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@H](CO)C1CCC1	ZINC000852016738	DD	On-Demand	Anodyne	NOS2	71	37
COCCN(CCF)C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016741	DD	On-Demand	Anodyne	NOS2	67	38
C#C[C@@H](NC(=O)NCc1ccc(-n2ccnc2)cc1)C1CCOCC1	ZINC000852016742	EE	On-Demand	Mild	NOS2	70	35
C#C[C@H](NC(=O)NCc1ccc(-n2ccnc2)cc1)C1CCOCC1	ZINC000852016743	EE	On-Demand	Mild	NOS2	70	35
O=C(NCCN1C[C@H]2CCCCN2C1=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016749	GD	On-Demand	Anodyne	NOS2	93	41
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016750	GD	On-Demand	Anodyne	NOS2	93	41
COC(=O)CCCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852016751	DD	On-Demand	Reactive	F10	47	30
CN(C[C@@H]1COCCO1)C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016762	ED	On-Demand	Anodyne	NOS2	93	39
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852016767	FF	On-Demand	Anodyne	CCR3	58	46
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852016767	FF	On-Demand	Anodyne	NOS2	91	37
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852016768	FF	On-Demand	Anodyne	CCR3	58	46
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852016768	FF	On-Demand	Anodyne	NOS2	91	37
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@H]1C=CCC1	ZINC000852016769	CE	On-Demand	Anodyne	NOS2	82	36
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@@H]1C=CCC1	ZINC000852016770	CE	On-Demand	Anodyne	NOS2	82	36
CC[C@@H](NC(=O)NCc1ccc(-n2ccnc2)cc1)C1CC1	ZINC000852016774	CF	On-Demand	Anodyne	NOS2	78	37
CO[C@@H]1CC[C@@H](N2CCC(N3CCc4cc(F)ccc43)CC2)C1	ZINC000852016780	DG	On-Demand	Anodyne	SCD1	24	44
CO[C@@H]1CC[C@@H](N2CCC(N3CCc4cc(F)ccc43)CC2)C1	ZINC000852016780	DG	On-Demand	Anodyne	SCD	23	44
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016785	DG	On-Demand	Mild	NOS2	73	36
O=C(NCCO[C@H]1CC1(F)F)NCc1ccc(-n2ccnc2)cc1	ZINC000852016786	EE	On-Demand	Anodyne	NOS2	62	35
O=C(NCCO[C@@H]1CC1(F)F)NCc1ccc(-n2ccnc2)cc1	ZINC000852016787	EE	On-Demand	Anodyne	NOS2	62	35
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC(C2CCC2)CC1	ZINC000852016794	EH	On-Demand	Anodyne	NOS2	99	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC(C2CCC2)CC1	ZINC000852016794	EH	On-Demand	Anodyne	NAMPT	47	43
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H]1CCC[C@H]2C[C@@H]21	ZINC000852016802	DG	On-Demand	Anodyne	NOS2	81	39
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H]1CCC[C@@H]2C[C@H]12	ZINC000852016803	DG	On-Demand	Anodyne	NOS2	81	39
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H]1CCC[C@@H]2C[C@@H]12	ZINC000852016804	DG	On-Demand	Anodyne	NOS2	81	39
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H]1CCC[C@H]2C[C@H]21	ZINC000852016805	DG	On-Demand	Anodyne	NOS2	81	39
C[C@@H](NC(=O)NCc1ccc(-n2ccnc2)cc1)C1CCC(F)CC1	ZINC000852016835	EH	On-Demand	Anodyne	NOS2	65	36
CC(=NO[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc2ccccc2o1	ZINC000852016844	GI	On-Demand	Mild	COLA	39	40
CC(=NO[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc2ccccc2o1	ZINC000852016845	GI	On-Demand	Mild	COLA	39	40
C=CCOCCCNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016860	DE	On-Demand	Mild	NOS2	50	33
CC(C)(C)OC(=O)C1(CNC(=O)NCc2ccc(-n3ccnc3)cc2)CCC1	ZINC000852016875	GG	On-Demand	Anodyne	NOS2	80	39
COC(=O)CCCCNC(=O)NC[C@@H](O)c1ccccc1OC	ZINC000852016923	DD	On-Demand	Anodyne	ADRB1	40	30
CC[C@@H](C)CCNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852016928	DG	On-Demand	Anodyne	NOS2	55	33
O=C(NCCCC1CCC1)NCc1ccc(-n2ccnc2)cc1	ZINC000852016930	DG	On-Demand	Anodyne	NOS2	71	37
O=C(NCC1=CCCC1)NCc1ccc(-n2ccnc2)cc1	ZINC000852016935	CF	On-Demand	Anodyne	NOS2	63	35
C[C@@H]1CN(CCN2CCO[C@@H](C(F)F)C2)C[C@@H](C)O1	ZINC000852016937	CD	On-Demand	Anodyne	ERG2	17	41
C[C@@H]1CN(CCN2CCO[C@@H](C(F)F)C2)C[C@@H](C)O1	ZINC000852016937	CD	On-Demand	Anodyne	Q2TU57_MAIZE	19	41
C[C@@H]1CN(CCN2CCO[C@H](C(F)F)C2)C[C@@H](C)O1	ZINC000852016939	CD	On-Demand	Anodyne	ERG2	17	41
C[C@@H]1CN(CCN2CCO[C@H](C(F)F)C2)C[C@@H](C)O1	ZINC000852016939	CD	On-Demand	Anodyne	Q2TU57_MAIZE	19	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC2(CCOCC2)[C@@H]1c1ccco1	ZINC000852016946	GH	On-Demand	Anodyne	NOS2	54	33
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC2(CCOCC2)[C@H]1c1ccco1	ZINC000852016947	GH	On-Demand	Anodyne	NOS2	54	33
COC(=O)CCCCNC(=O)NCc1ncccn1	ZINC000852016954	CC	On-Demand	Anodyne	EPHX2	22	48
C[C@@]1(C#N)CCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016955	DE	On-Demand	Mild	NOS2	63	34
COCCN(CCF)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000852016966	FD	On-Demand	Anodyne	CASR	50	39
COCCN(CCF)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000852016966	FD	On-Demand	Anodyne	ACKR3	45	33
COCCN(CCF)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000852016967	FD	On-Demand	Anodyne	CASR	50	39
COCCN(CCF)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000852016967	FD	On-Demand	Anodyne	ACKR3	45	33
CC(=NOCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1	ZINC000852016980	HI	On-Demand	Mild	PDS	41	32
O=C(OCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCC1(O)CCSCC1	ZINC000852016981	GF	On-Demand	Anodyne	SLC12A5	43	35
O=C(OCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCC1(O)CCSCC1	ZINC000852016982	GF	On-Demand	Anodyne	SLC12A5	43	35
O=C(OCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCC1(O)CCSCC1	ZINC000852016983	GF	On-Demand	Anodyne	SLC12A5	43	35
O=C(OCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCC1(O)CCSCC1	ZINC000852016984	GF	On-Demand	Anodyne	SLC12A5	43	35
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016990	DE	On-Demand	Anodyne	NOS2	73	36
C[C@@H](NC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)CCCO2	ZINC000852016992	GH	On-Demand	Anodyne	NOS2	97	37
COC1CC(CCNC(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852016997	EE	On-Demand	Anodyne	NOS2	70	38
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852017007	DG	On-Demand	Anodyne	NOS2	81	38
C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)C[C@H](CC(F)(F)F)O1	ZINC000852017014	GG	On-Demand	Anodyne	NOS2	83	36
C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)C[C@@H](CC(F)(F)F)O1	ZINC000852017015	GG	On-Demand	Anodyne	NOS2	83	36
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@@H]1CCNC1=O	ZINC000852017018	CC	On-Demand	Anodyne	NOS2	69	35
O=C(NCc1ccc(-n2ccnc2)cc1)N[C@H]1CCNC1=O	ZINC000852017019	CC	On-Demand	Anodyne	NOS2	69	35
CNC(=O)CC1(CNC(=O)NCc2ccc(-n3ccnc3)cc2)CCCCC1	ZINC000852017020	GF	On-Demand	Anodyne	NOS2	79	36
Fc1ccc2c(c1)CCN2C1CCN(CCn2cnc(Br)n2)CC1	ZINC000852017021	GF	On-Demand	Anodyne	SCD	24	43
CN1CCN(c2ncccc2CNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852017023	GC	On-Demand	Reactive	SCN10A	19	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852017024	EE	On-Demand	Anodyne	NOS2	62	33
O=C(NCc1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852017025	EE	On-Demand	Anodyne	NOS2	62	33
C[C@@]1(CNC(=O)NCc2ccc(-n3ccnc3)cc2)CC1(F)F	ZINC000852017042	DF	On-Demand	Anodyne	NOS2	69	35
CC(C)(C)N1CC[C@H](NC(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852017044	EF	On-Demand	Anodyne	NOS2	99	39
CC(C)(C)N1CC[C@@H](NC(=O)NCc2ccc(-n3ccnc3)cc2)C1	ZINC000852017045	EF	On-Demand	Anodyne	NOS2	99	39
CS(=O)(=O)C1(CNC(=O)NCc2ccc(-n3ccnc3)cc2)CCCCC1	ZINC000852017053	GE	On-Demand	Anodyne	NOS2	53	35
CS(=O)(=O)C1(CNC(=O)NCc2ccc(-n3ccnc3)cc2)CCCCC1	ZINC000852017053	GE	On-Demand	Anodyne	NAMPT	44	40
O=C(NCCCS(=O)(=O)c1ccccc1)NCc1ncccn1	ZINC000852017063	ED	On-Demand	Anodyne	NAMPT	52	49
COC(=O)CCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852017064	EE	On-Demand	Anodyne	HTR1A	20	60
COC(=O)CCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852017064	EE	On-Demand	Anodyne	DRD2	21	45
COC(=O)CCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852017064	EE	On-Demand	Anodyne	HTR1B	17	60
COC(=O)CCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852017064	EE	On-Demand	Anodyne	DRD3	42	37
COC(=O)CCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852017064	EE	On-Demand	Anodyne	HTR7	16	41
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852017075	FE	On-Demand	Anodyne	NOS2	88	36
COC(=O)CCCCNC(=O)N[C@H]1C=CCC1	ZINC000852017076	BD	On-Demand	Anodyne	EPHX2	25	58
COC(=O)CCCCNC(=O)N[C@@H]1C=CCC1	ZINC000852017077	BD	On-Demand	Anodyne	EPHX2	25	58
O=C(NCc1ccc(-n2ccnc2)cc1)N(Cc1ccccc1F)CC1CC1	ZINC000852017089	GI	On-Demand	Anodyne	NOS2	94	34
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC(c2ccon2)CC1	ZINC000852017096	FF	On-Demand	Anodyne	NOS2	99	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852017097	EE	On-Demand	Anodyne	NOS2	102	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852017097	EE	On-Demand	Anodyne	NAMPT	48	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852017098	EE	On-Demand	Anodyne	NOS2	102	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852017098	EE	On-Demand	Anodyne	NAMPT	48	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852017099	EE	On-Demand	Anodyne	NOS2	102	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852017099	EE	On-Demand	Anodyne	NAMPT	48	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852017100	EE	On-Demand	Anodyne	NOS2	102	40
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852017100	EE	On-Demand	Anodyne	NAMPT	48	41
COC(=O)CCCCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852017120	DC	On-Demand	Anodyne	EPHX2	17	53
C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(-n3ccnc3)cc2)O1	ZINC000852017124	EF	On-Demand	Anodyne	NOS2	84	37
C#CCOCCN1CCC(N2CCc3cc(F)ccc32)CC1	ZINC000852017125	DE	On-Demand	Mild	SCD	22	42
CN(CC1=CCCOC1)C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852017134	EE	On-Demand	Anodyne	NOS2	76	33
C[C@H]1C[C@H](NC(=O)NCc2ccc(-n3ccnc3)cc2)c2ncnn21	ZINC000852017138	ED	On-Demand	Anodyne	NOS2	72	36
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852017139	GF	On-Demand	Anodyne	NOS2	99	39
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852017140	GF	On-Demand	Anodyne	NOS2	99	39
CCSC1(CNC(=O)NCc2ccc(-n3ccnc3)cc2)CC1	ZINC000852017151	EF	On-Demand	Anodyne	NOS2	62	34
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC2(CCCC2)[C@@H]1c1ccco1	ZINC000852017167	GI	On-Demand	Anodyne	NOS2	72	34
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC2(CCCC2)[C@H]1c1ccco1	ZINC000852017168	GI	On-Demand	Anodyne	NOS2	72	34
O=C(NCc1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852017171	DF	On-Demand	Anodyne	NOS2	97	39
O=C(NCc1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852017171	DF	On-Demand	Anodyne	NAMPT	26	40
COC(=O)CCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852017178	ED	On-Demand	Clean	MTNR1A	21	48
COC(=O)CCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852017178	ED	On-Demand	Clean	MTNR1B	18	48
COC(=O)CCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852017178	ED	On-Demand	Clean	EPHX2	22	52
COC(=O)CCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852017179	ED	On-Demand	Clean	MTNR1A	21	48
COC(=O)CCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852017179	ED	On-Demand	Clean	MTNR1B	18	48
COC(=O)CCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852017179	ED	On-Demand	Clean	EPHX2	22	52
COc1cccc([C@]2(C)CCN(C(=O)NCc3ccc(-n4ccnc4)cc3)C2)c1	ZINC000852017192	GH	On-Demand	Anodyne	NOS2	51	38
NC(=O)[C@@](O)(CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccccc1	ZINC000852017196	GE	On-Demand	Anodyne	SCD1	25	42
NC(=O)[C@@](O)(CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccccc1	ZINC000852017196	GE	On-Demand	Anodyne	SCD	23	40
NC(=O)[C@](O)(CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccccc1	ZINC000852017197	GE	On-Demand	Anodyne	SCD1	25	42
NC(=O)[C@](O)(CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccccc1	ZINC000852017197	GE	On-Demand	Anodyne	SCD	23	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(-n4ccnc4)cc3)C2)cc1	ZINC000852017199	GF	On-Demand	Clean	NOS2	96	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(-n4ccnc4)cc3)C2)cc1	ZINC000852017199	GF	On-Demand	Clean	MCHR1	16	47
O[C@@H](CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccccn1	ZINC000852017202	EF	On-Demand	Anodyne	SCD1	24	42
O[C@@H](CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccccn1	ZINC000852017202	EF	On-Demand	Anodyne	SCD	24	42
O[C@H](CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccccn1	ZINC000852017203	EF	On-Demand	Anodyne	SCD1	24	42
O[C@H](CN1CCC(N2CCc3cc(F)ccc32)CC1)c1ccccn1	ZINC000852017203	EF	On-Demand	Anodyne	SCD	24	42
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852017210	GH	On-Demand	Anodyne	NOS2	64	38
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852017211	GH	On-Demand	Anodyne	NOS2	64	38
CS(=O)(=O)CC1(CCNC(=O)NCc2ccc(-n3ccnc3)cc2)CC1	ZINC000852017228	GD	On-Demand	Anodyne	NOS2	50	33
COC[C@@H](CCNC(=O)NCc1ccc(-n2ccnc2)cc1)OC	ZINC000852017236	ED	On-Demand	Anodyne	NOS2	57	36
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852017237	FD	On-Demand	Anodyne	NOS2	104	41
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852017238	FD	On-Demand	Anodyne	NOS2	104	41
O=C(NCc1ncccn1)NC[C@@H](c1cccc(F)c1)N1CCOCC1	ZINC000852017245	FD	On-Demand	Anodyne	MAPK1	35	40
O=C(NCc1ncccn1)NC[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000852017246	FD	On-Demand	Anodyne	MAPK1	35	40
O=C1CC[C@H]2CN(C(=O)NCc3ccc(-n4ccnc4)cc3)CC[C@H]2N1	ZINC000852017251	FD	On-Demand	Anodyne	NOS2	87	37
O=C1CC[C@@H]2CN(C(=O)NCc3ccc(-n4ccnc4)cc3)CC[C@H]2N1	ZINC000852017252	FD	On-Demand	Anodyne	NOS2	87	37
O=C1CC[C@H]2CN(C(=O)NCc3ccc(-n4ccnc4)cc3)CC[C@@H]2N1	ZINC000852017253	FD	On-Demand	Anodyne	NOS2	87	37
O=C1CC[C@@H]2CN(C(=O)NCc3ccc(-n4ccnc4)cc3)CC[C@@H]2N1	ZINC000852017254	FD	On-Demand	Anodyne	NOS2	87	37
O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@H]1C[C@H](c2ccccc2)CO1	ZINC000852017255	GG	On-Demand	Anodyne	NOS2	83	34
O[C@@H]1CCC[C@H]1N1CCO[C@H](C(F)F)C1	ZINC000852017257	BC	On-Demand	Anodyne	SLC18A3	30	41
O[C@@H]1CCC[C@H]1N1CCO[C@@H](C(F)F)C1	ZINC000852017258	BC	On-Demand	Anodyne	SLC18A3	30	41
C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)CCN1S(C)(=O)=O	ZINC000852017261	GD	On-Demand	Anodyne	NOS2	97	39
C[C@@H]1CN(C(=O)NCc2ccc(-n3ccnc3)cc2)CCN1S(C)(=O)=O	ZINC000852017261	GD	On-Demand	Anodyne	NAMPT	39	40
OC[C@]1(c2ccccc2)CCCN(CCCC2CCC2)C1	ZINC000852017271	CH	On-Demand	Anodyne	SIGMAR1	34	44
OC[C@]1(c2ccccc2)CCCN(CCCC2CCC2)C1	ZINC000852017271	CH	On-Demand	Anodyne	NPY1R	40	34
OC[C@]1(c2ccccc2)CCCN(CCCC2CCC2)C1	ZINC000852017271	CH	On-Demand	Anodyne	EBP	35	47
OC[C@@]1(c2ccccc2)CCCN(CCCC2CCC2)C1	ZINC000852017272	CH	On-Demand	Anodyne	SIGMAR1	34	44
OC[C@@]1(c2ccccc2)CCCN(CCCC2CCC2)C1	ZINC000852017272	CH	On-Demand	Anodyne	NPY1R	40	34
OC[C@@]1(c2ccccc2)CCCN(CCCC2CCC2)C1	ZINC000852017272	CH	On-Demand	Anodyne	EBP	35	47
CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(F)n2)C(C)(C)C1	ZINC000852017326	EG	On-Demand	Anodyne	GPR119	39	41
CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(F)n2)C(C)(C)C1	ZINC000852017327	EG	On-Demand	Anodyne	GPR119	39	41
CNS(=O)(=O)c1ccc(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1	ZINC000852017342	GE	On-Demand	Anodyne	MMP13	22	40
CNS(=O)(=O)c1ccc(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1	ZINC000852017342	GE	On-Demand	Anodyne	ADAM17	16	40
CNS(=O)(=O)c1ccc(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1	ZINC000852017342	GE	On-Demand	Anodyne	MMP9	16	40
CNS(=O)(=O)c1ccc(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1	ZINC000852017343	GE	On-Demand	Anodyne	MMP13	22	40
CNS(=O)(=O)c1ccc(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1	ZINC000852017343	GE	On-Demand	Anodyne	ADAM17	16	40
CNS(=O)(=O)c1ccc(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1	ZINC000852017343	GE	On-Demand	Anodyne	MMP9	16	40
CC(C)(C)OC(=O)N1CC[C@@H](NCC(=O)Nc2cnccn2)C(C)(C)C1	ZINC000852017349	FE	On-Demand	Anodyne	GPR119	38	48
CC(C)(C)OC(=O)N1CC[C@H](NCC(=O)Nc2cnccn2)C(C)(C)C1	ZINC000852017350	FE	On-Demand	Anodyne	GPR119	38	48
O=C(NCc1ccc(Br)cc1Cl)N[C@@H]1C=CCC1	ZINC000852017359	EH	On-Demand	Anodyne	P2RX7	44	38
O=C(NCc1ccc(Br)cc1Cl)N[C@H]1C=CCC1	ZINC000852017360	EH	On-Demand	Anodyne	P2RX7	44	38
OC[C@]1(c2ccccc2)CCCN(CCOC(F)F)C1	ZINC000852017361	CE	On-Demand	Anodyne	SLC6A3	21	40
OC[C@@]1(c2ccccc2)CCCN(CCOC(F)F)C1	ZINC000852017362	CE	On-Demand	Anodyne	SLC6A3	21	40
COC(=O)CCCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852017372	FF	On-Demand	Anodyne	ADRB1	19	47
COC(=O)CCCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852017372	FF	On-Demand	Anodyne	ADRB3	23	41
COC(=O)CCCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852017373	FF	On-Demand	Anodyne	ADRB1	19	47
COC(=O)CCCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852017373	FF	On-Demand	Anodyne	ADRB3	23	41
O=C(NCc1ccc(-n2ccnc2)cc1)NCc1cccnc1N1CCCC1	ZINC000852017396	GF	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1ccc(-n2ccnc2)cc1)NCc1cccnc1N1CCCC1	ZINC000852017396	GF	On-Demand	Anodyne	NOS2	97	38
O=C(NCc1ccc(-n2ccnc2)cc1)NCc1cccnc1N1CCCC1	ZINC000852017396	GF	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1ccc(-n2ccnc2)cc1)NCc1cccnc1N1CCCC1	ZINC000852017396	GF	On-Demand	Anodyne	NAMPT	44	42
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC(=O)O2)[C@@H](c2cccc(Cl)c2)C1	ZINC000852017404	GH	On-Demand	Anodyne	MDM2	69	36
CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)[C@@H](c2cccc(Cl)c2)C1	ZINC000852017405	GH	On-Demand	Anodyne	MDM2	69	36
CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCC(=O)O2)[C@H](c2cccc(Cl)c2)C1	ZINC000852017406	GH	On-Demand	Anodyne	MDM2	69	36
CC(C)(C)OC(=O)N1CCN(C[C@H]2CCC(=O)O2)[C@H](c2cccc(Cl)c2)C1	ZINC000852017407	GH	On-Demand	Anodyne	MDM2	69	36
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC2(CCC2)[C@@H]1c1ccncc1	ZINC000852017413	FH	On-Demand	Anodyne	NOS2	70	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1CC2(CCC2)[C@H]1c1ccncc1	ZINC000852017414	FH	On-Demand	Anodyne	NOS2	70	37
N#Cc1sccc1N1CCN(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1	ZINC000852017420	GF	On-Demand	Mild	NOS2	46	37
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1ccc(-n2ccnc2)cc1	ZINC000852017423	GD	On-Demand	Anodyne	NAMPT	38	41
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852017429	DG	On-Demand	Anodyne	NOS2	57	34
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852017429	DG	On-Demand	Anodyne	CYP2C19	16	40
CN(Cc1cn(C)nn1)C(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852017443	ED	On-Demand	Anodyne	NOS2	62	32
O=C(NCc1ccc(-n2ccnc2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852017444	FF	On-Demand	Anodyne	NOS2	93	38
O=C(NCc1ccc(-n2ccnc2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852017444	FF	On-Demand	Anodyne	NAMPT	43	37
O=C(NCc1ccc(-n2ccnc2)cc1)N1CCC(c2ccco2)CC1	ZINC000852017462	FH	On-Demand	Anodyne	NOS2	100	40
Fc1ccc2c(c1)CCN2C1CCN(Cc2cnon2)CC1	ZINC000852017464	DE	On-Demand	Anodyne	SCD1	24	40
Fc1ccc2c(c1)CCN2C1CCN(Cc2cnon2)CC1	ZINC000852017464	DE	On-Demand	Anodyne	SCD	24	44
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccc(-n3ccnc3)cc2)O1	ZINC000852017471	FC	On-Demand	Reactive	NOS2	95	37
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccc(-n3ccnc3)cc2)O1	ZINC000852017472	FC	On-Demand	Reactive	NOS2	95	37
OC[C@]1(c2ccccc2)CCCN(CCOCc2ccccc2)C1	ZINC000852017475	EG	On-Demand	Anodyne	LTA4H	21	42
OC[C@]1(c2ccccc2)CCCN(CCOCc2ccccc2)C1	ZINC000852017475	EG	On-Demand	Anodyne	TACR1	16	44
OC[C@]1(c2ccccc2)CCCN(CCOCc2ccccc2)C1	ZINC000852017475	EG	On-Demand	Anodyne	SLC12A5	68	36
OC[C@@]1(c2ccccc2)CCCN(CCOCc2ccccc2)C1	ZINC000852017477	EG	On-Demand	Anodyne	LTA4H	21	42
OC[C@@]1(c2ccccc2)CCCN(CCOCc2ccccc2)C1	ZINC000852017477	EG	On-Demand	Anodyne	TACR1	16	44
OC[C@@]1(c2ccccc2)CCCN(CCOCc2ccccc2)C1	ZINC000852017477	EG	On-Demand	Anodyne	SLC12A5	68	36
Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852017496	GF	On-Demand	Anodyne	NOS2	54	34
Cn1ncc(C2CC2)c1CNC(=O)NCc1ccc(-n2ccnc2)cc1	ZINC000852017507	FE	On-Demand	Anodyne	NOS2	63	36
COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(-n3ccnc3)cc2)cc1F	ZINC000852017510	GI	On-Demand	Anodyne	NOS2	88	40
CN(CCOC(F)F)CCc1cccc([N+](=O)[O-])c1	ZINC000852017532	CE	On-Demand	Bother	CACNA1D	58	34
CN1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1	ZINC000852017557	GD	On-Demand	Anodyne	ADRA1A	42	35
CN1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1	ZINC000852017559	GD	On-Demand	Anodyne	ADRA1A	42	35
CN1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)[C@H]1c1ccc(F)c(F)c1	ZINC000852017561	GD	On-Demand	Anodyne	ADRA1A	42	35
CN1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)[C@H]1c1ccc(F)c(F)c1	ZINC000852017564	GD	On-Demand	Anodyne	ADRA1A	42	35
N#C[C@@H](c1ccccc1)N1CCC[C@](CO)(c2ccccc2)C1	ZINC000852017565	DG	On-Demand	Mild	PTAFR	23	40
N#C[C@H](c1ccccc1)N1CCC[C@](CO)(c2ccccc2)C1	ZINC000852017566	DG	On-Demand	Mild	PTAFR	23	40
N#C[C@@H](c1ccccc1)N1CCC[C@@](CO)(c2ccccc2)C1	ZINC000852017567	DG	On-Demand	Mild	PTAFR	23	40
N#C[C@H](c1ccccc1)N1CCC[C@@](CO)(c2ccccc2)C1	ZINC000852017569	DG	On-Demand	Mild	PTAFR	23	40
NC(=O)[C@](O)(CN1CC[C@H](OC(F)F)C1)c1ccccc1	ZINC000852017610	DC	On-Demand	Anodyne	CHRM2	24	47
NC(=O)[C@](O)(CN1CC[C@H](OC(F)F)C1)c1ccccc1	ZINC000852017610	DC	On-Demand	Anodyne	CHRM3	46	47
NC(=O)[C@](O)(CN1CC[C@H](OC(F)F)C1)c1ccccc1	ZINC000852017610	DC	On-Demand	Anodyne	CYP2J2	45	32
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000852017612	FF	On-Demand	Anodyne	CACNA1I	60	36
NC(=O)[C@@](O)(CN1CC[C@H](OC(F)F)C1)c1ccccc1	ZINC000852017613	DC	On-Demand	Anodyne	CHRM2	24	47
NC(=O)[C@@](O)(CN1CC[C@H](OC(F)F)C1)c1ccccc1	ZINC000852017613	DC	On-Demand	Anodyne	CHRM3	46	47
NC(=O)[C@@](O)(CN1CC[C@H](OC(F)F)C1)c1ccccc1	ZINC000852017613	DC	On-Demand	Anodyne	CYP2J2	45	32
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000852017614	FF	On-Demand	Anodyne	CACNA1I	60	36
C#CCOCCN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000852017641	CD	On-Demand	Mild	HTR1A	65	45
C#CCOCCN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000852017641	CD	On-Demand	Mild	DRD2	49	45
C#CCOCCN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000852017641	CD	On-Demand	Mild	DRD4	37	40
C#CCOCCN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000852017641	CD	On-Demand	Mild	HTR2A	26	42
C#CCOCCN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000852017641	CD	On-Demand	Mild	DRD3	49	40
C#CCOCCN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000852017641	CD	On-Demand	Mild	HTR7	49	35
Fc1cccc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)n1	ZINC000852017644	CI	On-Demand	Anodyne	SLC18A3	30	47
O=S1(=O)N=C(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c2ccccc21	ZINC000852017657	FH	On-Demand	Anodyne	SLC18A3	16	43
COc1cc(N2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017671	FD	On-Demand	Anodyne	HTR1A	55	41
COc1cc(N2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017671	FD	On-Demand	Anodyne	DRD2	40	39
COc1cc(N2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017671	FD	On-Demand	Anodyne	HTR2A	21	41
COc1cc(N2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017671	FD	On-Demand	Anodyne	DRD3	48	39
COc1cc(N2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017671	FD	On-Demand	Anodyne	HTR7	40	35
COc1cc(N2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017672	FD	On-Demand	Anodyne	HTR1A	55	41
COc1cc(N2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017672	FD	On-Demand	Anodyne	DRD2	40	39
COc1cc(N2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017672	FD	On-Demand	Anodyne	HTR2A	21	41
COc1cc(N2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017672	FD	On-Demand	Anodyne	DRD3	48	39
COc1cc(N2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)ccc1F	ZINC000852017672	FD	On-Demand	Anodyne	HTR7	40	35
C#CCOCCN(C)CCc1cccc([N+](=O)[O-])c1	ZINC000852017728	CD	On-Demand	Mild	CACNA1D	48	37
O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N[C@@H]1C=CCC1	ZINC000852017839	DG	On-Demand	Anodyne	CACNA1I	45	33
O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N[C@H]1C=CCC1	ZINC000852017840	DG	On-Demand	Anodyne	CACNA1I	45	33
O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N[C@@H]1C=CCC1	ZINC000852017841	DG	On-Demand	Anodyne	CACNA1I	45	33
O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N[C@H]1C=CCC1	ZINC000852017842	DG	On-Demand	Anodyne	CACNA1I	45	33
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	HTR1A	30	46
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	DRD2	22	46
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	DRD4	36	48
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	HTR2C	15	40
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	CCR1	39	42
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	IKBKB	40	34
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	PRNP	50	35
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	STAT6	40	38
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	ENPP1	56	36
COc1cc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)ccc1F	ZINC000852017913	GF	On-Demand	Anodyne	SLC27A1	52	42
C#CCOCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852017919	CG	On-Demand	Mild	SLC18A3	22	48
NC(=O)[C@](O)(CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccc1	ZINC000852017929	FF	On-Demand	Anodyne	CHRM2	22	41
NC(=O)[C@](O)(CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccc1	ZINC000852017929	FF	On-Demand	Anodyne	CHRM3	31	48
NC(=O)[C@](O)(CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccc1	ZINC000852017929	FF	On-Demand	Anodyne	SLC18A3	39	50
NC(=O)[C@](O)(CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccc1	ZINC000852017929	FF	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@@](O)(CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccc1	ZINC000852017930	FF	On-Demand	Anodyne	CHRM2	22	41
NC(=O)[C@@](O)(CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccc1	ZINC000852017930	FF	On-Demand	Anodyne	CHRM3	31	48
NC(=O)[C@@](O)(CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccc1	ZINC000852017930	FF	On-Demand	Anodyne	SLC18A3	39	50
NC(=O)[C@@](O)(CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccc1	ZINC000852017930	FF	On-Demand	Anodyne	AMY2	43	30
COc1cc(N2CCN(C[C@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017967	EE	On-Demand	Anodyne	HTR1A	31	40
COc1cc(N2CCN(C[C@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017967	EE	On-Demand	Anodyne	DRD2	25	43
COc1cc(N2CCN(C[C@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017967	EE	On-Demand	Anodyne	DRD4	45	43
COc1cc(N2CCN(C[C@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017967	EE	On-Demand	Anodyne	ADRA1A	15	40
COc1cc(N2CCN(C[C@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017967	EE	On-Demand	Anodyne	ABCB1	35	40
COc1cc(N2CCN(C[C@@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017968	EE	On-Demand	Anodyne	HTR1A	31	40
COc1cc(N2CCN(C[C@@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017968	EE	On-Demand	Anodyne	DRD2	25	43
COc1cc(N2CCN(C[C@@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017968	EE	On-Demand	Anodyne	DRD4	45	43
COc1cc(N2CCN(C[C@@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017968	EE	On-Demand	Anodyne	ADRA1A	15	40
COc1cc(N2CCN(C[C@@H](O)c3ccccn3)CC2)ccc1F	ZINC000852017968	EE	On-Demand	Anodyne	ABCB1	35	40
CC(C)(C)OC(=O)N1CC[C@H](NCC(=O)Nc2ccc(Cl)nc2)C(C)(C)C1	ZINC000852018030	GG	On-Demand	Anodyne	GPR119	43	37
CC(C)(C)OC(=O)N1CC[C@@H](NCC(=O)Nc2ccc(Cl)nc2)C(C)(C)C1	ZINC000852018031	GG	On-Demand	Anodyne	GPR119	43	37
COc1cccc(SCCN2CCC[C@](CO)(c3ccccc3)C2)c1	ZINC000852018049	FH	On-Demand	Anodyne	DRD4	40	31
COc1cccc(SCCN2CCC[C@@](CO)(c3ccccc3)C2)c1	ZINC000852018050	FH	On-Demand	Anodyne	DRD4	40	31
CCOP(=O)(OCC)[C@H](O)CN[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852018053	GG	On-Demand	Anodyne	SIGMAR1	34	40
CCOP(=O)(OCC)[C@H](O)CN[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852018054	GG	On-Demand	Anodyne	SIGMAR1	34	40
CCOP(=O)(OCC)[C@@H](O)CN[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852018055	GG	On-Demand	Anodyne	SIGMAR1	34	40
CCOP(=O)(OCC)[C@@H](O)CN[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852018056	GG	On-Demand	Anodyne	SIGMAR1	34	40
CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852018063	EG	On-Demand	Mild	KCNJ1	17	43
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852018064	EG	On-Demand	Mild	KCNJ1	17	43
C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000852018071	HC	On-Demand	Mild	CA2	21	46
C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000852018072	HC	On-Demand	Mild	CA2	21	46
O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)NNc1ccc(Cl)cn1	ZINC000852018078	GH	On-Demand	Reactive	F10	50	33
O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)NNc1ccc(Cl)cn1	ZINC000852018079	GH	On-Demand	Reactive	F10	50	33
CC(C)(C)OC(=O)NC[C@]1(C)CCN([C@H](C#N)c2ccccc2)C1	ZINC000852018080	EG	On-Demand	Mild	PTAFR	36	43
CC(C)(C)OC(=O)NC[C@]1(C)CCN([C@@H](C#N)c2ccccc2)C1	ZINC000852018081	EG	On-Demand	Mild	PTAFR	36	43
CC(C)(C)OC(=O)NC[C@@]1(C)CCN([C@@H](C#N)c2ccccc2)C1	ZINC000852018093	EG	On-Demand	Mild	PTAFR	36	43
CC(C)(C)OC(=O)NC[C@@]1(C)CCN([C@H](C#N)c2ccccc2)C1	ZINC000852018094	EG	On-Demand	Mild	PTAFR	36	43
COc1cc(N2CCN(CCC(OC)OC)CC2)ccc1F	ZINC000852018135	DD	On-Demand	Anodyne	HTR1A	45	42
COc1cc(N2CCN(CCC(OC)OC)CC2)ccc1F	ZINC000852018135	DD	On-Demand	Anodyne	DRD2	31	42
COc1cc(N2CCN(CCC(OC)OC)CC2)ccc1F	ZINC000852018135	DD	On-Demand	Anodyne	DRD4	32	40
COc1cc(N2CCN(CCC(OC)OC)CC2)ccc1F	ZINC000852018135	DD	On-Demand	Anodyne	HTR2A	19	42
COc1cc(N2CCN(CCC(OC)OC)CC2)ccc1F	ZINC000852018135	DD	On-Demand	Anodyne	HTR7	38	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)ON=C(C)c2cc3ccccc3o2)c1	ZINC000852018154	HI	On-Demand	Mild	MTNR1A	51	38
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)ON=C(C)c2cc3ccccc3o2)c1	ZINC000852018154	HI	On-Demand	Mild	MTNR1B	49	38
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)ON=C(C)c2cc3ccccc3o2)c1	ZINC000852018156	HI	On-Demand	Mild	MTNR1A	51	38
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)ON=C(C)c2cc3ccccc3o2)c1	ZINC000852018156	HI	On-Demand	Mild	MTNR1B	49	38
CN1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000852018219	ED	On-Demand	Anodyne	CHRM3	26	40
CN1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000852018220	ED	On-Demand	Anodyne	CHRM3	26	40
CN1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000852018221	ED	On-Demand	Anodyne	CHRM3	26	40
CN1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000852018222	ED	On-Demand	Anodyne	CHRM3	26	40
O[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccn1	ZINC000852018233	DH	On-Demand	Anodyne	SLC18A3	37	67
O[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccn1	ZINC000852018233	DH	On-Demand	Anodyne	EBP	15	40
O[C@H](CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccn1	ZINC000852018233	DH	On-Demand	Anodyne	Q8WSF8_APLCA	23	40
O[C@@H](CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccn1	ZINC000852018235	DH	On-Demand	Anodyne	SLC18A3	37	67
O[C@@H](CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccn1	ZINC000852018235	DH	On-Demand	Anodyne	EBP	15	40
O[C@@H](CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2)c1ccccn1	ZINC000852018235	DH	On-Demand	Anodyne	Q8WSF8_APLCA	23	40
CC(=NO[C@@H](C)C(=O)NCCOc1cccc(C)c1)c1cc2ccccc2o1	ZINC000852018242	GI	On-Demand	Mild	MTNR1A	48	43
CC(=NO[C@@H](C)C(=O)NCCOc1cccc(C)c1)c1cc2ccccc2o1	ZINC000852018242	GI	On-Demand	Mild	MTNR1B	39	43
CC(=NO[C@H](C)C(=O)NCCOc1cccc(C)c1)c1cc2ccccc2o1	ZINC000852018243	GI	On-Demand	Mild	MTNR1A	48	43
CC(=NO[C@H](C)C(=O)NCCOc1cccc(C)c1)c1cc2ccccc2o1	ZINC000852018243	GI	On-Demand	Mild	MTNR1B	39	43
COc1cc(N2CCN(C[C@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018294	DE	On-Demand	Anodyne	ADRA1D	22	48
COc1cc(N2CCN(C[C@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018294	DE	On-Demand	Anodyne	ADRA1A	17	48
COc1cc(N2CCN(C[C@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018294	DE	On-Demand	Anodyne	ADRA1B	20	48
COc1cc(N2CCN(C[C@@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018295	DE	On-Demand	Anodyne	ADRA1D	22	48
COc1cc(N2CCN(C[C@@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018295	DE	On-Demand	Anodyne	ADRA1A	17	48
COc1cc(N2CCN(C[C@@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018295	DE	On-Demand	Anodyne	ADRA1B	20	48
NC(=O)[C@](O)(CN1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1	ZINC000852018353	FB	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@](O)(CN1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1	ZINC000852018353	FB	On-Demand	Anodyne	CHRM3	34	41
NC(=O)[C@](O)(CN1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1	ZINC000852018353	FB	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@@](O)(CN1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1	ZINC000852018355	FB	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@@](O)(CN1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1	ZINC000852018355	FB	On-Demand	Anodyne	CHRM3	34	41
NC(=O)[C@@](O)(CN1CCCN(S(=O)(=O)C2CC2)CC1)c1ccccc1	ZINC000852018355	FB	On-Demand	Anodyne	CYP2J2	45	32
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000852018385	FE	On-Demand	Anodyne	CACNA1I	54	33
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000852018387	FE	On-Demand	Anodyne	CACNA1I	54	33
c1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2cnon2)cc1	ZINC000852018416	CF	On-Demand	Anodyne	SLC18A3	19	47
NC(=O)[C@](O)(CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1)c1ccccc1	ZINC000852018427	FE	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1)c1ccccc1	ZINC000852018429	FE	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccccc1	ZINC000852018431	FE	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@](O)(CN1CC[C@H](C(F)(F)F)C2(CCC2)C1)c1ccccc1	ZINC000852018434	FE	On-Demand	Anodyne	CYP2J2	43	30
COc1cc(N2CCN(CCOC(F)F)CC2)ccc1F	ZINC000852018442	DE	On-Demand	Anodyne	HTR1A	42	41
COc1cc(N2CCN(CCOC(F)F)CC2)ccc1F	ZINC000852018442	DE	On-Demand	Anodyne	DRD2	32	45
COc1cc(N2CCN(CCOC(F)F)CC2)ccc1F	ZINC000852018442	DE	On-Demand	Anodyne	DRD4	33	40
COc1cc(N2CCN(CCOC(F)F)CC2)ccc1F	ZINC000852018442	DE	On-Demand	Anodyne	HTR2A	19	45
COc1cc(N2CCN(CCOC(F)F)CC2)ccc1F	ZINC000852018442	DE	On-Demand	Anodyne	SLC6A4	16	41
COc1cc(N2CCN(CCOC(F)F)CC2)ccc1F	ZINC000852018442	DE	On-Demand	Anodyne	DRD3	29	40
COc1cc(N2CCN(CCOC(F)F)CC2)ccc1F	ZINC000852018442	DE	On-Demand	Anodyne	SLC6A3	27	41
CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2nsc3ccccc23)C1	ZINC000852018471	FI	On-Demand	Anodyne	DRD2	15	44
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2nsc3ccccc23)C1	ZINC000852018472	FI	On-Demand	Anodyne	DRD2	15	44
CO[C@@H]1CC[C@@H](N(C)CCc2cccc([N+](=O)[O-])c2)C1	ZINC000852018526	CF	On-Demand	Bother	CACNA1C	45	40
CO[C@@H]1CC[C@@H](N(C)CCc2cccc([N+](=O)[O-])c2)C1	ZINC000852018526	CF	On-Demand	Bother	CACNA1D	68	35
FC(F)OCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018571	CH	On-Demand	Anodyne	CHRM1	20	42
FC(F)OCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018571	CH	On-Demand	Anodyne	SLC6A3	53	54
FC(F)OCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018571	CH	On-Demand	Anodyne	SLC18A3	39	54
O=C(NCc1ncccn1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000852018613	EE	On-Demand	Anodyne	CACNA1I	49	33
O=C(NCc1ncccn1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000852018614	EE	On-Demand	Anodyne	CACNA1I	49	33
COCCN(CCF)C(=O)NCc1ccc(Br)cc1Cl	ZINC000852018628	FG	On-Demand	Anodyne	P2RX7	47	38
CCCCN(Cc1coc(C)n1)Cc1ccccc1O	ZINC000852018640	CG	On-Demand	Clean	TSPO	16	48
COc1ccc(CN(CC2CCC2)C[C@](O)(C(N)=O)c2ccccc2)c(OC)c1	ZINC000852018641	GF	On-Demand	Anodyne	AMY2	44	30
COc1ccc(CN(CC2CCC2)C[C@@](O)(C(N)=O)c2ccccc2)c(OC)c1	ZINC000852018642	GF	On-Demand	Anodyne	AMY2	44	30
COc1cc(N2CCN(CC[C@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018752	EE	On-Demand	Anodyne	HTR1A	22	45
COc1cc(N2CCN(CC[C@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018752	EE	On-Demand	Anodyne	DRD2	15	45
COc1cc(N2CCN(CC[C@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018752	EE	On-Demand	Anodyne	DRD4	21	45
COc1cc(N2CCN(CC[C@@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018754	EE	On-Demand	Anodyne	HTR1A	22	45
COc1cc(N2CCN(CC[C@@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018754	EE	On-Demand	Anodyne	DRD2	15	45
COc1cc(N2CCN(CC[C@@H]3COC(C)(C)O3)CC2)ccc1F	ZINC000852018754	EE	On-Demand	Anodyne	DRD4	21	45
COC(=O)c1ccc2nc(CN[C@H]3CCc4ccccc4OC3)[nH]c2c1	ZINC000852018791	FF	On-Demand	Anodyne	CXCR4	22	44
COC(=O)c1ccc2nc(CN[C@H]3CCc4ccccc4OC3)[nH]c2c1	ZINC000852018791	FF	On-Demand	Anodyne	ROCK2	21	42
COC(=O)c1ccc2nc(CN[C@@H]3CCc4ccccc4OC3)[nH]c2c1	ZINC000852018794	FF	On-Demand	Anodyne	CXCR4	22	44
COC(=O)c1ccc2nc(CN[C@@H]3CCc4ccccc4OC3)[nH]c2c1	ZINC000852018794	FF	On-Demand	Anodyne	ROCK2	21	42
O=C(NCC1SCCS1)NC[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000852018797	FG	On-Demand	Anodyne	CACNA1I	53	34
O=C(NCC1SCCS1)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000852018799	FG	On-Demand	Anodyne	CACNA1I	53	34
CC(C)(C)OC(=O)N1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)C(C)(C)C1	ZINC000852018805	GD	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@](O)(C(N)=O)c2ccccc2)C(C)(C)C1	ZINC000852018807	GD	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)OC(=O)N1CC[C@@H](NC[C@](O)(C(N)=O)c2ccccc2)C(C)(C)C1	ZINC000852018809	GD	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)OC(=O)N1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)C(C)(C)C1	ZINC000852018811	GD	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCOCc2ccccc2)C1	ZINC000852018837	EG	On-Demand	Anodyne	SLC12A5	66	36
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCOCc2ccccc2)C1	ZINC000852018838	EG	On-Demand	Anodyne	SLC12A5	66	36
CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1	ZINC000852018874	GH	On-Demand	Bother	GPR119	33	46
CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1	ZINC000852018875	GH	On-Demand	Bother	GPR119	33	46
CC(C)(C)OC(=O)N1CC[C@H](NC[C@@H](O)c2ccccn2)C(C)(C)C1	ZINC000852018876	EF	On-Demand	Anodyne	GPR119	44	46
CC(C)(C)OC(=O)N1CC[C@H](NC[C@H](O)c2ccccn2)C(C)(C)C1	ZINC000852018877	EF	On-Demand	Anodyne	GPR119	44	46
CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@H](O)c2ccccn2)C(C)(C)C1	ZINC000852018878	EF	On-Demand	Anodyne	GPR119	44	46
CC(C)(C)OC(=O)N1CC[C@@H](NC[C@H](O)c2ccccn2)C(C)(C)C1	ZINC000852018879	EF	On-Demand	Anodyne	GPR119	44	46
CCOP(=O)(OCC)[C@H](O)CN1CCOc2cc(OC)ccc2C1	ZINC000852018890	FE	On-Demand	Anodyne	ADAM9	46	35
CCOP(=O)(OCC)[C@@H](O)CN1CCOc2cc(OC)ccc2C1	ZINC000852018891	FE	On-Demand	Anodyne	ADAM9	46	35
O=C1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)O1	ZINC000852018900	CG	On-Demand	Anodyne	SLC18A3	33	47
O=C1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)O1	ZINC000852018901	CG	On-Demand	Anodyne	SLC18A3	33	47
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018971	FH	On-Demand	Anodyne	SLC6A3	27	59
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018971	FH	On-Demand	Anodyne	SLC18A3	32	59
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018971	FH	On-Demand	Anodyne	ACHP_LYMST	18	40
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018971	FH	On-Demand	Anodyne	Q8WSF8_APLCA	32	40
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018972	FH	On-Demand	Anodyne	SLC6A3	27	59
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018972	FH	On-Demand	Anodyne	SLC18A3	32	59
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018972	FH	On-Demand	Anodyne	ACHP_LYMST	18	40
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852018972	FH	On-Demand	Anodyne	Q8WSF8_APLCA	32	40
Nc1cccc(CN2CCC[C@](CO)(c3ccccc3)C2)c1	ZINC000852019013	CF	On-Demand	Anodyne	SIGMAR1	22	40
Nc1cccc(CN2CCC[C@@](CO)(c3ccccc3)C2)c1	ZINC000852019014	CF	On-Demand	Anodyne	SIGMAR1	22	40
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000852019128	GF	On-Demand	Anodyne	ABCB1	17	40
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccc(F)c(OC)c2)CC1	ZINC000852019129	GF	On-Demand	Anodyne	ABCB1	17	40
OC[C@@]1(c2ccccc2)CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852019141	CE	On-Demand	Anodyne	SLC18A3	72	50
FC(F)OCCN1CC[C@](F)(c2ccccc2)C1	ZINC000852019164	CF	On-Demand	Anodyne	SLC6A3	23	42
FC(F)OCCN1CC[C@@](F)(c2ccccc2)C1	ZINC000852019167	CF	On-Demand	Anodyne	SLC6A3	23	42
COc1cc(N2CCN(Cc3cccc(F)n3)CC2)ccc1F	ZINC000852019175	DF	On-Demand	Anodyne	HTR1A	29	44
COc1cc(N2CCN(Cc3cccc(F)n3)CC2)ccc1F	ZINC000852019175	DF	On-Demand	Anodyne	DRD2	27	44
COc1cc(N2CCN(Cc3cccc(F)n3)CC2)ccc1F	ZINC000852019175	DF	On-Demand	Anodyne	DRD4	52	40
COc1cc(N2CCN(Cc3cccc(F)n3)CC2)ccc1F	ZINC000852019175	DF	On-Demand	Anodyne	DRD3	26	43
COC[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852019249	CB	On-Demand	Anodyne	AMY2	55	33
COC[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852019249	CB	On-Demand	Anodyne	KIF11	28	40
COC[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852019251	CB	On-Demand	Anodyne	AMY2	55	33
COC[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852019251	CB	On-Demand	Anodyne	KIF11	28	40
COC[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852019253	CB	On-Demand	Anodyne	AMY2	55	33
COC[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852019253	CB	On-Demand	Anodyne	KIF11	28	40
COC[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852019255	CB	On-Demand	Anodyne	AMY2	55	33
COC[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852019255	CB	On-Demand	Anodyne	KIF11	28	40
CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCc2nsc3ccccc23)C1	ZINC000852019260	GI	On-Demand	Anodyne	HTR1A	16	44
CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCc2nsc3ccccc23)C1	ZINC000852019260	GI	On-Demand	Anodyne	DRD2	22	45
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCc2nsc3ccccc23)C1	ZINC000852019262	GI	On-Demand	Anodyne	HTR1A	16	44
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCc2nsc3ccccc23)C1	ZINC000852019262	GI	On-Demand	Anodyne	DRD2	22	45
COc1cc(N2CCN(CC3=NS(=O)(=O)c4ccccc43)CC2)ccc1F	ZINC000852019265	GE	On-Demand	Anodyne	DRD2	21	45
COc1cc(N2CCN(CC3=NS(=O)(=O)c4ccccc43)CC2)ccc1F	ZINC000852019265	GE	On-Demand	Anodyne	DRD3	20	45
COc1cc(N2CCN(CC3=NS(=O)(=O)c4ccccc43)CC2)ccc1F	ZINC000852019265	GE	On-Demand	Anodyne	HTR7	24	41
CCCN(C[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CC(=O)N(C)C1=O	ZINC000852019273	EB	On-Demand	Anodyne	AMY2	53	30
CCCN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CC(=O)N(C)C1=O	ZINC000852019274	EB	On-Demand	Anodyne	AMY2	53	30
CCCN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CC(=O)N(C)C1=O	ZINC000852019275	EB	On-Demand	Anodyne	AMY2	53	30
CCCN(C[C@](O)(C(N)=O)c1ccccc1)[C@H]1CC(=O)N(C)C1=O	ZINC000852019276	EB	On-Demand	Anodyne	AMY2	53	30
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@](CO)(c2ccccc2)C1	ZINC000852019281	FH	On-Demand	Anodyne	CCR1	50	35
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@](CO)(c2ccccc2)C1	ZINC000852019292	FH	On-Demand	Anodyne	CCR1	50	35
CC(C)(C)OC(=O)N1CC[C@@H](NCCc2ccc(C#N)cc2)C(C)(C)C1	ZINC000852019313	FH	On-Demand	Mild	GPR119	32	43
CC(C)(C)OC(=O)N1CC[C@H](NCCc2ccc(C#N)cc2)C(C)(C)C1	ZINC000852019315	FH	On-Demand	Mild	GPR119	32	43
N#Cc1ccc(CCN2CCC[C@](CO)(c3ccccc3)C2)cc1	ZINC000852019354	DG	On-Demand	Mild	SIGMAR1	16	46
N#Cc1ccc(CCN2CCC[C@](CO)(c3ccccc3)C2)cc1	ZINC000852019354	DG	On-Demand	Mild	KCNJ1	28	51
N#Cc1ccc(CCN2CCC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000852019358	DG	On-Demand	Mild	SIGMAR1	16	46
N#Cc1ccc(CCN2CCC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000852019358	DG	On-Demand	Mild	KCNJ1	28	51
O=C(NCc1ccc(Br)cc1Cl)NCC1SCCS1	ZINC000852019383	GH	On-Demand	Anodyne	P2RX7	40	36
Brc1ncn(CCN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)n1	ZINC000852019439	FG	On-Demand	Anodyne	SLC18A3	23	50
CN(CC=C(Cl)Cl)CCc1cccc([N+](=O)[O-])c1	ZINC000852019481	CG	On-Demand	Bother	CACNA1D	64	33
OC[C@@]1(c2ccccc2)CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852019530	CD	On-Demand	Anodyne	SLC18A3	68	47
OC[C@]1(c2ccccc2)CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852019531	CD	On-Demand	Anodyne	SLC18A3	68	47
N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@](CO)(c2ccccc2)C1	ZINC000852019534	EH	On-Demand	Mild	CCR1	23	40
N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@](CO)(c2ccccc2)C1	ZINC000852019535	EH	On-Demand	Mild	CCR1	23	40
N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@](CO)(c2ccccc2)C1	ZINC000852019536	EH	On-Demand	Mild	CCR1	23	40
N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@@](CO)(c2ccccc2)C1	ZINC000852019537	EH	On-Demand	Mild	CCR1	23	40
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2cccc(N)c2)C1	ZINC000852019557	DG	On-Demand	Anodyne	HRH2	26	46
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2cccc(N)c2)C1	ZINC000852019557	DG	On-Demand	Anodyne	NPFFR2	32	40
CC(C)(C)OC(=O)NC[C@@]1(C)CCN(Cc2cccc(N)c2)C1	ZINC000852019557	DG	On-Demand	Anodyne	NPFFR1	41	36
CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2cccc(N)c2)C1	ZINC000852019558	DG	On-Demand	Anodyne	HRH2	26	46
CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2cccc(N)c2)C1	ZINC000852019558	DG	On-Demand	Anodyne	NPFFR2	32	40
CC(C)(C)OC(=O)NC[C@]1(C)CCN(Cc2cccc(N)c2)C1	ZINC000852019558	DG	On-Demand	Anodyne	NPFFR1	41	36
OC[C@@]1(c2ccccc2)CCCN(CCC2CCC2)C1	ZINC000852019574	CG	On-Demand	Anodyne	EBP	18	40
OC[C@]1(c2ccccc2)CCCN(CCC2CCC2)C1	ZINC000852019575	CG	On-Demand	Anodyne	EBP	18	40
N#CCCOCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019585	CD	On-Demand	Mild	CCR1	50	44
Cn1nccc1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019586	CD	On-Demand	Anodyne	CCR1	47	39
OC1(c2ccc(Cl)cc2)CN(C[C@@]2(O)CCCOC2)C1	ZINC000852019593	CD	On-Demand	Anodyne	CCR1	43	36
OC1(c2ccc(Cl)cc2)CN(C[C@]2(O)CCCOC2)C1	ZINC000852019594	CD	On-Demand	Anodyne	CCR1	43	36
Cc1nc(CN2CC(O)(c3ccc(Cl)cc3)C2)c(C)o1	ZINC000852019595	CF	On-Demand	Anodyne	CCR1	35	40
CC(C)(C)OC(=O)CNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019596	FD	On-Demand	Anodyne	CCR1	46	41
CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3cccc(N)c3)C2)C1	ZINC000852019597	EG	On-Demand	Anodyne	HRH2	17	41
OC1(c2ccc(Cl)cc2)CN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852019619	FF	On-Demand	Anodyne	DRD4	15	45
OC1(c2ccc(Cl)cc2)CN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852019619	FF	On-Demand	Anodyne	CCR1	44	38
COC(=O)c1cccc(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)n1	ZINC000852019620	GD	On-Demand	Anodyne	CCR1	46	37
C#CCOCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019621	CD	On-Demand	Mild	CCR1	47	40
COC(=O)[C@@H](c1ccsc1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019630	EF	On-Demand	Anodyne	CCR1	30	41
COC1(CCN2CC(O)(c3ccc(Cl)cc3)C2)CCC1	ZINC000852019631	CF	On-Demand	Anodyne	CCR1	65	42
CC(C)(C)OC(=O)N1CCN(CCN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852019632	GE	On-Demand	Anodyne	DRD3	15	45
CC(C)(C)OC(=O)N1CCN(CCN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852019632	GE	On-Demand	Anodyne	CCR1	83	42
OC1(c2ccc(Cl)cc2)CN(CCF)C1	ZINC000852019635	BD	On-Demand	Anodyne	CCR1	64	43
OC1(CCN2CC(O)(c3ccc(Cl)cc3)C2)CCC1	ZINC000852019639	CE	On-Demand	Anodyne	CCR1	67	42
Cn1cncc1CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019664	DE	On-Demand	Anodyne	CCR1	47	39
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1cccnc1	ZINC000852019668	EE	On-Demand	Anodyne	CCR1	51	41
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1cccnc1	ZINC000852019668	EE	On-Demand	Anodyne	NAMPT	22	49
OC1(c2ccc(Cl)cc2)CN(CC2CCC2)C1	ZINC000852019669	CF	On-Demand	Anodyne	CCR1	54	38
CC(C)(C)N1CC[C@H](N2CC(O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852019678	DE	On-Demand	Anodyne	CCR1	65	43
CC(C)(C)N1CC[C@@H](N2CC(O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852019679	DE	On-Demand	Anodyne	CCR1	65	43
O=S(=O)(NC1CC1)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019680	GE	On-Demand	Anodyne	TBXA2R	41	32
O=S(=O)(NC1CC1)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019680	GE	On-Demand	Anodyne	CCR1	34	50
C=CCOCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019684	CE	On-Demand	Mild	CCR1	46	40
OC1(c2ccc(Cl)cc2)CN(C[C@H]2CN(c3ccccc3)CCO2)C1	ZINC000852019685	FF	On-Demand	Anodyne	DRD4	23	43
OC1(c2ccc(Cl)cc2)CN(C[C@H]2CN(c3ccccc3)CCO2)C1	ZINC000852019685	FF	On-Demand	Anodyne	CCR1	49	41
OC1(c2ccc(Cl)cc2)CN(C[C@@H]2CN(c3ccccc3)CCO2)C1	ZINC000852019686	FF	On-Demand	Anodyne	DRD4	23	43
OC1(c2ccc(Cl)cc2)CN(C[C@@H]2CN(c3ccccc3)CCO2)C1	ZINC000852019686	FF	On-Demand	Anodyne	CCR1	49	41
OC1(c2ccc(Cl)cc2)CN(CCc2ccncc2)C1	ZINC000852019687	CE	On-Demand	Anodyne	CCR1	48	39
OC1(c2ccc(Cl)cc2)CN(CCN2C[C@@H]3CC[C@H](C2)O3)C1	ZINC000852019688	DD	On-Demand	Anodyne	CCR1	50	40
Cn1cc(CCN2CC(O)(c3ccc(Cl)cc3)C2)cn1	ZINC000852019689	CD	On-Demand	Anodyne	CCR1	46	36
COC(=O)C1(CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852019694	CD	On-Demand	Anodyne	CCR1	82	43
C[C@H](C#N)OCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019695	CD	On-Demand	Mild	CCR1	58	45
C[C@@H](C#N)OCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019696	CD	On-Demand	Mild	CCR1	58	45
CNS(=O)(=O)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019703	FD	On-Demand	Anodyne	TBXA2R	43	37
CNS(=O)(=O)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019703	FD	On-Demand	Anodyne	CCR1	52	53
COC(=O)[C@H](N1CC(O)(c2ccc(Cl)cc2)C1)C1(OC)CCC1	ZINC000852019706	ED	On-Demand	Anodyne	CCR1	69	38
CN(C)C(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019717	CD	On-Demand	Anodyne	CCR1	70	41
COc1cncc(CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852019727	DE	On-Demand	Anodyne	CCR1	22	40
CO[C@@H](C)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019730	CD	On-Demand	Anodyne	CCR1	67	39
Cc1nc(CN2CC(O)(c3ccc(Cl)cc3)C2)co1	ZINC000852019736	CE	On-Demand	Anodyne	CCR1	47	38
C#CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019737	BD	On-Demand	Mild	CCR1	54	41
O=C1O[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)CN1c1ccccc1	ZINC000852019738	FF	On-Demand	Anodyne	CCR1	47	38
O=C1O[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)CN1c1ccccc1	ZINC000852019739	FF	On-Demand	Anodyne	CCR1	47	38
C[C@@](O)(CN1CC(O)(c2ccc(Cl)cc2)C1)C(F)(F)F	ZINC000852019740	DE	On-Demand	Anodyne	CCR1	48	40
C#CCNC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019742	CC	On-Demand	Mild	CCR1	73	39
OC1(c2ccc(Cl)cc2)CN(Cc2ccc(F)cn2)C1	ZINC000852019749	CF	On-Demand	Anodyne	CCR1	26	42
C#CCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019750	BE	On-Demand	Mild	CCR1	61	44
C[C@H](CN1CCOCC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019757	DD	On-Demand	Anodyne	CCR1	58	38
O[C@@H](Cc1ccc(F)cc1)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019763	EF	On-Demand	Anodyne	CCR1	32	42
O[C@H](Cc1ccc(F)cc1)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019764	EF	On-Demand	Anodyne	CCR1	32	42
OC1(c2ccc(Cl)cc2)CN(CC[C@@H]2CCCCO2)C1	ZINC000852019772	CF	On-Demand	Anodyne	CCR1	42	37
OC1(c2ccc(Cl)cc2)CN(CC[C@H]2CCCCO2)C1	ZINC000852019773	CF	On-Demand	Anodyne	CCR1	42	37
OC1(c2ccc(Cl)cc2)CN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000852019776	FF	On-Demand	Anodyne	DRD2	15	45
OC1(c2ccc(Cl)cc2)CN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000852019776	FF	On-Demand	Anodyne	DRD4	45	45
OC1(c2ccc(Cl)cc2)CN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000852019776	FF	On-Demand	Anodyne	DRD3	16	45
OC1(c2ccc(Cl)cc2)CN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000852019776	FF	On-Demand	Anodyne	SIGMAR1	33	43
OC1(c2ccc(Cl)cc2)CN(Cc2cccc(CN3CCOCC3)c2)C1	ZINC000852019776	FF	On-Demand	Anodyne	CCR1	44	38
C[C@@H]1CN(CCN2CC(O)(c3ccc(Cl)cc3)C2)CCO1	ZINC000852019790	DD	On-Demand	Anodyne	CCR1	55	39
OC1(c2ccc(Cl)cc2)CN(CCCCF)C1	ZINC000852019799	CF	On-Demand	Anodyne	DRD4	15	51
OC1(c2ccc(Cl)cc2)CN(CCCCF)C1	ZINC000852019799	CF	On-Demand	Anodyne	CCR1	73	46
OCCOCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019809	CC	On-Demand	Anodyne	CCR1	50	42
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCN(c2cnccn2)CC1	ZINC000852019817	GC	On-Demand	Anodyne	CCR1	46	36
CC[C@@H](C(=O)OC)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019826	CD	On-Demand	Anodyne	CCR1	66	41
COCCc1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019828	GE	On-Demand	Anodyne	ADRB1	17	47
COCCc1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019828	GE	On-Demand	Anodyne	ABCB1	42	38
COCCc1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019829	GE	On-Demand	Anodyne	ADRB1	17	47
COCCc1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019829	GE	On-Demand	Anodyne	ABCB1	42	38
NC(=O)[C@@](O)(CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852019833	ED	On-Demand	Anodyne	CCR1	68	47
NC(=O)[C@](O)(CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852019834	ED	On-Demand	Anodyne	CCR1	68	47
OC1(CN2CC(O)(c3ccc(Cl)cc3)C2)CCC1	ZINC000852019835	CD	On-Demand	Anodyne	CCR1	60	41
CN1[C@H]2CC[C@H]1CC([C@H](NC[C@H](O)c1ccccn1)c1ccc(Cl)cc1)C2	ZINC000852019840	GH	On-Demand	Anodyne	SLC6A3	22	43
CN1[C@H]2CC[C@H]1CC([C@@H](NC[C@H](O)c1ccccn1)c1ccc(Cl)cc1)C2	ZINC000852019841	GH	On-Demand	Anodyne	SLC6A3	22	43
CN1[C@H]2CC[C@H]1CC([C@@H](NC[C@@H](O)c1ccccn1)c1ccc(Cl)cc1)C2	ZINC000852019842	GH	On-Demand	Anodyne	SLC6A3	22	43
CN1[C@H]2CC[C@H]1CC([C@H](NC[C@@H](O)c1ccccn1)c1ccc(Cl)cc1)C2	ZINC000852019843	GH	On-Demand	Anodyne	SLC6A3	22	43
COc1ncccc1CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019850	DE	On-Demand	Anodyne	DRD4	17	42
CC(=O)c1ccc(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019862	FF	On-Demand	Anodyne	CCR1	48	38
CN(C)c1ccc(NC(=O)CCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852019865	FF	On-Demand	Anodyne	CCR1	56	37
CC(C)(C)OC(=O)NCCOCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019870	FE	On-Demand	Anodyne	CCR1	63	43
CN(C)S(=O)(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019872	DC	On-Demand	Anodyne	CCR1	64	44
OC1(c2ccc(Cl)cc2)CN(C[C@@H]2CCC(F)(F)C2)C1	ZINC000852019873	DG	On-Demand	Anodyne	CCR1	49	36
OC1(c2ccc(Cl)cc2)CN(C[C@H]2CCC(F)(F)C2)C1	ZINC000852019874	DG	On-Demand	Anodyne	CCR1	49	36
CCN(C)C[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019877	CD	On-Demand	Anodyne	CCR1	40	35
OC1(c2ccc(Cl)cc2)CN(Cc2nnc3n2CCCC3)C1	ZINC000852019878	DD	On-Demand	Anodyne	HSD11B2	15	48
C[S@@](=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019882	CD	On-Demand	Anodyne	CCR1	75	44
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019886	GD	On-Demand	Anodyne	CCR1	48	40
CCOC(=O)COCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019887	DD	On-Demand	Anodyne	CCR1	60	43
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)N1CCCC1	ZINC000852019888	DD	On-Demand	Anodyne	CCR1	85	42
C=C[C@H](C(=O)OC)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019891	CD	On-Demand	Mild	CCR1	54	38
C=C[C@@H](C(=O)OC)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019892	CD	On-Demand	Mild	CCR1	54	38
CO[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)C1CCC1	ZINC000852019897	CF	On-Demand	Anodyne	CCR1	42	35
CC1(C)CC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)O1	ZINC000852019920	CF	On-Demand	Anodyne	CCR1	63	37
CNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019922	CC	On-Demand	Anodyne	CCR1	81	43
N#CC1(CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852019924	CE	On-Demand	Mild	CCR1	64	44
OC1(c2ccc(Cl)cc2)CN(CCn2cc(Cl)cn2)C1	ZINC000852019933	DE	On-Demand	Anodyne	CCR1	45	38
CCOC(=O)CCCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019937	EF	On-Demand	Anodyne	CCR1	66	45
O=C1O[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)CC12CC2	ZINC000852019944	DD	On-Demand	Anodyne	CCR1	45	37
O=C1O[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)CC12CC2	ZINC000852019945	DD	On-Demand	Anodyne	CCR1	45	37
CC(C)(C#N)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019956	CF	On-Demand	Mild	CCR1	65	53
CCOP(=O)(OCC)[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019959	FE	On-Demand	Anodyne	CCR1	44	37
CCOP(=O)(OCC)[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019960	FE	On-Demand	Anodyne	CCR1	44	37
OC1(c2ccc(Cl)cc2)CN(CCC[C@@H]2CCOC2)C1	ZINC000852019963	CF	On-Demand	Anodyne	CCR1	46	39
OC1(c2ccc(Cl)cc2)CN(CCC[C@H]2CCOC2)C1	ZINC000852019964	CF	On-Demand	Anodyne	CCR1	46	39
OC1(c2ccc(Cl)cc2)CN(CCOCC2CCC2)C1	ZINC000852019967	CF	On-Demand	Anodyne	CCR1	52	39
C=C(C)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019972	CF	On-Demand	Mild	CCR1	58	41
O=C(c1ccccc1)N1CC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852019973	FG	On-Demand	Anodyne	CCR1	88	47
O=C(c1ccccc1)N1CC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852019973	FG	On-Demand	Anodyne	SMO	37	40
O=C(c1ccccc1)N1CC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852019974	FG	On-Demand	Anodyne	CCR1	88	47
O=C(c1ccccc1)N1CC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852019974	FG	On-Demand	Anodyne	SMO	37	40
CN(C[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C	ZINC000852019978	FE	On-Demand	Anodyne	CCR1	40	35
COc1ccc(OC)c([C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852019987	FF	On-Demand	Anodyne	CCR1	29	40
O=C1NCC[C@@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019992	CD	On-Demand	Anodyne	CCR1	44	37
O=C1NCC[C@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852019993	CD	On-Demand	Anodyne	CCR1	44	37
OC1(c2ccc(Cl)cc2)CN(CC2CC(F)(F)C2)C1	ZINC000852019994	CF	On-Demand	Anodyne	CCR1	41	36
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)NCC(=O)c1ccccc1	ZINC000852019995	FE	On-Demand	Anodyne	DRD4	15	46
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)NCC(=O)c1ccccc1	ZINC000852019995	FE	On-Demand	Anodyne	CCR1	74	44
CON(C)C(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020000	CD	On-Demand	Anodyne	CCR1	64	41
OC1(c2ccc(Cl)cc2)CN(CCN2CCCCC2)C1	ZINC000852020007	CE	On-Demand	Anodyne	DRD4	19	45
OC1(c2ccc(Cl)cc2)CN(CCN2CCCCC2)C1	ZINC000852020007	CE	On-Demand	Anodyne	DRD3	16	45
OC1(c2ccc(Cl)cc2)CN(CCN2CCCCC2)C1	ZINC000852020007	CE	On-Demand	Anodyne	TPR	15	49
OC1(c2ccc(Cl)cc2)CN(CCN2CCCCC2)C1	ZINC000852020007	CE	On-Demand	Anodyne	HRH3	17	47
OC1(c2ccc(Cl)cc2)CN(CCN2CCCCC2)C1	ZINC000852020007	CE	On-Demand	Anodyne	SIGMAR1	16	43
OC1(c2ccc(Cl)cc2)CN(CCN2CCCCC2)C1	ZINC000852020007	CE	On-Demand	Anodyne	CCR1	81	47
COC[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020013	CC	On-Demand	Anodyne	CCR1	65	37
C[C@@H](O)CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020021	CE	On-Demand	Anodyne	CCR1	84	52
OC1(c2ccc(Cl)cc2)CN(CCC(F)(F)F)C1	ZINC000852020033	CF	On-Demand	Anodyne	CCR1	61	44
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020035	DF	On-Demand	Anodyne	OPRL1	20	53
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020035	DF	On-Demand	Anodyne	CCR1	65	52
CO[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000852020040	CE	On-Demand	Anodyne	CCR1	45	36
O=S(=O)(CCCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020042	FF	On-Demand	Anodyne	CCR1	75	58
CC(C)(C)OC(=O)N1CC[C@@](O)(CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020043	GE	On-Demand	Anodyne	CCR1	76	40
CC(C)(C)OC(=O)N1CC[C@](O)(CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020044	GE	On-Demand	Anodyne	CCR1	76	40
O=S(=O)(CCN1CC(O)(c2ccc(Cl)cc2)C1)Cc1ccccc1	ZINC000852020046	FE	On-Demand	Anodyne	CCR1	64	47
Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852020052	FD	On-Demand	Anodyne	CHRM3	23	45
Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852020052	FD	On-Demand	Anodyne	AMY2	53	30
Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C[C@](O)(C(N)=O)c1ccccc1	ZINC000852020053	FD	On-Demand	Anodyne	CHRM3	23	45
Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C[C@](O)(C(N)=O)c1ccccc1	ZINC000852020053	FD	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)OC(=O)NC[C@](C)(O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020054	FE	On-Demand	Anodyne	CCR1	44	38
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020055	FE	On-Demand	Anodyne	CCR1	44	38
COC(=O)[C@@H](C1CC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020063	CD	On-Demand	Anodyne	CCR1	67	38
OC1(c2ccc(Cl)cc2)CN(CCCc2ccncc2)C1	ZINC000852020067	DF	On-Demand	Anodyne	CCR1	53	42
C[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020072	BD	On-Demand	Anodyne	CCR1	74	41
OC1(c2ccc(Cl)cc2)CN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000852020079	FF	On-Demand	Anodyne	DRD4	42	45
OC1(c2ccc(Cl)cc2)CN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000852020079	FF	On-Demand	Anodyne	SIGMAR1	19	45
OC1(c2ccc(Cl)cc2)CN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000852020079	FF	On-Demand	Anodyne	CCR1	46	38
Cn1cc([C@@H]2CCCCN2CC(=O)Nc2ccc(Cl)nc2)cn1	ZINC000852020084	EF	On-Demand	Anodyne	PANC	49	33
O=S(=O)(CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020086	FE	On-Demand	Anodyne	CCR1	48	56
COC(C)(C)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020087	CF	On-Demand	Anodyne	CCR1	61	46
COC(=O)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)nc1	ZINC000852020093	EE	On-Demand	Anodyne	CCR1	42	36
COC(=O)c1cccc(CN2CC(O)(c3ccc(Cl)cc3)C2)n1	ZINC000852020094	EE	On-Demand	Anodyne	CCR1	52	38
O=C1Nc2ccccc2S[C@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020095	FG	On-Demand	Anodyne	CCR1	48	36
O=C1Nc2ccccc2S[C@@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020096	FG	On-Demand	Anodyne	CCR1	48	36
O=C1c2ccccc2C(=O)N1OCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020099	GE	On-Demand	Anodyne	DRD5	15	42
O=C1c2ccccc2C(=O)N1OCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020099	GE	On-Demand	Anodyne	CCR1	59	43
O=C1N[C@@H]2CCCC[C@H]2C[C@H]1N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020100	EE	On-Demand	Anodyne	CCR1	17	40
O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020101	EE	On-Demand	Anodyne	CCR1	17	40
O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020102	EE	On-Demand	Anodyne	CCR1	17	40
O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020103	EE	On-Demand	Anodyne	CCR1	17	40
N#Cc1ccc(CCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020113	DF	On-Demand	Mild	CCR1	43	41
N#Cc1ccc(CCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020113	DF	On-Demand	Mild	KCNJ1	22	44
N#CC1(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CCC1	ZINC000852020119	DD	On-Demand	Mild	CCR1	63	39
CC[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)OC	ZINC000852020126	CE	On-Demand	Anodyne	CCR1	42	37
CC[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)OC	ZINC000852020127	CE	On-Demand	Anodyne	CCR1	42	37
CCOC(=O)C1CCC(O)(CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852020130	FE	On-Demand	Anodyne	CCR1	55	41
Cn1c(=O)c(CN2CC(O)(c3ccc(Cl)cc3)C2)cc2ccccc21	ZINC000852020131	FF	On-Demand	Anodyne	CCR1	50	40
CC[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020132	CD	On-Demand	Anodyne	CCR1	63	39
OC1(c2ccc(Cl)cc2)CN(CC2(Br)CC2)C1	ZINC000852020135	DF	On-Demand	Anodyne	CCR1	62	41
CC(C)(C)[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020141	CE	On-Demand	Anodyne	CCR1	71	40
CC(C)(C)OC(=O)N1CC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020142	FG	On-Demand	Anodyne	CCR1	69	37
CC(C)(C)OC(=O)N1CC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020142	FG	On-Demand	Anodyne	CACNA1I	57	34
CC(C)(C)OC(=O)N1CC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020142	FG	On-Demand	Anodyne	GPR119	42	38
CC(C)(C)OC(=O)N1CC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020143	FG	On-Demand	Anodyne	CCR1	69	37
CC(C)(C)OC(=O)N1CC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020143	FG	On-Demand	Anodyne	CACNA1I	57	34
CC(C)(C)OC(=O)N1CC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020143	FG	On-Demand	Anodyne	GPR119	42	38
OC1(c2ccc(Cl)cc2)CN(CCC2CC2)C1	ZINC000852020152	CF	On-Demand	Anodyne	DRD3	17	42
OC1(c2ccc(Cl)cc2)CN(CCC2CC2)C1	ZINC000852020152	CF	On-Demand	Anodyne	CCR1	64	40
OC1(c2ccc(Cl)cc2)CN(Cc2cccc(Br)n2)C1	ZINC000852020155	FG	On-Demand	Anodyne	CCR1	42	38
OC1(c2ccc(Cl)cc2)CN(CCC2CCOCC2)C1	ZINC000852020161	CF	On-Demand	Anodyne	CCR1	47	37
CN(C)S(=O)(=O)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020163	GE	On-Demand	Anodyne	CCR1	36	45
Cn1cncc1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020187	CD	On-Demand	Anodyne	CCR1	45	38
CC(C)c1nnc(CN2CC(O)(c3ccc(Cl)cc3)C2)n1C	ZINC000852020192	DE	On-Demand	Anodyne	CCR1	46	36
O=C1CC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)N1	ZINC000852020193	CD	On-Demand	Anodyne	CCR1	41	36
O=C1CCC(=O)N1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020195	DC	On-Demand	Anodyne	ADRA1D	21	49
O=C1CCC(=O)N1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020195	DC	On-Demand	Anodyne	CCR1	57	42
CC(C)(C#N)CCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020200	DH	On-Demand	Mild	CCR1	69	55
O[C@@H](CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020202	DF	On-Demand	Anodyne	OPRL1	23	61
O[C@@H](CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020202	DF	On-Demand	Anodyne	CCR1	72	56
O[C@H](CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020203	DF	On-Demand	Anodyne	OPRL1	23	61
O[C@H](CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020203	DF	On-Demand	Anodyne	CCR1	72	56
C[C@@H]1NC(=O)N(CCN2CC(O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852020204	DC	On-Demand	Anodyne	CCR1	68	37
Cc1nonc1CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020213	CD	On-Demand	Anodyne	CCR1	28	41
OC1(c2ccc(Cl)cc2)CN(CCOC2CCC2)C1	ZINC000852020220	CE	On-Demand	Anodyne	CCR1	49	38
OC1(c2ccc(Cl)cc2)CN(CC2CC=CC2)C1	ZINC000852020223	CF	On-Demand	Anodyne	CCR1	43	40
OC1(c2ccc(Cl)cc2)CN(CCc2cccnc2)C1	ZINC000852020230	CE	On-Demand	Anodyne	CCR1	46	45
CCN1CC[C@@H](N2CC(O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852020242	CD	On-Demand	Anodyne	CCR1	58	38
CCN1CC[C@H](N2CC(O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852020243	CD	On-Demand	Anodyne	CCR1	58	38
OC1(c2ccc(Cl)cc2)CN(Cc2cncn2Cc2ccccc2)C1	ZINC000852020247	FG	On-Demand	Anodyne	CYP11B1	17	49
OC1(c2ccc(Cl)cc2)CN(Cc2cncn2Cc2ccccc2)C1	ZINC000852020247	FG	On-Demand	Anodyne	CCR1	43	39
O=[N+]([O-])c1cc(F)ccc1CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020248	EG	On-Demand	Bother	CCR1	17	41
OC1(c2ccc(Cl)cc2)CN(Cc2ncccn2)C1	ZINC000852020257	CD	On-Demand	Anodyne	DRD4	15	43
OC1(c2ccc(Cl)cc2)CN(Cc2ncccn2)C1	ZINC000852020257	CD	On-Demand	Anodyne	CCR1	51	43
CC(C)(C)OC(=O)N1CC(CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020258	FF	On-Demand	Anodyne	CCR1	49	35
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000852020266	CD	On-Demand	Anodyne	CCR1	56	38
O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000852020267	CD	On-Demand	Anodyne	CCR1	56	38
CC(=O)[C@](C)(O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020269	CD	On-Demand	Anodyne	CCR1	67	39
CC(=O)[C@@](C)(O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020270	CD	On-Demand	Anodyne	CCR1	67	39
OC1(c2ccc(Cl)cc2)CN(CCOC(F)F)C1	ZINC000852020274	CE	On-Demand	Anodyne	CCR1	49	40
C=C(Cl)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020275	CF	On-Demand	Mild	CCR1	46	39
CN1CCC[C@H](N2CC(O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852020292	CD	On-Demand	Anodyne	CCR1	72	41
O=c1ccccn1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020293	DD	On-Demand	Anodyne	CCR1	82	45
OC1(CN2CC(O)(c3ccc(Cl)cc3)C2)CCSCC1	ZINC000852020298	DE	On-Demand	Anodyne	CCR1	53	39
COCCSCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020299	DF	On-Demand	Anodyne	CCR1	56	44
C=CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020302	BE	On-Demand	Mild	CCR1	50	40
O=C1NCCN1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020309	CC	On-Demand	Anodyne	CCR1	62	41
OC1(c2ccc(Cl)cc2)CN(CC2OCCO2)C1	ZINC000852020325	CD	On-Demand	Anodyne	CCR1	42	38
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852020329	GF	On-Demand	Bother	CCR1	41	42
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852020329	GF	On-Demand	Bother	WDR5	35	42
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020335	GE	On-Demand	Anodyne	CCR1	40	34
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020336	GE	On-Demand	Anodyne	CCR1	40	34
O[C@@H]1CCC[C@H]1N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020337	CD	On-Demand	Anodyne	SLC18A3	30	68
CC(C)(C)OC(=O)NCc1nc(CN2CC(O)(c3ccc(Cl)cc3)C2)no1	ZINC000852020349	GE	On-Demand	Anodyne	CCR1	28	40
CC(C)(C)C(=O)N1CCC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020353	FG	On-Demand	Anodyne	CCR1	71	37
CC(C)(C)C(=O)N1CCC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020354	FG	On-Demand	Anodyne	CCR1	71	37
N#CCc1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020360	DG	On-Demand	Mild	CCR1	47	41
CS(=O)(=O)N1CC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020371	ED	On-Demand	Anodyne	CCR1	57	43
CS(=O)(=O)N1CC[C@@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020372	ED	On-Demand	Anodyne	CCR1	57	43
C[C@H]1C[C@@H](C)CN(CCN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020373	DF	On-Demand	Anodyne	CCR1	60	41
O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cn1	ZINC000852020377	DE	On-Demand	Anodyne	CCR1	23	40
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cn1	ZINC000852020378	DE	On-Demand	Anodyne	CCR1	23	40
NS(=O)(=O)c1cc(Cl)cc(CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020384	GE	On-Demand	Anodyne	CCR1	33	47
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)N1CCOc2ccccc21	ZINC000852020386	FF	On-Demand	Anodyne	DRD4	16	57
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)N1CCOc2ccccc21	ZINC000852020386	FF	On-Demand	Anodyne	CCR1	51	38
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)N1CCCCC1	ZINC000852020388	DE	On-Demand	Anodyne	DRD4	15	46
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)N1CCCCC1	ZINC000852020388	DE	On-Demand	Anodyne	CCR1	83	41
CN(C[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000852020392	DD	On-Demand	Anodyne	CCR1	49	35
N#Cc1cnccc1CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020396	CE	On-Demand	Mild	CCR1	34	41
O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852020397	FC	On-Demand	Reactive	CACNA1C	42	35
O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852020397	FC	On-Demand	Reactive	CACNA1D	63	35
O[C@H](COc1cccc2[nH]ccc12)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020399	FF	On-Demand	Anodyne	ADRB1	21	48
O[C@H](COc1cccc2[nH]ccc12)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020399	FF	On-Demand	Anodyne	HTR1A	16	55
O[C@H](COc1cccc2[nH]ccc12)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020399	FF	On-Demand	Anodyne	SLC6A4	19	46
O[C@H](COc1cccc2[nH]ccc12)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020399	FF	On-Demand	Anodyne	ABCB1	41	39
O[C@@H](COc1cccc2[nH]ccc12)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020400	FF	On-Demand	Anodyne	ADRB1	21	48
O[C@@H](COc1cccc2[nH]ccc12)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020400	FF	On-Demand	Anodyne	HTR1A	16	55
O[C@@H](COc1cccc2[nH]ccc12)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020400	FF	On-Demand	Anodyne	SLC6A4	19	46
O[C@@H](COc1cccc2[nH]ccc12)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020400	FF	On-Demand	Anodyne	ABCB1	41	39
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccc([N+](=O)[O-])cc1	ZINC000852020401	GF	On-Demand	Bother	CCR1	51	40
Cc1ccc(OC[C@@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1	ZINC000852020402	FF	On-Demand	Anodyne	PYGL	32	48
Cc1ccc(OC[C@@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1	ZINC000852020402	FF	On-Demand	Anodyne	PYGM	29	48
Cc1ccc(OC[C@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1	ZINC000852020403	FF	On-Demand	Anodyne	PYGL	32	48
Cc1ccc(OC[C@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1	ZINC000852020403	FF	On-Demand	Anodyne	PYGM	29	48
Cc1ccc(OC[C@@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1	ZINC000852020404	FF	On-Demand	Anodyne	PYGL	32	48
Cc1ccc(OC[C@@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1	ZINC000852020404	FF	On-Demand	Anodyne	PYGM	29	48
Cc1ccc(OC[C@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1	ZINC000852020405	FF	On-Demand	Anodyne	PYGL	32	48
Cc1ccc(OC[C@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1	ZINC000852020405	FF	On-Demand	Anodyne	PYGM	29	48
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCc1cccc([N+](=O)[O-])c1)C2	ZINC000852020406	GF	On-Demand	Bother	CACNA1C	63	38
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCc1cccc([N+](=O)[O-])c1)C2	ZINC000852020406	GF	On-Demand	Bother	CACNA1D	93	37
COc1ccc(CC[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020411	GE	On-Demand	Anodyne	BMP1	74	39
COc1ccc(CC[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020411	GE	On-Demand	Anodyne	MMP13	20	40
COc1ccc(CC[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020411	GE	On-Demand	Anodyne	CTSL	15	40
COc1ccc(CC[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020411	GE	On-Demand	Anodyne	MMP8	18	40
COc1ccc(CC[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020411	GE	On-Demand	Anodyne	MMP12	22	40
COc1ccc(CC[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020411	GE	On-Demand	Anodyne	CA9	15	41
COc1ccc(CC[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020412	GE	On-Demand	Anodyne	BMP1	74	39
COc1ccc(CC[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020412	GE	On-Demand	Anodyne	MMP13	20	40
COc1ccc(CC[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020412	GE	On-Demand	Anodyne	CTSL	15	40
COc1ccc(CC[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020412	GE	On-Demand	Anodyne	MMP8	18	40
COc1ccc(CC[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020412	GE	On-Demand	Anodyne	MMP12	22	40
COc1ccc(CC[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852020412	GE	On-Demand	Anodyne	CA9	15	41
COc1ccc(C)cc1NC(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020414	FG	On-Demand	Anodyne	CCR1	41	35
COc1ccc(C)cc1NC(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020415	FG	On-Demand	Anodyne	CCR1	41	35
NC(=O)c1ccsc1NC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020416	GE	On-Demand	Anodyne	CCR1	35	40
CCOC[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020428	CD	On-Demand	Anodyne	CCR1	42	36
CCN(C)C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020432	CD	On-Demand	Anodyne	CCR1	56	39
CC(C)(C)OC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020434	DF	On-Demand	Anodyne	CCR1	65	40
O=S(=O)(CCCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020435	GF	On-Demand	Anodyne	DRD4	15	53
O=S(=O)(CCCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020435	GF	On-Demand	Anodyne	ERG2	19	49
O=S(=O)(CCCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020435	GF	On-Demand	Anodyne	CCR1	55	60
CC(C)(C)NC(=O)CNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020444	FC	On-Demand	Anodyne	CCR1	58	43
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCc1cc(F)cc(F)c1	ZINC000852020447	FE	On-Demand	Anodyne	CCR1	44	40
COc1cccc(OC)c1OC[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020450	GE	On-Demand	Anodyne	CCR1	48	39
COc1cccc(OC)c1OC[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020450	GE	On-Demand	Anodyne	ABCB1	58	42
COc1cccc(OC)c1OC[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020451	GE	On-Demand	Anodyne	CCR1	48	39
COc1cccc(OC)c1OC[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020451	GE	On-Demand	Anodyne	ABCB1	58	42
CCOc1ccccc1NC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020457	FG	On-Demand	Anodyne	CCR1	69	39
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCCc1c(F)cccc1F	ZINC000852020460	GE	On-Demand	Anodyne	CCR1	44	42
CN(CC1CC1)C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020469	DD	On-Demand	Anodyne	CCR1	71	36
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)cc1	ZINC000852020478	GF	On-Demand	Anodyne	CACNA1I	53	38
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)cc1	ZINC000852020479	GF	On-Demand	Anodyne	CACNA1I	53	38
C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852020481	GE	On-Demand	Bother	CACNA1C	42	39
C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852020481	GE	On-Demand	Bother	CACNA1D	60	35
O=C(NCCCN1CC(O)(c2ccc(Cl)cc2)C1)C(F)(F)F	ZINC000852020493	ED	On-Demand	Anodyne	ADRA1A	15	42
O=C(NCCCN1CC(O)(c2ccc(Cl)cc2)C1)C(F)(F)F	ZINC000852020493	ED	On-Demand	Anodyne	ADRA1B	15	46
O=C(NCCCN1CC(O)(c2ccc(Cl)cc2)C1)C(F)(F)F	ZINC000852020493	ED	On-Demand	Anodyne	DRD3	15	46
O=C(NCCCN1CC(O)(c2ccc(Cl)cc2)C1)C(F)(F)F	ZINC000852020493	ED	On-Demand	Anodyne	ERG2	17	42
O=C(NCCCN1CC(O)(c2ccc(Cl)cc2)C1)C(F)(F)F	ZINC000852020493	ED	On-Demand	Anodyne	CCR1	72	52
O=C(NCc1ccc(N2CCCNC2=O)cc1)NCc1cccc([N+](=O)[O-])c1	ZINC000852020496	GF	On-Demand	Bother	CACNA1C	52	36
O=C(NCc1ccc(N2CCCNC2=O)cc1)NCc1cccc([N+](=O)[O-])c1	ZINC000852020496	GF	On-Demand	Bother	CACNA1D	84	36
Cc1noc(C)c1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020499	DF	On-Demand	Anodyne	CCR1	33	50
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)NC(=O)NCC(F)(F)F	ZINC000852020501	GD	On-Demand	Anodyne	CCR1	52	40
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC(C1CC1)C1CC1	ZINC000852020508	EE	On-Demand	Anodyne	CCR1	91	40
OC1(c2ccc(Cl)cc2)CN(Cc2nc3ccccc3n2C(F)F)C1	ZINC000852020514	FH	On-Demand	Anodyne	GRM2	15	44
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1	ZINC000852020518	EF	On-Demand	Anodyne	PRCP	19	40
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1	ZINC000852020518	EF	On-Demand	Anodyne	CCR1	78	47
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1	ZINC000852020518	EF	On-Demand	Anodyne	CPT1A	46	33
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1	ZINC000852020518	EF	On-Demand	Anodyne	EPHX2	15	42
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1	ZINC000852020518	EF	On-Demand	Anodyne	IMDH_CRYPV	18	40
O=C(NCCC1SCCS1)NCc1cccc([N+](=O)[O-])c1	ZINC000852020519	EF	On-Demand	Bother	CACNA1C	60	39
O=C(NCCC1SCCS1)NCc1cccc([N+](=O)[O-])c1	ZINC000852020519	EF	On-Demand	Bother	CACNA1D	93	39
O=C1CCCN1C[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020520	DC	On-Demand	Anodyne	CCR1	64	38
O=C1CCCN1C[C@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020521	DC	On-Demand	Anodyne	CCR1	64	38
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCCC1	ZINC000852020527	CD	On-Demand	Anodyne	DRD4	19	43
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCCC1	ZINC000852020527	CD	On-Demand	Anodyne	CCR1	83	41
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N[C@H]1CCOc2ccccc21	ZINC000852020528	FE	On-Demand	Anodyne	CCR1	42	35
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N[C@H]1CCOc2ccccc21	ZINC000852020528	FE	On-Demand	Anodyne	BDKRB1	24	47
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N[C@H]1CCOc2ccccc21	ZINC000852020528	FE	On-Demand	Anodyne	LUXR	62	41
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N[C@H]1CCOc2ccccc21	ZINC000852020528	FE	On-Demand	Anodyne	TRAR	73	40
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N[C@@H]1CCOc2ccccc21	ZINC000852020529	FE	On-Demand	Anodyne	CCR1	42	35
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N[C@@H]1CCOc2ccccc21	ZINC000852020529	FE	On-Demand	Anodyne	BDKRB1	24	47
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N[C@@H]1CCOc2ccccc21	ZINC000852020529	FE	On-Demand	Anodyne	LUXR	62	41
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N[C@@H]1CCOc2ccccc21	ZINC000852020529	FE	On-Demand	Anodyne	TRAR	73	40
COc1ccc2c(CN3CC(O)(c4ccc(Cl)cc4)C3)cc(=O)oc2c1	ZINC000852020530	FG	On-Demand	Anodyne	CYP19A1	15	50
COc1ccc2c(CN3CC(O)(c4ccc(Cl)cc4)C3)cc(=O)oc2c1	ZINC000852020530	FG	On-Demand	Anodyne	CYP11B1	18	44
COc1ccc2c(CN3CC(O)(c4ccc(Cl)cc4)C3)cc(=O)oc2c1	ZINC000852020530	FG	On-Demand	Anodyne	MAOB	36	41
COC(=O)N(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000852020533	DD	On-Demand	Bother	CACNA1C	64	41
COC(=O)N(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000852020533	DD	On-Demand	Bother	CACNA1D	98	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852020535	FF	On-Demand	Clean	DRD4	42	34
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852020535	FF	On-Demand	Clean	CACNA1C	61	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852020535	FF	On-Demand	Clean	CACNA1D	92	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852020535	FF	On-Demand	Clean	MTNR1A	19	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852020535	FF	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852020535	FF	On-Demand	Clean	MCHR1	15	46
NS(=O)(=O)CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020537	DC	On-Demand	Anodyne	CCR1	67	51
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020540	FF	On-Demand	Anodyne	CACNA1H	20	41
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020540	FF	On-Demand	Anodyne	PRCP	20	42
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020540	FF	On-Demand	Anodyne	CCR1	77	44
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020540	FF	On-Demand	Anodyne	UTS2	42	34
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020541	FF	On-Demand	Anodyne	CACNA1H	20	41
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020541	FF	On-Demand	Anodyne	PRCP	20	42
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020541	FF	On-Demand	Anodyne	CCR1	77	44
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852020541	FF	On-Demand	Anodyne	UTS2	42	34
Cc1ccc(OC[C@@H](C)NC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1	ZINC000852020543	FD	On-Demand	Anodyne	MMP13	23	40
Cc1ccc(OC[C@H](C)NC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1	ZINC000852020544	FD	On-Demand	Anodyne	MMP13	23	40
CS(=O)(=O)CC1(CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852020547	ED	On-Demand	Anodyne	CCR1	71	46
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCC1	ZINC000852020558	CE	On-Demand	Bother	CACNA1C	61	42
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCC1	ZINC000852020558	CE	On-Demand	Bother	CACNA1D	94	42
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCC1	ZINC000852020558	CE	On-Demand	Bother	LUXR	21	46
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1C=CCC1	ZINC000852020559	CE	On-Demand	Bother	CACNA1C	61	42
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1C=CCC1	ZINC000852020559	CE	On-Demand	Bother	CACNA1D	94	42
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1C=CCC1	ZINC000852020559	CE	On-Demand	Bother	LUXR	21	46
CN(C)S(=O)(=O)CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020572	ED	On-Demand	Anodyne	CCR1	76	48
N#Cc1cccc(S(=O)(=O)CCN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020577	GE	On-Demand	Mild	CCR1	50	45
COc1ccccc1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020580	EE	On-Demand	Anodyne	DRD2	18	44
COc1ccccc1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020580	EE	On-Demand	Anodyne	DRD4	28	44
COc1ccccc1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020580	EE	On-Demand	Anodyne	DRD3	22	44
COc1ccccc1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020580	EE	On-Demand	Anodyne	CCR1	70	40
COC(=O)/C(C)=C\CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020591	CD	On-Demand	Anodyne	CCR1	61	40
COC(=O)/C(C)=C/CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020592	CD	On-Demand	Anodyne	CCR1	61	40
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccc([N+](=O)[O-])c1	ZINC000852020597	FD	On-Demand	Bother	CACNA1C	47	40
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccc([N+](=O)[O-])c1	ZINC000852020597	FD	On-Demand	Bother	CACNA1D	75	40
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCOCC1	ZINC000852020598	DD	On-Demand	Anodyne	CCR1	45	36
Cc1ccc(OC[C@H](C)NC(=O)NCCc2ccc(C#N)cc2)cc1	ZINC000852020599	EG	On-Demand	Mild	PTGER3	18	41
Cc1ccc(OC[C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)cc1	ZINC000852020600	EG	On-Demand	Mild	PTGER3	18	41
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000852020601	GD	On-Demand	Reactive	CACNA1C	54	40
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000852020601	GD	On-Demand	Reactive	CACNA1D	89	40
COCCS(=O)(=O)CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020609	ED	On-Demand	Anodyne	CCR1	73	47
CC(C)n1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)n1	ZINC000852020615	DF	On-Demand	Anodyne	CCR1	58	36
OC1(c2ccc(Cl)cc2)CN(CC(F)(F)C(F)F)C1	ZINC000852020616	CF	On-Demand	Anodyne	CCR1	48	39
CNS(=O)(=O)CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020621	DC	On-Demand	Anodyne	CCR1	79	51
O=c1ccc([N+](=O)[O-])cn1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020622	ED	On-Demand	Bother	CCR1	59	42
OC1(CN2CC(O)(c3ccc(Cl)cc3)C2)CCCCC1	ZINC000852020625	CF	On-Demand	Anodyne	CCR1	56	40
CC(C)n1ccnc1CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020631	DF	On-Demand	Anodyne	CCR1	45	35
COC(=O)c1cccc(CN2CC(O)(c3ccc(Cl)cc3)C2)c1C#N	ZINC000852020636	FF	On-Demand	Mild	CCR1	46	39
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NNC(=O)c1cccs1	ZINC000852020638	FD	On-Demand	Reactive	CCR1	38	43
O=C1OCCN1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020639	CD	On-Demand	Anodyne	CCR1	56	40
C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020640	GH	On-Demand	Anodyne	CCR1	74	39
C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020641	GH	On-Demand	Anodyne	CCR1	74	39
C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020642	GH	On-Demand	Anodyne	CCR1	74	39
C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020643	GH	On-Demand	Anodyne	CCR1	74	39
CC(=O)N[C@H]1CCCN(C(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020644	FC	On-Demand	Anodyne	CCR1	68	37
CC(=O)N[C@@H]1CCCN(C(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020645	FC	On-Demand	Anodyne	CCR1	68	37
COCCN(CCF)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000852020646	CD	On-Demand	Bother	CACNA1C	61	41
COCCN(CCF)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000852020646	CD	On-Demand	Bother	CACNA1D	93	41
O=S1(=O)CCC(O)(CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852020650	EC	On-Demand	Anodyne	CCR1	64	40
CC(=O)NCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020660	CD	On-Demand	Anodyne	HTR1A	15	46
CC(=O)NCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020660	CD	On-Demand	Anodyne	DRD2	20	54
CC(=O)NCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020660	CD	On-Demand	Anodyne	DRD4	21	46
CC(=O)NCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020660	CD	On-Demand	Anodyne	HTR2A	21	46
CC(=O)NCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020660	CD	On-Demand	Anodyne	ADRA1A	24	46
CC(=O)NCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020660	CD	On-Demand	Anodyne	ADRA1B	19	46
CC(=O)NCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020660	CD	On-Demand	Anodyne	DRD3	31	46
CC(=O)NCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020660	CD	On-Demand	Anodyne	CCR1	89	52
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1F	ZINC000852020662	EG	On-Demand	Anodyne	CCR1	68	48
O=c1cc(CN2CC(O)(c3ccc(Cl)cc3)C2)occ1O	ZINC000852020665	DD	On-Demand	Anodyne	DAO	22	50
NC(=O)c1ccc(NC(=O)CCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020681	FD	On-Demand	Anodyne	CCR1	47	38
O=[N+]([O-])c1cccc([C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020683	EE	On-Demand	Bother	CCR1	30	55
O=[N+]([O-])c1cccc([C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020684	EE	On-Demand	Bother	CCR1	30	55
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000852020687	FE	On-Demand	Anodyne	CCR1	41	35
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCO[C@@H]2CCCC[C@H]21	ZINC000852020688	FE	On-Demand	Anodyne	CCR1	41	35
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCO[C@H]2CCCC[C@@H]21	ZINC000852020689	FE	On-Demand	Anodyne	CCR1	41	35
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCO[C@H]2CCCC[C@H]21	ZINC000852020690	FE	On-Demand	Anodyne	CCR1	41	35
COC(=O)N(C)CCNC(=O)NCCc1ccccc1Cl	ZINC000852020692	DD	On-Demand	Anodyne	MTNR1A	38	43
CCC(=O)NNC(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020699	EC	On-Demand	Reactive	CCR1	75	44
CCC(=O)NNC(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020700	EC	On-Demand	Reactive	CCR1	75	44
OC1(c2ccc(Cl)cc2)CN(C2CCCC2)C1	ZINC000852020706	CF	On-Demand	Anodyne	CCR1	42	44
C#CCN1CCN(C(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852020711	EC	On-Demand	Mild	CCR1	61	37
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCc1ccccn1	ZINC000852020725	ED	On-Demand	Anodyne	CCR1	56	40
COCCCS(=O)(=O)NCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020726	FC	On-Demand	Anodyne	CCR1	62	49
COC(=O)C1CCN(C(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852020727	GD	On-Demand	Anodyne	CCR1	93	44
COC(=O)C1CCN(C(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852020728	GD	On-Demand	Anodyne	CCR1	93	44
CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020733	GF	On-Demand	Anodyne	CCR1	49	39
CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020734	GF	On-Demand	Anodyne	CCR1	49	39
N#CCSCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020735	CE	On-Demand	Mild	CCR1	64	51
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)Nc1nc2c(s1)CCC2	ZINC000852020738	FE	On-Demand	Anodyne	SLC27A1	63	56
O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(N2CCOC2=O)CC1	ZINC000852020740	ED	On-Demand	Bother	CACNA1C	40	33
O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(N2CCOC2=O)CC1	ZINC000852020740	ED	On-Demand	Bother	CACNA1D	58	33
O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(N2CCOC2=O)CC1	ZINC000852020740	ED	On-Demand	Bother	LUXR	22	48
N#Cc1ccc([C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020741	EE	On-Demand	Mild	CCR1	38	45
N#Cc1ccc([C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020742	EE	On-Demand	Mild	CCR1	38	45
O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1c(F)cccc1F	ZINC000852020751	EF	On-Demand	Anodyne	CCR1	60	42
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1c(F)cccc1F	ZINC000852020752	EF	On-Demand	Anodyne	CCR1	60	42
CC(C)(C)C(=O)NNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020753	ED	On-Demand	Reactive	CCR1	58	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc([N+](=O)[O-])c2)O1	ZINC000852020756	FC	On-Demand	Reactive	CACNA1C	58	38
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc([N+](=O)[O-])c2)O1	ZINC000852020756	FC	On-Demand	Reactive	CACNA1D	91	38
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc([N+](=O)[O-])c2)O1	ZINC000852020757	FC	On-Demand	Reactive	CACNA1C	58	38
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc([N+](=O)[O-])c2)O1	ZINC000852020757	FC	On-Demand	Reactive	CACNA1D	91	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc([N+](=O)[O-])c1	ZINC000852020758	GF	On-Demand	Clean	CACNA1C	59	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc([N+](=O)[O-])c1	ZINC000852020758	GF	On-Demand	Clean	CACNA1D	92	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc([N+](=O)[O-])c1	ZINC000852020758	GF	On-Demand	Clean	MET	16	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc([N+](=O)[O-])c1	ZINC000852020758	GF	On-Demand	Clean	LUXR	16	42
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	ACHE	22	41
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	HTR4	42	43
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	LTA4H	18	40
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	SIGMAR1	20	47
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	SSTR5	41	35
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	CHEK2	16	40
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	CCR3	23	40
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	MCHR1	27	44
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020761	GG	On-Demand	Anodyne	CACNA1I	67	50
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	ACHE	22	41
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	HTR4	42	43
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	LTA4H	18	40
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	SIGMAR1	20	47
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	SSTR5	41	35
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	CHEK2	16	40
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	CCR3	23	40
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	MCHR1	27	44
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852020762	GG	On-Demand	Anodyne	CACNA1I	67	50
CNC(=O)[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020780	GD	On-Demand	Anodyne	CCR1	82	44
CNC(=O)[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020780	GD	On-Demand	Anodyne	UTS2	44	35
OC1(c2ccc(Cl)cc2)CN(CCc2nnnn2-c2ccccc2)C1	ZINC000852020782	FE	On-Demand	Anodyne	CCR1	45	39
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc([N+](=O)[O-])c1	ZINC000852020783	FD	On-Demand	Bother	CACNA1C	47	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc([N+](=O)[O-])c1	ZINC000852020783	FD	On-Demand	Bother	CACNA1D	77	40
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc([N+](=O)[O-])c1	ZINC000852020784	FD	On-Demand	Bother	CACNA1C	47	40
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc([N+](=O)[O-])c1	ZINC000852020784	FD	On-Demand	Bother	CACNA1D	77	40
C[C@H](c1nc(-c2cccs2)no1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020789	FH	On-Demand	Anodyne	ETHR	24	40
COc1ccc(CC[C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020792	GG	On-Demand	Anodyne	ADRB2	26	47
COc1ccc(CC[C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020792	GG	On-Demand	Anodyne	ADRB1	28	44
COc1ccc(CC[C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020792	GG	On-Demand	Anodyne	ADRB3	33	44
COc1ccc(CC[C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020793	GG	On-Demand	Anodyne	ADRB2	26	47
COc1ccc(CC[C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020793	GG	On-Demand	Anodyne	ADRB1	28	44
COc1ccc(CC[C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020793	GG	On-Demand	Anodyne	ADRB3	33	44
COc1ccc(CC[C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020794	GG	On-Demand	Anodyne	ADRB2	26	47
COc1ccc(CC[C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020794	GG	On-Demand	Anodyne	ADRB1	28	44
COc1ccc(CC[C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020794	GG	On-Demand	Anodyne	ADRB3	33	44
COc1ccc(CC[C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020795	GG	On-Demand	Anodyne	ADRB2	26	47
COc1ccc(CC[C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020795	GG	On-Demand	Anodyne	ADRB1	28	44
COc1ccc(CC[C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852020795	GG	On-Demand	Anodyne	ADRB3	33	44
N#Cc1cccc(CNC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020796	FE	On-Demand	Mild	CCR1	50	38
N#Cc1cccc(CNC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020796	FE	On-Demand	Mild	MCHR1	31	42
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCC[C@@H](C(F)(F)F)C1	ZINC000852020800	GF	On-Demand	Anodyne	CCR1	63	37
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCC[C@H](C(F)(F)F)C1	ZINC000852020801	GF	On-Demand	Anodyne	CCR1	63	37
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC[C@@H]1Cc2ccccc2O1	ZINC000852020802	FD	On-Demand	Anodyne	CCR1	42	36
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC[C@H]1Cc2ccccc2O1	ZINC000852020803	FD	On-Demand	Anodyne	CCR1	42	36
OC1(c2ccc(Cl)cc2)CN(CCN2CCCC2)C1	ZINC000852020804	CD	On-Demand	Anodyne	DRD4	21	46
OC1(c2ccc(Cl)cc2)CN(CCN2CCCC2)C1	ZINC000852020804	CD	On-Demand	Anodyne	DRD3	17	46
OC1(c2ccc(Cl)cc2)CN(CCN2CCCC2)C1	ZINC000852020804	CD	On-Demand	Anodyne	SIGMAR1	15	44
OC1(c2ccc(Cl)cc2)CN(CCN2CCCC2)C1	ZINC000852020804	CD	On-Demand	Anodyne	CCR1	84	48
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1Cl	ZINC000852020811	FH	On-Demand	Anodyne	KCNQ2	20	41
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1Cl	ZINC000852020811	FH	On-Demand	Anodyne	CCR1	73	44
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)N1CCc2sccc2C1	ZINC000852020812	GF	On-Demand	Anodyne	CCR1	54	39
Cc1ccc(OC[C@H](C)NC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852020817	FG	On-Demand	Anodyne	SCN2A	18	43
Cc1ccc(OC[C@H](C)NC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852020817	FG	On-Demand	Anodyne	SCN10A	25	43
Cc1ccc(OC[C@@H](C)NC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852020818	FG	On-Demand	Anodyne	SCN2A	18	43
Cc1ccc(OC[C@@H](C)NC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852020818	FG	On-Demand	Anodyne	SCN10A	25	43
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852020819	GE	On-Demand	Anodyne	DRD4	22	44
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852020819	GE	On-Demand	Anodyne	CCR1	45	40
COc1ccc(CC[C@@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020820	DE	On-Demand	Anodyne	ANPEP	23	51
COc1ccc(CC[C@@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020820	DE	On-Demand	Anodyne	PTAFR	15	41
COc1ccc(CC[C@@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020820	DE	On-Demand	Anodyne	BMP1	50	37
COc1ccc(CC[C@@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020820	DE	On-Demand	Anodyne	MTNR1A	39	41
COc1ccc(CC[C@@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020820	DE	On-Demand	Anodyne	MMP3	26	40
COc1ccc(CC[C@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020821	DE	On-Demand	Anodyne	ANPEP	23	51
COc1ccc(CC[C@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020821	DE	On-Demand	Anodyne	PTAFR	15	41
COc1ccc(CC[C@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020821	DE	On-Demand	Anodyne	BMP1	50	37
COc1ccc(CC[C@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020821	DE	On-Demand	Anodyne	MTNR1A	39	41
COc1ccc(CC[C@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852020821	DE	On-Demand	Anodyne	MMP3	26	40
O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000852020831	GC	On-Demand	Reactive	CACNA1C	50	37
O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000852020831	GC	On-Demand	Reactive	CACNA1D	80	37
COc1ccc(CC[C@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852020835	GF	On-Demand	Anodyne	MMP13	21	42
COc1ccc(CC[C@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852020835	GF	On-Demand	Anodyne	BIRC2	33	42
COc1ccc(CC[C@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852020835	GF	On-Demand	Anodyne	PSMB8	44	32
COc1ccc(CC[C@@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852020836	GF	On-Demand	Anodyne	MMP13	21	42
COc1ccc(CC[C@@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852020836	GF	On-Demand	Anodyne	BIRC2	33	42
COc1ccc(CC[C@@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852020836	GF	On-Demand	Anodyne	PSMB8	44	32
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)NCc1cccc([N+](=O)[O-])c1)C2	ZINC000852020838	GF	On-Demand	Bother	CACNA1C	65	39
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)NCc1cccc([N+](=O)[O-])c1)C2	ZINC000852020838	GF	On-Demand	Bother	CACNA1D	96	39
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC(=O)NC1CCCC1	ZINC000852020839	FD	On-Demand	Anodyne	CCR1	60	45
Cn1nc(C(C)(C)C)cc1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020845	GF	On-Demand	Anodyne	MAPK14	17	44
Cn1nc(C(C)(C)C)cc1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020845	GF	On-Demand	Anodyne	CCR1	47	41
COc1ccc(CC[C@@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852020851	FE	On-Demand	Anodyne	MMP13	21	42
COc1ccc(CC[C@@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852020851	FE	On-Demand	Anodyne	BIRC2	33	42
COc1ccc(CC[C@@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852020851	FE	On-Demand	Anodyne	PSMB8	44	32
COc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852020852	FE	On-Demand	Anodyne	MMP13	21	42
COc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852020852	FE	On-Demand	Anodyne	BIRC2	33	42
COc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852020852	FE	On-Demand	Anodyne	PSMB8	44	32
COc1ccc(CC[C@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852020853	FE	On-Demand	Anodyne	MMP13	21	42
COc1ccc(CC[C@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852020853	FE	On-Demand	Anodyne	BIRC2	33	42
COc1ccc(CC[C@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852020853	FE	On-Demand	Anodyne	PSMB8	44	32
COc1ccc(CC[C@@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852020854	FE	On-Demand	Anodyne	MMP13	21	42
COc1ccc(CC[C@@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852020854	FE	On-Demand	Anodyne	BIRC2	33	42
COc1ccc(CC[C@@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852020854	FE	On-Demand	Anodyne	PSMB8	44	32
O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852020863	ED	On-Demand	Bother	CACNA1D	59	33
O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852020863	ED	On-Demand	Bother	NPSR1	25	41
O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852020863	ED	On-Demand	Bother	LUXR	22	47
O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852020864	ED	On-Demand	Bother	CACNA1D	59	33
O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852020864	ED	On-Demand	Bother	NPSR1	25	41
O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852020864	ED	On-Demand	Bother	LUXR	22	47
COc1ccc(-c2cnc(CN3CC(O)(c4ccc(Cl)cc4)C3)o2)cc1	ZINC000852020865	FH	On-Demand	Anodyne	CCR1	18	43
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1C(F)(F)F	ZINC000852020866	GH	On-Demand	Anodyne	CCR1	55	52
O=S1(=O)CC[C@@H](CCN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020868	ED	On-Demand	Anodyne	CCR1	52	37
O=S1(=O)CC[C@H](CCN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020869	ED	On-Demand	Anodyne	CCR1	52	37
CCCS(=O)(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020875	DD	On-Demand	Anodyne	CCR1	66	44
CCN(C)C(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020876	CD	On-Demand	Anodyne	CCR1	61	39
O=[S@](CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020877	EF	On-Demand	Anodyne	DRD4	17	44
O=[S@](CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020877	EF	On-Demand	Anodyne	CCR1	70	46
O=[S@@](CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020878	EF	On-Demand	Anodyne	DRD4	17	44
O=[S@@](CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852020878	EF	On-Demand	Anodyne	CCR1	70	46
O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852020882	EE	On-Demand	Bother	CACNA1C	47	35
O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852020882	EE	On-Demand	Bother	CACNA1D	77	35
O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852020882	EE	On-Demand	Bother	LUXR	17	43
NC(=O)NC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020884	CC	On-Demand	Anodyne	CCR1	73	44
CNC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020888	CC	On-Demand	Anodyne	CCR1	81	43
COC(=O)C1(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CCCCC1	ZINC000852020900	GD	On-Demand	Anodyne	CCR1	54	40
Cc1c(NC(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-]	ZINC000852020904	GG	On-Demand	Bother	COLA	39	40
Cc1c(NC(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-]	ZINC000852020905	GG	On-Demand	Bother	COLA	39	40
COC(=O)CNC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020906	EC	On-Demand	Anodyne	CCR1	64	42
O[C@@H](CN1CCCC1)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020907	DD	On-Demand	Anodyne	CCR1	79	44
O[C@H](CN1CCCC1)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020908	DD	On-Demand	Anodyne	CCR1	79	44
CCOCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020910	CE	On-Demand	Anodyne	CCR1	60	43
COc1ccc(CC[C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852020919	GF	On-Demand	Anodyne	CTSK	15	43
COc1ccc(CC[C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852020919	GF	On-Demand	Anodyne	CTSL	18	43
COc1ccc(CC[C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852020920	GF	On-Demand	Anodyne	CTSK	15	43
COc1ccc(CC[C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852020920	GF	On-Demand	Anodyne	CTSL	18	43
COc1ccc(CC[C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852020921	GF	On-Demand	Anodyne	CTSK	15	43
COc1ccc(CC[C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852020921	GF	On-Demand	Anodyne	CTSL	18	43
COc1ccc(CC[C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852020922	GF	On-Demand	Anodyne	CTSK	15	43
COc1ccc(CC[C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852020922	GF	On-Demand	Anodyne	CTSL	18	43
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NOCc1ccccc1	ZINC000852020927	EE	On-Demand	Anodyne	CCR1	61	46
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(CCC2)C1	ZINC000852020928	DE	On-Demand	Bother	CACNA1C	54	39
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(CCC2)C1	ZINC000852020928	DE	On-Demand	Bother	CACNA1D	84	39
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(CCC2)C1	ZINC000852020928	DE	On-Demand	Bother	LUXR	16	43
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(CCC2)C1	ZINC000852020929	DE	On-Demand	Bother	CACNA1C	54	39
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(CCC2)C1	ZINC000852020929	DE	On-Demand	Bother	CACNA1D	84	39
O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(CCC2)C1	ZINC000852020929	DE	On-Demand	Bother	LUXR	16	43
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCC1CCC1	ZINC000852020934	DD	On-Demand	Anodyne	CCR1	58	43
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCC1CCC1	ZINC000852020934	DD	On-Demand	Anodyne	CACNA1I	61	38
O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1	ZINC000852020937	EF	On-Demand	Anodyne	CCR1	33	40
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)c(F)c1	ZINC000852020938	EF	On-Demand	Anodyne	CCR1	33	40
CC[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020939	CD	On-Demand	Anodyne	CCR1	63	39
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020949	FC	On-Demand	Anodyne	AVPR1A	35	41
C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020949	FC	On-Demand	Anodyne	CCR1	48	37
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020950	FC	On-Demand	Anodyne	AVPR1A	35	41
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020950	FC	On-Demand	Anodyne	CCR1	48	37
N#CCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020955	CC	On-Demand	Mild	CCR1	70	43
COC(=O)[C@@H](c1ccccc1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020957	EF	On-Demand	Anodyne	OPRL1	31	52
COC(=O)[C@@H](c1ccccc1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020957	EF	On-Demand	Anodyne	NPY2R	30	43
COC(=O)[C@@H](c1ccccc1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020957	EF	On-Demand	Anodyne	CCR1	80	44
O=C(NCCc1ccccc1Cl)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852020958	GG	On-Demand	Clean	RPA1	45	36
O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1F	ZINC000852020960	EF	On-Demand	Anodyne	CCR1	31	41
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1F	ZINC000852020961	EF	On-Demand	Anodyne	CCR1	31	41
CCOCCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020964	DC	On-Demand	Anodyne	CCR1	43	39
Cc1cccc(C(=O)NNC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020965	FD	On-Demand	Reactive	DRD4	43	36
Cc1cccc(C(=O)NNC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020965	FD	On-Demand	Reactive	CCR1	50	42
Cc1cccc(C(=O)NNC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020965	FD	On-Demand	Reactive	UTS2	40	38
Cc1cccc(C(=O)NNC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020965	FD	On-Demand	Reactive	KCNK3	55	45
Cc1cccc(C(=O)NNC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852020965	FD	On-Demand	Reactive	KCNK9	43	40
Oc1nc(CCN2CC(O)(c3ccc(Cl)cc3)C2)nc2ccccc12	ZINC000852020966	FF	On-Demand	Anodyne	CCR1	44	40
CN(Cc1cnn(C)c1)C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020968	ED	On-Demand	Anodyne	PLA2G7	57	43
CN(Cc1cnn(C)c1)C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020968	ED	On-Demand	Anodyne	CCR1	44	34
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)COc2ccc(C)cc2)C1	ZINC000852020969	DF	On-Demand	Anodyne	ACACB	17	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)COc2ccc(C)cc2)C1	ZINC000852020970	DF	On-Demand	Anodyne	ACACB	17	40
CS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020979	GE	On-Demand	Anodyne	PTGS2	16	40
CS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020979	GE	On-Demand	Anodyne	LTA4H	22	43
CS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852020979	GE	On-Demand	Anodyne	CCR1	42	48
O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1cc(F)ccc1F	ZINC000852020981	EF	On-Demand	Anodyne	CCR1	31	41
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1cc(F)ccc1F	ZINC000852020982	EF	On-Demand	Anodyne	CCR1	31	41
CS(=O)(=O)N1CCC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020990	FD	On-Demand	Anodyne	CCR1	54	45
CS(=O)(=O)N1CCC[C@H](CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852020990	FD	On-Demand	Anodyne	Q8MHZ5_SHEEP	40	33
O=C1OCC[C@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020993	CD	On-Demand	Anodyne	CCR1	45	37
O=C1OCC[C@@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852020994	CD	On-Demand	Anodyne	CCR1	45	37
C#C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852020995	DD	On-Demand	Mild	CACNA1C	52	36
C#C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852020995	DD	On-Demand	Mild	CACNA1D	83	36
C#C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852020995	DD	On-Demand	Mild	LUXR	17	43
C#C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852020996	DD	On-Demand	Mild	CACNA1C	52	36
C#C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852020996	DD	On-Demand	Mild	CACNA1D	83	36
C#C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852020996	DD	On-Demand	Mild	LUXR	17	43
OC1(c2ccc(Cl)cc2)CN(CCn2ccnc2)C1	ZINC000852020997	CD	On-Demand	Anodyne	CYP19A1	17	48
OC1(c2ccc(Cl)cc2)CN(CCn2ccnc2)C1	ZINC000852020997	CD	On-Demand	Anodyne	CYP11B1	19	48
OC1(c2ccc(Cl)cc2)CN(CCn2ccnc2)C1	ZINC000852020997	CD	On-Demand	Anodyne	TBXAS1	42	43
OC1(c2ccc(Cl)cc2)CN(CCn2ccnc2)C1	ZINC000852020997	CD	On-Demand	Anodyne	HMOX1	71	41
OC1(c2ccc(Cl)cc2)CN(CCn2ccnc2)C1	ZINC000852020997	CD	On-Demand	Anodyne	HMOX2	48	35
COc1ccc(CC[C@@H](C)NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1	ZINC000852021003	FG	On-Demand	Anodyne	PSMB8	45	34
COc1ccc(CC[C@H](C)NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1	ZINC000852021004	FG	On-Demand	Anodyne	PSMB8	45	34
N#Cc1ccccc1NC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021010	FF	On-Demand	Mild	CCR1	64	43
O=C1CCCN1CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021015	DD	On-Demand	Anodyne	CCR1	68	45
COCCCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021016	CF	On-Demand	Anodyne	DRD4	15	45
COCCCCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021016	CF	On-Demand	Anodyne	CCR1	70	44
OC1(c2ccc(Cl)cc2)CN(CCC2OCCCO2)C1	ZINC000852021024	CD	On-Demand	Anodyne	CCR1	44	38
OC1(c2ccc(Cl)cc2)CN(CCc2nc(-c3ccccc3)no2)C1	ZINC000852021025	FG	On-Demand	Anodyne	CCR1	45	39
Cc1nc(CN2CC(O)(c3ccc(Cl)cc3)C2)nc2ccccc12	ZINC000852021030	EG	On-Demand	Anodyne	DRD4	17	43
Cc1nc(CN2CC(O)(c3ccc(Cl)cc3)C2)nc2ccccc12	ZINC000852021030	EG	On-Demand	Anodyne	CCR1	45	38
N#Cc1cccc(NC(=O)CCN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852021034	FF	On-Demand	Mild	CCR1	54	39
N#Cc1cccc(NC(=O)CCN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852021034	FF	On-Demand	Mild	CCR3	15	46
N#Cc1cccc(NC(=O)CCN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852021034	FF	On-Demand	Mild	MCHR1	54	44
OC1(c2ccc(Cl)cc2)CN(CCN2CCOCC2)C1	ZINC000852021035	CD	On-Demand	Anodyne	DRD4	23	44
OC1(c2ccc(Cl)cc2)CN(CCN2CCOCC2)C1	ZINC000852021035	CD	On-Demand	Anodyne	CCR1	72	46
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N(C)C	ZINC000852021041	EC	On-Demand	Anodyne	CCR1	78	43
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N(C)C	ZINC000852021041	EC	On-Demand	Anodyne	UTS2	44	36
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N(C)C	ZINC000852021042	EC	On-Demand	Anodyne	CCR1	78	43
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N(C)C	ZINC000852021042	EC	On-Demand	Anodyne	UTS2	44	36
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCCC1	ZINC000852021043	DE	On-Demand	Anodyne	CNR1	15	40
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCCC1	ZINC000852021043	DE	On-Demand	Anodyne	SIGMAR1	15	44
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCCC1	ZINC000852021043	DE	On-Demand	Anodyne	CCR1	76	42
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)Nc1cccnc1Cl	ZINC000852021046	FF	On-Demand	Anodyne	CCR1	42	36
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)Nc1cccnc1Cl	ZINC000852021046	FF	On-Demand	Anodyne	G2YM83_BOTF4	68	33
C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021049	FC	On-Demand	Anodyne	CCR1	72	42
C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021050	FC	On-Demand	Anodyne	CCR1	72	42
C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021051	FC	On-Demand	Anodyne	CCR1	72	42
C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021052	FC	On-Demand	Anodyne	CCR1	72	42
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCc2[nH]c3ccccc3c2C1	ZINC000852021053	GF	On-Demand	Anodyne	CCR1	48	39
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCc2[nH]c3ccccc3c2C1	ZINC000852021053	GF	On-Demand	Anodyne	GRIN2D	46	30
O=C1CCC2=C(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)N1	ZINC000852021054	ED	On-Demand	Bother	CACNA1C	45	35
O=C1CCC2=C(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)N1	ZINC000852021054	ED	On-Demand	Bother	CACNA1D	72	35
COc1ccc(CC[C@H](C)NC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852021055	CG	On-Demand	Anodyne	BIRC2	15	41
COc1ccc(CC[C@@H](C)NC(=O)N[C@H]2C=CCC2)cc1	ZINC000852021056	CG	On-Demand	Anodyne	BIRC2	15	41
COc1ccc(CC[C@@H](C)NC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852021057	CG	On-Demand	Anodyne	BIRC2	15	41
COc1ccc(CC[C@H](C)NC(=O)N[C@H]2C=CCC2)cc1	ZINC000852021058	CG	On-Demand	Anodyne	BIRC2	15	41
O=c1n(CCN2CC(O)(c3ccc(Cl)cc3)C2)nc2ccccn12	ZINC000852021059	ED	On-Demand	Anodyne	CCR1	44	37
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021070	GD	On-Demand	Anodyne	MC4R	53	37
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021070	GD	On-Demand	Anodyne	CCR1	91	46
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021071	GD	On-Demand	Anodyne	MC4R	53	37
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021071	GD	On-Demand	Anodyne	CCR1	91	46
COC(=O)c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1F	ZINC000852021081	EF	On-Demand	Anodyne	CCR1	53	36
O=C1OCCN1CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021085	DD	On-Demand	Anodyne	CCR1	57	44
Cc1c(F)cccc1NC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021086	FG	On-Demand	Anodyne	CCR1	56	40
OC1(c2ccc(Cl)cc2)CN(CCOCC2CC2)C1	ZINC000852021087	CE	On-Demand	Anodyne	CCR1	50	39
COC(=O)CN(C)C(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021088	EC	On-Demand	Anodyne	CCR1	57	41
COC(=O)N(C)CCNC(=O)N[C@H](C)CCc1ccc(OC)cc1	ZINC000852021094	EE	On-Demand	Anodyne	BMP1	60	37
COC(=O)N(C)CCNC(=O)N[C@H](C)CCc1ccc(OC)cc1	ZINC000852021094	EE	On-Demand	Anodyne	NQO2	15	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CCc1ccc(OC)cc1	ZINC000852021094	EE	On-Demand	Anodyne	MTNR1A	37	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CCc1ccc(OC)cc1	ZINC000852021094	EE	On-Demand	Anodyne	MMP3	18	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CCc1ccc(OC)cc1	ZINC000852021094	EE	On-Demand	Anodyne	MMP1	21	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1	ZINC000852021095	EE	On-Demand	Anodyne	BMP1	60	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1	ZINC000852021095	EE	On-Demand	Anodyne	NQO2	15	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1	ZINC000852021095	EE	On-Demand	Anodyne	MTNR1A	37	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1	ZINC000852021095	EE	On-Demand	Anodyne	MMP3	18	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCc1ccc(OC)cc1	ZINC000852021095	EE	On-Demand	Anodyne	MMP1	21	40
Cc1n[nH]c(C)c1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021103	ED	On-Demand	Anodyne	CCR1	41	42
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC(=O)NC1CC1	ZINC000852021104	DC	On-Demand	Anodyne	CCR1	68	42
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC(=O)NC1CC1	ZINC000852021104	DC	On-Demand	Anodyne	EPHX2	17	40
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCC(c2ccccc2)=N1	ZINC000852021110	FE	On-Demand	Anodyne	CCR1	54	40
CCN1CCC(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021111	FD	On-Demand	Anodyne	DRD4	20	40
CCN1CCC(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021111	FD	On-Demand	Anodyne	SIGMAR1	21	47
CCN1CCC(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021111	FD	On-Demand	Anodyne	CCR1	92	40
CCOC(=O)N1CCC(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021140	GD	On-Demand	Anodyne	SIGMAR1	16	42
CCOC(=O)N1CCC(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021140	GD	On-Demand	Anodyne	CCR1	85	45
CCOC(=O)N1CCC(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021140	GD	On-Demand	Anodyne	EPHX2	21	43
CCOC(=O)N1CCC(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021140	GD	On-Demand	Anodyne	CCR8	28	40
CCOC(=O)C1CCN(C(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021150	GD	On-Demand	Anodyne	FDFT1	23	44
CCOC(=O)C1CCN(C(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852021150	GD	On-Demand	Anodyne	CCR1	70	38
O[C@@H](CN1CCOCC1)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021175	EC	On-Demand	Anodyne	CCR1	63	42
O[C@H](CN1CCOCC1)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021176	EC	On-Demand	Anodyne	CCR1	63	42
O=[N+]([O-])c1ccc(Br)c2c1CN([C@@H]1CCCC[C@H]1O)CC2	ZINC000852021180	FG	On-Demand	Bother	SLC18A3	35	48
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	OPRM1	26	42
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	OPRD1	18	42
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	MME	58	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	MC4R	75	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	CMA1	35	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	FCER2	45	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	CCR1	84	46
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	TIMP3	41	36
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	ACE2	56	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	BLA1_STEMA	43	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	UTS2	55	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021181	GE	On-Demand	Anodyne	PSMB8	50	41
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	OPRM1	26	42
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	OPRD1	18	42
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	MME	58	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	MC4R	75	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	CMA1	35	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	FCER2	45	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	CCR1	84	46
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	TIMP3	41	36
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	ACE2	56	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	BLA1_STEMA	43	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	UTS2	55	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021182	GE	On-Demand	Anodyne	PSMB8	50	41
COCCCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021193	DC	On-Demand	Anodyne	CCR1	56	42
COc1ccc(CC[C@@H](C)NC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852021198	GD	On-Demand	Reactive	BIRC2	23	40
COc1ccc(CC[C@H](C)NC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852021199	GD	On-Demand	Reactive	BIRC2	23	40
COc1ccc(CC[C@@H](C)NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852021216	EG	On-Demand	Anodyne	BIRC2	17	41
COc1ccc(CC[C@@H](C)NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852021216	EG	On-Demand	Anodyne	PSMB8	45	32
COc1ccc(CC[C@H](C)NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852021217	EG	On-Demand	Anodyne	BIRC2	17	41
COc1ccc(CC[C@H](C)NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852021217	EG	On-Demand	Anodyne	PSMB8	45	32
COc1ccc(CC[C@H](C)NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852021218	EG	On-Demand	Anodyne	BIRC2	17	41
COc1ccc(CC[C@H](C)NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852021218	EG	On-Demand	Anodyne	PSMB8	45	32
COc1ccc(CC[C@@H](C)NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852021219	EG	On-Demand	Anodyne	BIRC2	17	41
COc1ccc(CC[C@@H](C)NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852021219	EG	On-Demand	Anodyne	PSMB8	45	32
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852021223	GE	On-Demand	Anodyne	FDFT1	22	44
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852021223	GE	On-Demand	Anodyne	CCR1	78	39
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852021224	GE	On-Demand	Anodyne	FDFT1	22	44
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852021224	GE	On-Demand	Anodyne	CCR1	78	39
O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)Nc1c(Cl)cccc1Cl	ZINC000852021231	GI	On-Demand	Anodyne	CCR1	71	47
O=C(NCc1cccc([N+](=O)[O-])c1)NCC1SCCS1	ZINC000852021232	DE	On-Demand	Bother	CACNA1C	62	40
O=C(NCc1cccc([N+](=O)[O-])c1)NCC1SCCS1	ZINC000852021232	DE	On-Demand	Bother	CACNA1D	96	40
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N1CCCCC1	ZINC000852021241	GD	On-Demand	Anodyne	MC4R	50	36
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N1CCCCC1	ZINC000852021241	GD	On-Demand	Anodyne	CCR1	110	49
C[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N1CCCCC1	ZINC000852021241	GD	On-Demand	Anodyne	DPP7	52	42
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N1CCCCC1	ZINC000852021242	GD	On-Demand	Anodyne	MC4R	50	36
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N1CCCCC1	ZINC000852021242	GD	On-Demand	Anodyne	CCR1	110	49
C[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)N1CCCCC1	ZINC000852021242	GD	On-Demand	Anodyne	DPP7	52	42
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccco2)CC1	ZINC000852021243	GD	On-Demand	Anodyne	DRD4	21	40
OC1(CN2CC(O)(c3ccc(Cl)cc3)C2)CCOCC1	ZINC000852021266	CD	On-Demand	Anodyne	CCR1	50	39
O=S1(=O)CCCN1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021269	EC	On-Demand	Anodyne	CCR1	72	41
CS(=O)(=O)c1ccc([C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852021272	GD	On-Demand	Anodyne	CCR1	47	43
CS(=O)(=O)c1ccc([C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852021273	GD	On-Demand	Anodyne	CCR1	47	43
Cc1cnc(CN2CC(O)(c3ccc(Cl)cc3)C2)nc1	ZINC000852021279	CE	On-Demand	Anodyne	CCR1	37	44
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCN(C2CC2)CC1	ZINC000852021285	FD	On-Demand	Anodyne	SIGMAR1	17	45
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCN(C2CC2)CC1	ZINC000852021285	FD	On-Demand	Anodyne	CCR1	61	40
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852021323	ED	On-Demand	Anodyne	EPHX2	22	43
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852021326	ED	On-Demand	Anodyne	EPHX2	22	43
CN1CCCC[C@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021341	DF	On-Demand	Anodyne	HRH1	18	45
CN1CCCC[C@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021341	DF	On-Demand	Anodyne	CCR1	69	42
CN1CCCC[C@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021341	DF	On-Demand	Anodyne	CHRNA10	48	44
CN1CCCC[C@@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021342	DF	On-Demand	Anodyne	HRH1	18	45
CN1CCCC[C@@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021342	DF	On-Demand	Anodyne	CCR1	69	42
CN1CCCC[C@@H]1CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021342	DF	On-Demand	Anodyne	CHRNA10	48	44
Cc1ccc(OC[C@H](C)NC(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1	ZINC000852021343	FG	On-Demand	Anodyne	CCR3	42	38
Cc1ccc(OC[C@@H](C)NC(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1	ZINC000852021344	FG	On-Demand	Anodyne	CCR3	42	38
Cc1ccc(OC[C@@H](C)NC(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1	ZINC000852021345	FG	On-Demand	Anodyne	CCR3	42	38
Cc1ccc(OC[C@H](C)NC(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1	ZINC000852021346	FG	On-Demand	Anodyne	CCR3	42	38
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCCCN1CCCC1=O	ZINC000852021355	FC	On-Demand	Anodyne	CCR1	60	43
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCCCN1CCCC1=O	ZINC000852021355	FC	On-Demand	Anodyne	TYRO3	18	40
O[C@H](CN1CCCN(c2ccc(F)c(F)c2)CC1)c1ccccn1	ZINC000852021356	EF	On-Demand	Anodyne	DRD4	29	40
O[C@@H](CN1CCCN(c2ccc(F)c(F)c2)CC1)c1ccccn1	ZINC000852021357	EF	On-Demand	Anodyne	DRD4	29	40
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCCCC1	ZINC000852021382	DE	On-Demand	Anodyne	CNR1	25	48
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCCCC1	ZINC000852021382	DE	On-Demand	Anodyne	SIGMAR1	15	47
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCCCC1	ZINC000852021382	DE	On-Demand	Anodyne	CCR1	61	40
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC1CCCCC1	ZINC000852021382	DE	On-Demand	Anodyne	EPHX2	19	46
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCN(CC(F)(F)F)CC1	ZINC000852021383	GD	On-Demand	Anodyne	HPGDS	37	41
O=C(NCC[S@@](=O)CC(F)(F)F)NC1CCN(CC(F)(F)F)CC1	ZINC000852021384	GD	On-Demand	Anodyne	HPGDS	37	41
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1N1CCCC1=O	ZINC000852021418	GF	On-Demand	Anodyne	KCNQ2	51	45
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccccc1N1CCCC1=O	ZINC000852021418	GF	On-Demand	Anodyne	CCR1	52	37
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCNC1=O	ZINC000852021430	DC	On-Demand	Anodyne	DRD4	17	42
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)N1CCNC1=O	ZINC000852021430	DC	On-Demand	Anodyne	CCR1	56	37
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)Nc1ccc2c(c1)OCCO2	ZINC000852021431	FE	On-Demand	Anodyne	IMDH_CRYPV	17	41
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852021442	FG	On-Demand	Anodyne	HTR4	42	39
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852021442	FG	On-Demand	Anodyne	CCR3	20	40
Cc1ccc(OC[C@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852021442	FG	On-Demand	Anodyne	CACNA1I	67	43
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852021443	FG	On-Demand	Anodyne	HTR4	42	39
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852021443	FG	On-Demand	Anodyne	CCR3	20	40
Cc1ccc(OC[C@@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852021443	FG	On-Demand	Anodyne	CACNA1I	67	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021444	FG	On-Demand	Clean	SLC6A3	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021444	FG	On-Demand	Clean	EDNRA	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021444	FG	On-Demand	Clean	CCR3	31	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021444	FG	On-Demand	Clean	CCR5	58	34
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021444	FG	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021444	FG	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021444	FG	On-Demand	Clean	EPHX2	23	54
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021445	FG	On-Demand	Clean	SLC6A3	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021445	FG	On-Demand	Clean	EDNRA	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021445	FG	On-Demand	Clean	CCR3	31	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021445	FG	On-Demand	Clean	CCR5	58	34
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021445	FG	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021445	FG	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021445	FG	On-Demand	Clean	EPHX2	23	54
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021446	FG	On-Demand	Clean	SLC6A3	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021446	FG	On-Demand	Clean	EDNRA	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021446	FG	On-Demand	Clean	CCR3	31	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021446	FG	On-Demand	Clean	CCR5	58	34
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021446	FG	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021446	FG	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852021446	FG	On-Demand	Clean	EPHX2	23	54
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021447	FG	On-Demand	Clean	SLC6A3	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021447	FG	On-Demand	Clean	EDNRA	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021447	FG	On-Demand	Clean	CCR3	31	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021447	FG	On-Demand	Clean	CCR5	58	34
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021447	FG	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021447	FG	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852021447	FG	On-Demand	Clean	EPHX2	23	54
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852021457	GF	On-Demand	Anodyne	EPHX2	25	46
C[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852021458	GF	On-Demand	Anodyne	EPHX2	25	46
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852021459	GF	On-Demand	Anodyne	EPHX2	25	46
C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852021460	GF	On-Demand	Anodyne	EPHX2	25	46
Fc1ccc(N2CCCN(CCOC(F)F)CC2)cc1F	ZINC000852021468	DF	On-Demand	Anodyne	DRD4	19	48
Fc1ccc(N2CCCN(CCOC(F)F)CC2)cc1F	ZINC000852021468	DF	On-Demand	Anodyne	SLC6A3	25	40
O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852021493	DF	On-Demand	Anodyne	CCR1	36	48
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1	ZINC000852021494	DF	On-Demand	Anodyne	CCR1	36	48
COCCCNC(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021556	ED	On-Demand	Anodyne	CCR1	59	39
COCCCNC(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021557	ED	On-Demand	Anodyne	CCR1	59	39
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)N1	ZINC000852021564	EE	On-Demand	Anodyne	EPHX2	19	45
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)C2)N1	ZINC000852021565	EE	On-Demand	Anodyne	EPHX2	19	45
O=C1CCC2=C(CCN(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)C2)N1	ZINC000852021566	EE	On-Demand	Anodyne	EPHX2	19	45
O=C1CCC2=C(CCN(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)C2)N1	ZINC000852021567	EE	On-Demand	Anodyne	EPHX2	19	45
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021568	GD	On-Demand	Anodyne	FKBP1A	49	38
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021568	GD	On-Demand	Anodyne	CCR1	45	38
C#CCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021578	CC	On-Demand	Mild	CCR1	70	39
Cc1ccc(OC[C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852021579	GG	On-Demand	Anodyne	ADRB2	15	42
Cc1ccc(OC[C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852021580	GG	On-Demand	Anodyne	ADRB2	15	42
Cc1ccc(OC[C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852021582	GG	On-Demand	Anodyne	ADRB2	15	42
Cc1ccc(OC[C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852021583	GG	On-Demand	Anodyne	ADRB2	15	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021584	DB	On-Demand	Anodyne	CHRM2	20	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021584	DB	On-Demand	Anodyne	CHRM1	23	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021584	DB	On-Demand	Anodyne	CHRM5	15	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021584	DB	On-Demand	Anodyne	CHRM3	33	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021584	DB	On-Demand	Anodyne	CYP2J2	54	38
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021586	DB	On-Demand	Anodyne	CHRM2	20	42
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021586	DB	On-Demand	Anodyne	CHRM1	23	42
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021586	DB	On-Demand	Anodyne	CHRM5	15	42
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021586	DB	On-Demand	Anodyne	CHRM3	33	42
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]21	ZINC000852021586	DB	On-Demand	Anodyne	CYP2J2	54	38
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021588	DB	On-Demand	Anodyne	CHRM2	20	42
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021588	DB	On-Demand	Anodyne	CHRM1	23	42
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021588	DB	On-Demand	Anodyne	CHRM5	15	42
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021588	DB	On-Demand	Anodyne	CHRM3	33	42
CN1CCO[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021588	DB	On-Demand	Anodyne	CYP2J2	54	38
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021590	DB	On-Demand	Anodyne	CHRM2	20	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021590	DB	On-Demand	Anodyne	CHRM1	23	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021590	DB	On-Demand	Anodyne	CHRM5	15	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021590	DB	On-Demand	Anodyne	CHRM3	33	42
CN1CCO[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852021590	DB	On-Demand	Anodyne	CYP2J2	54	38
C[C@H]1CCCCN1C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021629	DE	On-Demand	Anodyne	DRD4	18	46
C[C@H]1CCCCN1C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021629	DE	On-Demand	Anodyne	CCR1	70	37
O=C(NCCN1Cc2ccccc2C1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852021651	GE	On-Demand	Anodyne	PLD2	44	35
O=C(NCCc1ccoc1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021662	EG	On-Demand	Anodyne	EPHX2	19	52
CCOC(=O)C1=C(CN2CC(O)(c3ccc(Cl)cc3)C2)NC(=O)N[C@@H]1C	ZINC000852021710	GD	On-Demand	Anodyne	SLC27A4	40	35
CCOC(=O)C1=C(CN2CC(O)(c3ccc(Cl)cc3)C2)NC(=O)N[C@H]1C	ZINC000852021711	GD	On-Demand	Anodyne	SLC27A4	40	35
Cc1ccc(OC[C@@H](C)NC(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)cc1	ZINC000852021725	FE	On-Demand	Anodyne	MCHR1	22	42
Cc1ccc(OC[C@H](C)NC(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)cc1	ZINC000852021726	FE	On-Demand	Anodyne	MCHR1	22	42
Cc1ccc(OC[C@@H](C)NC(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1	ZINC000852021727	FE	On-Demand	Anodyne	MCHR1	22	42
Cc1ccc(OC[C@H](C)NC(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1	ZINC000852021728	FE	On-Demand	Anodyne	MCHR1	22	42
OC1(c2ccc(Cl)cc2)CN(C[C@@H]2CC2(Cl)Cl)C1	ZINC000852021729	DG	On-Demand	Anodyne	CCR1	42	38
OC1(c2ccc(Cl)cc2)CN(C[C@H]2CC2(Cl)Cl)C1	ZINC000852021730	DG	On-Demand	Anodyne	CCR1	42	38
CCOP(=O)(OCC)[C@H](O)CN1CCc2ccc(Br)cc2C1	ZINC000852021732	GG	On-Demand	Anodyne	ADAM9	41	31
CCOP(=O)(OCC)[C@@H](O)CN1CCc2ccc(Br)cc2C1	ZINC000852021733	GG	On-Demand	Anodyne	ADAM9	41	31
NC(=O)[C@](O)(CN1CCCN(c2ccc(F)c(F)c2)CC1)c1ccccc1	ZINC000852021750	GD	On-Demand	Anodyne	HTR1A	17	40
NC(=O)[C@@](O)(CN1CCCN(c2ccc(F)c(F)c2)CC1)c1ccccc1	ZINC000852021751	GD	On-Demand	Anodyne	HTR1A	17	40
CCCNC(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852021779	CD	On-Demand	Anodyne	CCR1	69	43
O=C(NCCc1ccc2ccccc2n1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852021785	FE	On-Demand	Anodyne	SMO	45	41
O=C(NCCc1ccc2ccccc2n1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852021786	FE	On-Demand	Anodyne	SMO	45	41
O=C(NCc1ncccn1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021790	EE	On-Demand	Anodyne	EPHX2	31	45
O=C(NNC(=O)c1cccc(F)n1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021858	GE	On-Demand	Reactive	CCR3	28	40
O=C(NNC(=O)c1cccc(F)n1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021858	GE	On-Demand	Reactive	EPHX2	19	43
O=C(NCCN1Cc2ccccc2C1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852021866	GE	On-Demand	Clean	HTR1A	25	43
O=C(NCCN1Cc2ccccc2C1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852021866	GE	On-Demand	Clean	DRD2	17	43
O=C(NCCc1noc2ccccc12)NC1CCN(CC2CCCCC2)CC1	ZINC000852021890	GH	On-Demand	Anodyne	EPHX2	15	46
O=C(NCc1cccnc1N1CCCC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021891	GH	On-Demand	Anodyne	SIGMAR1	21	40
O=C(NCc1cccnc1N1CCCC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021891	GH	On-Demand	Anodyne	CCR3	20	43
O=C(NCc1cccnc1N1CCCC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021891	GH	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021891	GH	On-Demand	Anodyne	EPHX2	30	47
O=C(NCc1cccnc1N1CCCC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852021891	GH	On-Demand	Anodyne	SCN10A	19	44
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	HTR1A	41	42
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	DRD2	45	42
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	DRD4	51	41
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	HTR2A	21	42
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	DRD3	63	41
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	HTR7	40	37
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	SIGMAR1	21	42
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	MTNR1A	33	47
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	MTNR1B	33	47
COc1ccc(N2CC[C@H](NC(=O)NCCN3Cc4ccccc4C3)C2)cc1	ZINC000852021904	GF	On-Demand	Clean	MCHR1	21	45
COC(=O)c1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852021924	GE	On-Demand	Anodyne	ACOX1	44	31
COC(=O)c1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852021924	GE	On-Demand	Anodyne	CCR1	72	37
COC(=O)c1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852021924	GE	On-Demand	Anodyne	ABCB1	46	42
COC(=O)c1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852021925	GE	On-Demand	Anodyne	ACOX1	44	31
COC(=O)c1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852021925	GE	On-Demand	Anodyne	CCR1	72	37
COC(=O)c1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852021925	GE	On-Demand	Anodyne	ABCB1	46	42
CS(=O)(=O)c1cccc(NC(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852021931	GD	On-Demand	Anodyne	CCR1	44	44
Cc1ccncc1CCNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852021942	FG	On-Demand	Anodyne	SSTR5	40	38
Cc1ccncc1CCNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852021942	FG	On-Demand	Anodyne	EPHX2	23	43
C#CCOCCN1CCC=C(c2ccccc2)C1	ZINC000852021947	BE	On-Demand	Mild	SLC6A1	19	42
C[C@@]1(CNC(=O)NC2CCN(CC3CCCCC3)CC2)CC1(F)F	ZINC000852021963	EG	On-Demand	Anodyne	EPHX2	33	41
C[C@@]1(CNC(=O)NC2CCN(CC3CCCCC3)CC2)CC1(F)F	ZINC000852021963	EG	On-Demand	Anodyne	CXCR3	17	44
O=C(NCCc1ccc2ccccc2n1)NCCS(=O)(=O)CC(F)(F)F	ZINC000852021986	GE	On-Demand	Anodyne	CYSLTR1	36	40
NS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022007	GD	On-Demand	Anodyne	CA2	19	53
NS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022007	GD	On-Demand	Anodyne	LTA4H	23	43
NS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022007	GD	On-Demand	Anodyne	CA1	20	53
NS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022007	GD	On-Demand	Anodyne	CA7	28	44
NS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022007	GD	On-Demand	Anodyne	CCR1	37	46
NS(=O)(=O)c1ccc(OCCN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022007	GD	On-Demand	Anodyne	CA9	23	53
O[C@@H]1CCCC[C@H]1N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022011	CE	On-Demand	Anodyne	SLC18A3	36	73
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022021	GH	On-Demand	Anodyne	DRD2	35	43
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022021	GH	On-Demand	Anodyne	DRD4	31	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022021	GH	On-Demand	Anodyne	DRD3	28	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022021	GH	On-Demand	Anodyne	HTR4	32	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022021	GH	On-Demand	Anodyne	SIGMAR1	35	45
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022021	GH	On-Demand	Anodyne	CCR3	38	45
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022021	GH	On-Demand	Anodyne	EPHX2	39	45
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022021	GH	On-Demand	Anodyne	CCR8	15	43
CCCCNC(=O)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022025	ED	On-Demand	Anodyne	CCR1	49	41
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	CHRM2	15	40
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	DRD2	17	48
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	DRD4	35	44
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	ACHE	33	45
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	HRH2	18	42
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	SLC6A1	45	33
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	HTR4	24	41
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	CHRM3	15	40
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	SIGMAR1	43	48
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	CCR3	50	55
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	BIRC2	24	40
O=C(NCc1ncccn1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852022045	EE	On-Demand	Anodyne	NPFFR1	40	36
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	CHRM2	15	40
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	DRD2	17	48
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	DRD4	35	44
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	ACHE	33	45
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	HRH2	18	42
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	SLC6A1	45	33
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	HTR4	24	41
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	CHRM3	15	40
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	SIGMAR1	43	48
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	CCR3	50	55
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	BIRC2	24	40
O=C(NCc1ncccn1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852022046	EE	On-Demand	Anodyne	NPFFR1	40	36
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852022047	FF	On-Demand	Anodyne	DRD4	23	41
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852022047	FF	On-Demand	Anodyne	SIGMAR1	35	46
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852022047	FF	On-Demand	Anodyne	CCR3	39	46
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852022050	FF	On-Demand	Anodyne	DRD4	23	41
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852022050	FF	On-Demand	Anodyne	SIGMAR1	35	46
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852022050	FF	On-Demand	Anodyne	CCR3	39	46
C#CCOCCN[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022063	CD	On-Demand	Mild	MME	41	37
C#CCOCCN[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022063	CD	On-Demand	Mild	PAPA1_CARPA	46	37
C#CCOCCN[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022063	CD	On-Demand	Mild	CAPNS1	47	32
C#CCOCCN[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022063	CD	On-Demand	Mild	HLA-DRB1	48	34
C#CCOCCN[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022063	CD	On-Demand	Mild	CAPN2	45	31
C#CCOCCN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022065	CD	On-Demand	Mild	MME	41	37
C#CCOCCN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022065	CD	On-Demand	Mild	PAPA1_CARPA	46	37
C#CCOCCN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022065	CD	On-Demand	Mild	CAPNS1	47	32
C#CCOCCN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022065	CD	On-Demand	Mild	HLA-DRB1	48	34
C#CCOCCN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC	ZINC000852022065	CD	On-Demand	Mild	CAPN2	45	31
C#CCOCCN[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022066	CD	On-Demand	Mild	MME	41	37
C#CCOCCN[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022066	CD	On-Demand	Mild	PAPA1_CARPA	46	37
C#CCOCCN[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022066	CD	On-Demand	Mild	CAPNS1	47	32
C#CCOCCN[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022066	CD	On-Demand	Mild	HLA-DRB1	48	34
C#CCOCCN[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022066	CD	On-Demand	Mild	CAPN2	45	31
C#CCOCCN[C@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022068	CD	On-Demand	Mild	MME	41	37
C#CCOCCN[C@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022068	CD	On-Demand	Mild	PAPA1_CARPA	46	37
C#CCOCCN[C@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022068	CD	On-Demand	Mild	CAPNS1	47	32
C#CCOCCN[C@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022068	CD	On-Demand	Mild	HLA-DRB1	48	34
C#CCOCCN[C@H](C)[C@H](Cc1ccccc1)C(=O)OC	ZINC000852022068	CD	On-Demand	Mild	CAPN2	45	31
COC(=O)N(C)CCNC(=O)NCCOc1ccc(Br)cc1	ZINC000852022070	FD	On-Demand	Anodyne	SHC	34	40
COC(=O)N(C)CCNC(=O)NCCOc1ccc(Br)cc1	ZINC000852022070	FD	On-Demand	Anodyne	LSS	34	42
O=C(NCc1ncccn1)NC1CCN(CC(F)(F)F)CC1	ZINC000852022078	DD	On-Demand	Anodyne	HPGDS	45	49
O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852022095	FG	On-Demand	Anodyne	DRD2	16	41
O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852022095	FG	On-Demand	Anodyne	SIGMAR1	22	45
O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852022096	FG	On-Demand	Anodyne	DRD2	16	41
O=C(NC[C@H]1CCCCN1Cc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852022096	FG	On-Demand	Anodyne	SIGMAR1	22	45
CCO[C@@H]1C[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000852022099	GD	On-Demand	Clean	HTR1A	45	47
CCO[C@@H]1C[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000852022099	GD	On-Demand	Clean	DRD2	36	40
CCO[C@@H]1C[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000852022099	GD	On-Demand	Clean	DRD4	56	47
CCO[C@@H]1C[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000852022099	GD	On-Demand	Clean	HTR2A	22	42
CCO[C@@H]1C[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000852022099	GD	On-Demand	Clean	DRD3	56	42
CCO[C@@H]1C[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1	ZINC000852022099	GD	On-Demand	Clean	HTR7	38	42
Cc1ccc(OC[C@@H](C)NC(=O)NCCC2SCCS2)cc1	ZINC000852022112	EG	On-Demand	Anodyne	ADRB1	17	42
Cc1ccc(OC[C@H](C)NC(=O)NCCC2SCCS2)cc1	ZINC000852022114	EG	On-Demand	Anodyne	ADRB1	17	42
Cc1nc(CN(CCNC(=O)OC(C)(C)C)CCc2ccccc2)c(C)o1	ZINC000852022152	FH	On-Demand	Anodyne	PPARG	20	41
Cc1nc(CN(CCNC(=O)OC(C)(C)C)CCc2ccccc2)c(C)o1	ZINC000852022152	FH	On-Demand	Anodyne	PPARA	26	41
COC[C@@H](C)NC(=O)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022157	FC	On-Demand	Anodyne	CCR1	58	40
COC[C@H](C)NC(=O)NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022159	FC	On-Demand	Anodyne	CCR1	58	40
CCCCCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022170	DE	On-Demand	Anodyne	CCR1	59	43
CCCCCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022170	DE	On-Demand	Anodyne	ASAH1	88	34
O=C(NC1CCN(CC2CCCCC2)CC1)N[C@H]1C=CCC1	ZINC000852022185	DG	On-Demand	Anodyne	EPHX2	25	41
O=C(NC1CCN(CC2CCCCC2)CC1)N[C@@H]1C=CCC1	ZINC000852022186	DG	On-Demand	Anodyne	EPHX2	25	41
Cc1ccc(OC[C@@H](C)NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc1	ZINC000852022212	GE	On-Demand	Anodyne	PDS	41	32
Cc1ccc(OC[C@H](C)NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc1	ZINC000852022213	GE	On-Demand	Anodyne	PDS	41	32
CC(=O)Nc1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022233	GE	On-Demand	Anodyne	ADRB1	32	48
CC(=O)Nc1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022233	GE	On-Demand	Anodyne	ADRB3	20	42
CC(=O)Nc1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022233	GE	On-Demand	Anodyne	ACOX1	60	37
CC(=O)Nc1ccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022233	GE	On-Demand	Anodyne	CCR1	73	40
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022234	GE	On-Demand	Anodyne	ADRB1	32	48
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022234	GE	On-Demand	Anodyne	ADRB3	20	42
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022234	GE	On-Demand	Anodyne	ACOX1	60	37
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852022234	GE	On-Demand	Anodyne	CCR1	73	40
CCOCCCNC(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022252	ED	On-Demand	Anodyne	CCR1	57	36
CCOCCCNC(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022253	ED	On-Demand	Anodyne	CCR1	57	36
N#CCCN(C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852022276	FF	On-Demand	Mild	CCR1	53	42
CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852022290	GD	On-Demand	Anodyne	FDFT1	26	44
CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)C1	ZINC000852022290	GD	On-Demand	Anodyne	CCR1	51	36
N#CCCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022293	BD	On-Demand	Mild	CCR1	58	46
C#CCOCCN1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000852022300	CE	On-Demand	Mild	HTR1A	15	48
C#CCOCCN1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000852022300	CE	On-Demand	Mild	DRD4	15	48
CCOC(=O)CCCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022301	FD	On-Demand	Anodyne	CCR1	42	41
CC(C)(C)N1CC[C@H](NC(=O)NC2CCN(CC3CCCCC3)CC2)C1	ZINC000852022318	FG	On-Demand	Anodyne	EPHX2	28	44
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCN(CC3CCCCC3)CC2)C1	ZINC000852022319	FG	On-Demand	Anodyne	EPHX2	28	44
O=C(CN1CCC(CC(F)(F)F)CC1)Nc1ccc(Cl)nc1	ZINC000852022353	EG	On-Demand	Anodyne	CACNA1I	46	35
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4ccccc4n3)C2)cc1	ZINC000852022381	GG	On-Demand	Clean	MTNR1A	48	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4ccccc4n3)C2)cc1	ZINC000852022381	GG	On-Demand	Clean	MTNR1B	40	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4ccccc4n3)C2)cc1	ZINC000852022381	GG	On-Demand	Clean	MCHR1	15	51
C#CCOCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852022408	DE	On-Demand	Mild	HTR1A	44	47
C#CCOCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852022408	DE	On-Demand	Mild	DRD2	25	45
C#CCOCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852022408	DE	On-Demand	Mild	HTR2A	27	45
C#CCOCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852022408	DE	On-Demand	Mild	DRD3	24	41
C#CCOCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852022408	DE	On-Demand	Mild	HTR7	36	48
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852022422	DF	On-Demand	Anodyne	DRD4	30	45
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852022422	DF	On-Demand	Anodyne	SIGMAR1	37	50
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852022422	DF	On-Demand	Anodyne	CCR3	56	49
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852022423	DF	On-Demand	Anodyne	DRD4	30	45
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852022423	DF	On-Demand	Anodyne	SIGMAR1	37	50
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852022423	DF	On-Demand	Anodyne	CCR3	56	49
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852022435	GE	On-Demand	Reactive	DRD4	26	45
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852022435	GE	On-Demand	Reactive	ACHE	23	41
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852022435	GE	On-Demand	Reactive	SIGMAR1	25	48
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852022435	GE	On-Demand	Reactive	CCR3	81	40
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(C#N)cc1	ZINC000852022436	GG	On-Demand	Mild	GPR119	25	50
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1ccc(C#N)cc1	ZINC000852022437	GG	On-Demand	Mild	GPR119	25	50
O=C(NCC1SCCS1)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852022441	FG	On-Demand	Anodyne	DRD2	34	47
O=C(NCC1SCCS1)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852022441	FG	On-Demand	Anodyne	SIGMAR1	29	50
O=C(NCC1SCCS1)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852022442	FG	On-Demand	Anodyne	DRD2	34	47
O=C(NCC1SCCS1)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852022442	FG	On-Demand	Anodyne	SIGMAR1	29	50
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022468	FD	On-Demand	Anodyne	MME	58	40
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022468	FD	On-Demand	Anodyne	ANPEP	54	33
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022468	FD	On-Demand	Anodyne	FCER2	48	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022468	FD	On-Demand	Anodyne	CAPNS1	52	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022468	FD	On-Demand	Anodyne	HLA-DRB1	45	33
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022468	FD	On-Demand	Anodyne	CAPN1	40	35
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022468	FD	On-Demand	Anodyne	FPR1	42	35
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022469	FD	On-Demand	Anodyne	MME	58	40
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022469	FD	On-Demand	Anodyne	ANPEP	54	33
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022469	FD	On-Demand	Anodyne	FCER2	48	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022469	FD	On-Demand	Anodyne	CAPNS1	52	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022469	FD	On-Demand	Anodyne	HLA-DRB1	45	33
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022469	FD	On-Demand	Anodyne	CAPN1	40	35
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022469	FD	On-Demand	Anodyne	FPR1	42	35
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022470	FD	On-Demand	Anodyne	MME	58	40
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022470	FD	On-Demand	Anodyne	ANPEP	54	33
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022470	FD	On-Demand	Anodyne	FCER2	48	34
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022470	FD	On-Demand	Anodyne	CAPNS1	52	34
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022470	FD	On-Demand	Anodyne	HLA-DRB1	45	33
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022470	FD	On-Demand	Anodyne	CAPN1	40	35
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852022470	FD	On-Demand	Anodyne	FPR1	42	35
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022471	FD	On-Demand	Anodyne	MME	58	40
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022471	FD	On-Demand	Anodyne	ANPEP	54	33
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022471	FD	On-Demand	Anodyne	FCER2	48	34
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022471	FD	On-Demand	Anodyne	CAPNS1	52	34
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022471	FD	On-Demand	Anodyne	HLA-DRB1	45	33
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022471	FD	On-Demand	Anodyne	CAPN1	40	35
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852022471	FD	On-Demand	Anodyne	FPR1	42	35
O=C(NCc1ccccc1OCCN1CCOCC1)N[C@H]1COC2(CCC2)C1	ZINC000852022479	GD	On-Demand	Anodyne	EPHX2	25	41
O=C(NCc1ccccc1OCCN1CCOCC1)N[C@@H]1COC2(CCC2)C1	ZINC000852022480	GD	On-Demand	Anodyne	EPHX2	25	41
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@@H]1CC[C@H](OC)C1	ZINC000852022491	DF	On-Demand	Anodyne	MME	43	36
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@@H]1CC[C@H](OC)C1	ZINC000852022491	DF	On-Demand	Anodyne	TIMP3	70	38
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@H]1CC[C@@H](OC)C1	ZINC000852022492	DF	On-Demand	Anodyne	MME	43	36
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@H]1CC[C@@H](OC)C1	ZINC000852022492	DF	On-Demand	Anodyne	TIMP3	70	38
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@H]1CC[C@H](OC)C1	ZINC000852022493	DF	On-Demand	Anodyne	MME	43	36
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@H]1CC[C@H](OC)C1	ZINC000852022493	DF	On-Demand	Anodyne	TIMP3	70	38
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@@H]1CC[C@@H](OC)C1	ZINC000852022494	DF	On-Demand	Anodyne	MME	43	36
COC(=O)[C@H](Cc1ccccc1)[C@H](C)N[C@@H]1CC[C@@H](OC)C1	ZINC000852022494	DF	On-Demand	Anodyne	TIMP3	70	38
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCC1CCC1	ZINC000852022499	EG	On-Demand	Anodyne	GPR119	41	40
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCC1CCC1	ZINC000852022500	EG	On-Demand	Anodyne	GPR119	41	40
O=C(NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)N[C@H]1C[C@H]1c1cccc(F)c1	ZINC000852022528	GD	On-Demand	Reactive	CCR5	65	33
O=C(NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)N[C@@H]1C[C@@H]1c1cccc(F)c1	ZINC000852022529	GD	On-Demand	Reactive	CCR5	65	33
O=C(NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)N[C@H]1C[C@@H]1c1cccc(F)c1	ZINC000852022530	GD	On-Demand	Reactive	CCR5	65	33
O=C(NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)N[C@@H]1C[C@H]1c1cccc(F)c1	ZINC000852022531	GD	On-Demand	Reactive	CCR5	65	33
CCOc1ccccc1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022536	FF	On-Demand	Anodyne	CCR1	66	38
CCOc1ccccc1NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022536	FF	On-Demand	Anodyne	HCN1	47	32
CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852022545	GE	On-Demand	Anodyne	MC4R	17	40
CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852022545	GE	On-Demand	Anodyne	FDFT1	19	42
CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852022545	GE	On-Demand	Anodyne	CCR1	84	41
CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852022546	GE	On-Demand	Anodyne	MC4R	17	40
CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852022546	GE	On-Demand	Anodyne	FDFT1	19	42
CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)CC1	ZINC000852022546	GE	On-Demand	Anodyne	CCR1	84	41
O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1F	ZINC000852022547	DF	On-Demand	Anodyne	CCR1	55	49
O[C@H](CN1CC(O)(c2ccc(Cl)cc2)C1)c1ccccc1F	ZINC000852022548	DF	On-Demand	Anodyne	CCR1	55	49
O=C(c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1)N1CCCC1	ZINC000852022553	FG	On-Demand	Anodyne	DRD4	25	44
O=C(c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1)N1CCCC1	ZINC000852022553	FG	On-Demand	Anodyne	HRH3	15	48
O=C(c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1)N1CCCC1	ZINC000852022553	FG	On-Demand	Anodyne	CCR1	68	38
O=C(c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1)N1CCCC1	ZINC000852022553	FG	On-Demand	Anodyne	LSS	21	53
O=C(c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1)N1CCCC1	ZINC000852022553	FG	On-Demand	Anodyne	CXCR3	24	43
O=C(c1ccc(CN2CC(O)(c3ccc(Cl)cc3)C2)cc1)N1CCCC1	ZINC000852022553	FG	On-Demand	Anodyne	L3MBTL3	63	49
O=S(=O)(CCN1CC(O)(c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1	ZINC000852022562	GF	On-Demand	Anodyne	CCR1	62	52
C[C@H](C(=O)N1CCCCC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022563	DE	On-Demand	Anodyne	CCR1	98	48
C[C@H](C(=O)N1CCCCC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022563	DE	On-Demand	Anodyne	DPP7	51	43
C[C@@H](C(=O)N1CCCCC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022564	DE	On-Demand	Anodyne	CCR1	98	48
C[C@@H](C(=O)N1CCCCC1)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022564	DE	On-Demand	Anodyne	DPP7	51	43
C=CCN(CC=C)C(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022581	EE	On-Demand	Mild	CCR1	42	36
C=CCN(CC=C)C(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022582	EE	On-Demand	Mild	CCR1	42	36
Fc1cccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)n1	ZINC000852022595	DG	On-Demand	Anodyne	DRD4	35	40
C=CCNC(=O)NC(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022602	ED	On-Demand	Mild	CCR1	45	36
C=CCNC(=O)NC(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022603	ED	On-Demand	Mild	CCR1	45	36
CC(=O)c1cccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852022604	GE	On-Demand	Anodyne	ACOX1	62	34
CC(=O)c1cccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852022604	GE	On-Demand	Anodyne	CCR1	60	36
CC(=O)c1cccc(OC[C@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852022604	GE	On-Demand	Anodyne	ABCB1	59	57
CC(=O)c1cccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852022605	GE	On-Demand	Anodyne	ACOX1	62	34
CC(=O)c1cccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852022605	GE	On-Demand	Anodyne	CCR1	60	36
CC(=O)c1cccc(OC[C@@H](O)CN2CC(O)(c3ccc(Cl)cc3)C2)c1	ZINC000852022605	GE	On-Demand	Anodyne	ABCB1	59	57
C=CCOCCCNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022624	EF	On-Demand	Mild	HRH2	15	46
CO[C@@H]1CC[C@@H](N2CCN(C)[C@@H](Cc3ccccc3)C2)C1	ZINC000852022625	CE	On-Demand	Anodyne	SLC18A2	16	42
CO[C@@H]1CC[C@@H](N2CCN(C)[C@H](Cc3ccccc3)C2)C1	ZINC000852022626	CE	On-Demand	Anodyne	SLC18A2	16	42
O=C(NCCO[C@H]1CC1(F)F)NC1CCN(CC2CCCCC2)CC1	ZINC000852022643	FF	On-Demand	Anodyne	EPHX2	15	41
O=C(NCCO[C@@H]1CC1(F)F)NC1CCN(CC2CCCCC2)CC1	ZINC000852022644	FF	On-Demand	Anodyne	EPHX2	15	41
O=C(NC1CCN(CC2CCCCC2)CC1)N1CCC(c2ccon2)CC1	ZINC000852022655	FH	On-Demand	Anodyne	SMO	31	45
O=C(NCCN1Cc2ccccc2C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852022665	ED	On-Demand	Anodyne	PLD1	56	38
O=C(NCCN1Cc2ccccc2C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852022665	ED	On-Demand	Anodyne	PLD2	47	38
O=C(NCCN1Cc2ccccc2C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852022666	ED	On-Demand	Anodyne	PLD1	56	38
O=C(NCCN1Cc2ccccc2C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852022666	ED	On-Demand	Anodyne	PLD2	47	38
FC(F)OCCN1CCC=C(c2ccccc2)C1	ZINC000852022670	CG	On-Demand	Anodyne	SLC6A1	15	41
FC(F)OCCN1CCC=C(c2ccccc2)C1	ZINC000852022670	CG	On-Demand	Anodyne	SLC6A3	25	42
O=C(NCCc1ccnc2ccccc12)NC1CCN(CC2CCCCC2)CC1	ZINC000852022680	GI	On-Demand	Anodyne	CCR3	15	42
O=C(NCCc1ccnc2ccccc12)NC1CCN(CC2CCCCC2)CC1	ZINC000852022680	GI	On-Demand	Anodyne	HNMT	50	38
O=C(NCCc1ccnc2ccccc12)NC1CCN(CC2CCCCC2)CC1	ZINC000852022680	GI	On-Demand	Anodyne	EPHX2	20	49
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)C2)N1	ZINC000852022776	GE	On-Demand	Anodyne	SIGMAR1	20	46
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)C2)N1	ZINC000852022776	GE	On-Demand	Anodyne	CCR3	24	44
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)C2)N1	ZINC000852022777	GE	On-Demand	Anodyne	SIGMAR1	20	46
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)C2)N1	ZINC000852022777	GE	On-Demand	Anodyne	CCR3	24	44
COCCN(CCF)C(=O)NC1CCN(CC(F)(F)F)CC1	ZINC000852022789	ED	On-Demand	Anodyne	HPGDS	37	41
COc1ccc(NC(=O)[C@H](C)N2CC(O)(c3ccc(Cl)cc3)C2)c(OC)c1	ZINC000852022811	GF	On-Demand	Anodyne	CCR1	52	38
Cc1ccc(OC[C@H](C)NC(=O)N2CCc3nccnc3C2)cc1	ZINC000852022824	EE	On-Demand	Anodyne	MAPK1	50	38
Cc1ccc(OC[C@@H](C)NC(=O)N2CCc3nccnc3C2)cc1	ZINC000852022825	EE	On-Demand	Anodyne	MAPK1	50	38
CC[C@H](C)NC(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022828	DE	On-Demand	Anodyne	CCR1	98	47
CC[C@H](C)NC(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022829	DE	On-Demand	Anodyne	CCR1	98	47
O=C(CN1CCCN(c2ccc(F)c(F)c2)CC1)Nc1ccc(Cl)nc1	ZINC000852022843	GG	On-Demand	Anodyne	DRD4	23	47
O=C(CN1CCCN(c2ccc(F)c(F)c2)CC1)Nc1ccc(Cl)nc1	ZINC000852022843	GG	On-Demand	Anodyne	IKBKB	45	33
O=C(CN1CCCN(c2ccc(F)c(F)c2)CC1)Nc1ccc(Cl)nc1	ZINC000852022843	GG	On-Demand	Anodyne	SLC27A1	63	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1cccc(F)c1	ZINC000852022855	GG	On-Demand	Clean	CCR5	58	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1cccc(F)c1	ZINC000852022855	GG	On-Demand	Clean	EPHX2	17	50
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H]1c1cccc(F)c1	ZINC000852022856	GG	On-Demand	Clean	CCR5	58	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H]1c1cccc(F)c1	ZINC000852022856	GG	On-Demand	Clean	EPHX2	17	50
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@@H]1c1cccc(F)c1	ZINC000852022857	GG	On-Demand	Clean	CCR5	58	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@@H]1c1cccc(F)c1	ZINC000852022857	GG	On-Demand	Clean	EPHX2	17	50
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@H]1c1cccc(F)c1	ZINC000852022858	GG	On-Demand	Clean	CCR5	58	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@H]1c1cccc(F)c1	ZINC000852022858	GG	On-Demand	Clean	EPHX2	17	50
CCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852022899	CC	On-Demand	Anodyne	CCR1	69	41
O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852022901	EE	On-Demand	Anodyne	EPHX2	25	46
O=C(N[C@H]1C[C@H]1c1cccc(F)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852022902	EE	On-Demand	Anodyne	EPHX2	25	46
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852022904	EE	On-Demand	Anodyne	EPHX2	25	46
OC1(c2ccc(Cl)cc2)CN(CCc2ccccn2)C1	ZINC000852022907	CE	On-Demand	Anodyne	DRD4	17	40
OC1(c2ccc(Cl)cc2)CN(CCc2ccccn2)C1	ZINC000852022907	CE	On-Demand	Anodyne	CCR1	57	44
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	HTR1A	34	41
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	DRD2	43	43
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	DRD3	42	43
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	HTR4	45	45
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	SIGMAR1	36	46
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	CCR3	34	43
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	EPHX2	40	41
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	CXCR3	16	43
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	MCHR1	17	51
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	HCN1	53	32
COc1cccc(OC)c1CNC(=O)NC1CCN(CC2CCCCC2)CC1	ZINC000852022933	GH	On-Demand	Anodyne	HCN4	51	34
O[C@@H](CN1CCN(c2cccc(Br)c2)CC1)c1ccccn1	ZINC000852022934	FF	On-Demand	Anodyne	HTR1A	17	41
O[C@@H](CN1CCN(c2cccc(Br)c2)CC1)c1ccccn1	ZINC000852022934	FF	On-Demand	Anodyne	DRD4	26	41
O[C@H](CN1CCN(c2cccc(Br)c2)CC1)c1ccccn1	ZINC000852022935	FF	On-Demand	Anodyne	HTR1A	17	41
O[C@H](CN1CCN(c2cccc(Br)c2)CC1)c1ccccn1	ZINC000852022935	FF	On-Demand	Anodyne	DRD4	26	41
COC1CC(CCNC(=O)NC2CCN(CC3CCCCC3)CC2)C1	ZINC000852022936	FG	On-Demand	Anodyne	EPHX2	16	45
O=C1CC[C@@H](CN2CCN(c3cccc(Br)c3)CC2)O1	ZINC000852022946	EE	On-Demand	Anodyne	HTR1A	23	47
O=C1CC[C@H](CN2CCN(c3cccc(Br)c3)CC2)O1	ZINC000852022947	EE	On-Demand	Anodyne	HTR1A	23	47
NC(=O)[C@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022948	EE	On-Demand	Anodyne	CHRM2	22	41
NC(=O)[C@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022948	EE	On-Demand	Anodyne	CHRM1	25	41
NC(=O)[C@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022948	EE	On-Demand	Anodyne	CHRM3	39	42
NC(=O)[C@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022948	EE	On-Demand	Anodyne	SIGMAR1	16	40
NC(=O)[C@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022948	EE	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022949	EE	On-Demand	Anodyne	CHRM2	22	41
NC(=O)[C@@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022949	EE	On-Demand	Anodyne	CHRM1	25	41
NC(=O)[C@@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022949	EE	On-Demand	Anodyne	CHRM3	39	42
NC(=O)[C@@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022949	EE	On-Demand	Anodyne	SIGMAR1	16	40
NC(=O)[C@@](O)(CN1CCC(CC(F)(F)F)CC1)c1ccccc1	ZINC000852022949	EE	On-Demand	Anodyne	CYP2J2	48	34
CCOc1ccc([C@@H](COC)NC[C@@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852022957	FD	On-Demand	Anodyne	PDS	47	33
CCOc1ccc([C@@H](COC)NC[C@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852022958	FD	On-Demand	Anodyne	PDS	47	33
COCCN(CCF)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852022974	GD	On-Demand	Clean	HTR1A	47	52
COCCN(CCF)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852022974	GD	On-Demand	Clean	DRD2	44	43
COCCN(CCF)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852022974	GD	On-Demand	Clean	DRD4	60	50
COCCN(CCF)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852022974	GD	On-Demand	Clean	HTR2A	30	45
COCCN(CCF)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852022974	GD	On-Demand	Clean	HTR2C	22	42
COCCN(CCF)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852022974	GD	On-Demand	Clean	DRD3	72	43
COCCN(CCF)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852022974	GD	On-Demand	Clean	HTR7	38	45
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC(F)(F)F)CC1	ZINC000852023007	GG	On-Demand	Anodyne	DRD4	19	45
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC(F)(F)F)CC1	ZINC000852023007	GG	On-Demand	Anodyne	SIGMAR1	16	48
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC(F)(F)F)CC1	ZINC000852023007	GG	On-Demand	Anodyne	HPGDS	43	48
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC(F)(F)F)CC1	ZINC000852023009	GG	On-Demand	Anodyne	DRD4	19	45
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC(F)(F)F)CC1	ZINC000852023009	GG	On-Demand	Anodyne	SIGMAR1	16	48
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC(F)(F)F)CC1	ZINC000852023009	GG	On-Demand	Anodyne	HPGDS	43	48
O=C(NCc1ncccn1)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852023061	EE	On-Demand	Anodyne	DRD2	26	45
O=C(NCc1ncccn1)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852023061	EE	On-Demand	Anodyne	SIGMAR1	26	47
O=C(NCc1ncccn1)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852023062	EE	On-Demand	Anodyne	DRD2	26	45
O=C(NCc1ncccn1)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852023062	EE	On-Demand	Anodyne	SIGMAR1	26	47
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023069	FF	On-Demand	Anodyne	MME	78	39
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023069	FF	On-Demand	Anodyne	ANPEP	68	34
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023069	FF	On-Demand	Anodyne	FCER2	45	33
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023069	FF	On-Demand	Anodyne	PAPA1_CARPA	65	42
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023069	FF	On-Demand	Anodyne	CPA1	45	40
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023069	FF	On-Demand	Anodyne	CAPNS1	57	35
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023069	FF	On-Demand	Anodyne	CAPN1	45	37
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023069	FF	On-Demand	Anodyne	FPR1	45	34
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023070	FF	On-Demand	Anodyne	MME	78	39
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023070	FF	On-Demand	Anodyne	ANPEP	68	34
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023070	FF	On-Demand	Anodyne	FCER2	45	33
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023070	FF	On-Demand	Anodyne	PAPA1_CARPA	65	42
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023070	FF	On-Demand	Anodyne	CPA1	45	40
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023070	FF	On-Demand	Anodyne	CAPNS1	57	35
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023070	FF	On-Demand	Anodyne	CAPN1	45	37
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(F)(F)Br	ZINC000852023070	FF	On-Demand	Anodyne	FPR1	45	34
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023071	FF	On-Demand	Anodyne	MME	78	39
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023071	FF	On-Demand	Anodyne	ANPEP	68	34
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023071	FF	On-Demand	Anodyne	FCER2	45	33
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023071	FF	On-Demand	Anodyne	PAPA1_CARPA	65	42
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023071	FF	On-Demand	Anodyne	CPA1	45	40
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023071	FF	On-Demand	Anodyne	CAPNS1	57	35
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023071	FF	On-Demand	Anodyne	CAPN1	45	37
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023071	FF	On-Demand	Anodyne	FPR1	45	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023072	FF	On-Demand	Anodyne	MME	78	39
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023072	FF	On-Demand	Anodyne	ANPEP	68	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023072	FF	On-Demand	Anodyne	FCER2	45	33
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023072	FF	On-Demand	Anodyne	PAPA1_CARPA	65	42
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023072	FF	On-Demand	Anodyne	CPA1	45	40
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023072	FF	On-Demand	Anodyne	CAPNS1	57	35
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023072	FF	On-Demand	Anodyne	CAPN1	45	37
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(F)(F)Br	ZINC000852023072	FF	On-Demand	Anodyne	FPR1	45	34
CC[C@@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1	ZINC000852023074	FE	On-Demand	Clean	HTR1A	49	48
CC[C@@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1	ZINC000852023074	FE	On-Demand	Clean	DRD2	38	41
CC[C@@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1	ZINC000852023074	FE	On-Demand	Clean	DRD4	57	48
CC[C@@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1	ZINC000852023074	FE	On-Demand	Clean	HTR2A	25	42
CC[C@@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1	ZINC000852023074	FE	On-Demand	Clean	DRD3	60	41
CC[C@@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CC1	ZINC000852023074	FE	On-Demand	Clean	HTR7	41	42
NC(=O)[C@@](O)(CN1CCCCC[C@H]1CCO)c1ccccc1	ZINC000852023090	DC	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@@](O)(CN1CCCCC[C@@H]1CCO)c1ccccc1	ZINC000852023091	DC	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@](O)(CN1CCCCC[C@H]1CCO)c1ccccc1	ZINC000852023092	DC	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@](O)(CN1CCCCC[C@@H]1CCO)c1ccccc1	ZINC000852023093	DC	On-Demand	Anodyne	AMY2	46	31
COc1ccccc1NC(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023111	FF	On-Demand	Anodyne	CCR1	65	42
COc1ccccc1NC(=O)[C@H](C)N1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023112	FF	On-Demand	Anodyne	CCR1	65	42
CC[C@@H](C)[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)OC	ZINC000852023135	FD	On-Demand	Anodyne	CACNA1H	28	48
CC[C@@H](C)[C@@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)OC	ZINC000852023135	FD	On-Demand	Anodyne	CCR1	76	42
CC[C@@H](C)[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)OC	ZINC000852023136	FD	On-Demand	Anodyne	CACNA1H	28	48
CC[C@@H](C)[C@H](NC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1)C(=O)OC	ZINC000852023136	FD	On-Demand	Anodyne	CCR1	76	42
CN(Cc1ccc(F)cc1)C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023157	FF	On-Demand	Anodyne	PLA2G7	69	41
CN(Cc1ccc(F)cc1)C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023157	FF	On-Demand	Anodyne	CCR1	54	42
CN(Cc1ccc(F)cc1)C(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023157	FF	On-Demand	Anodyne	TACR3	26	44
Cc1ccc(OC[C@H](C)NC(=O)NCCN2C[C@H]3CCCCN3C2=O)cc1	ZINC000852023159	FE	On-Demand	Anodyne	ADRB1	17	40
Cc1ccc(OC[C@@H](C)NC(=O)NCCN2C[C@H]3CCCCN3C2=O)cc1	ZINC000852023160	FE	On-Demand	Anodyne	ADRB1	17	40
Cc1ccc(OC[C@H](C)NC(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc1	ZINC000852023161	FE	On-Demand	Anodyne	ADRB1	17	40
Cc1ccc(OC[C@@H](C)NC(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc1	ZINC000852023162	FE	On-Demand	Anodyne	ADRB1	17	40
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NC(=O)NCC(F)(F)F	ZINC000852023178	FD	On-Demand	Anodyne	CCR1	46	39
OC1(c2ccc(Cl)cc2)CN(Cc2nnnn2Cc2ccccc2)C1	ZINC000852023179	FE	On-Demand	Anodyne	CCR1	41	38
O[C@H](COc1ccccc1F)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023184	FE	On-Demand	Anodyne	CCR1	60	38
O[C@H](COc1ccccc1F)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023184	FE	On-Demand	Anodyne	ABCB1	63	46
O[C@@H](COc1ccccc1F)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023185	FE	On-Demand	Anodyne	CCR1	60	38
O[C@@H](COc1ccccc1F)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023185	FE	On-Demand	Anodyne	ABCB1	63	46
N#CCC[C@H](C#N)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023202	CE	On-Demand	Mild	CCR1	40	45
N#CCC[C@@H](C#N)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023203	CE	On-Demand	Mild	CCR1	40	45
FC(F)OCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852023229	EF	On-Demand	Anodyne	HTR1A	40	45
FC(F)OCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852023229	EF	On-Demand	Anodyne	DRD2	19	44
FC(F)OCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852023229	EF	On-Demand	Anodyne	HTR2A	23	44
FC(F)OCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852023229	EF	On-Demand	Anodyne	DRD3	17	40
FC(F)OCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852023229	EF	On-Demand	Anodyne	SLC6A3	31	41
FC(F)OCCN1CCN(c2cccc(Br)c2)CC1	ZINC000852023229	EF	On-Demand	Anodyne	HTR7	35	44
N#Cc1ccc(CCNC(=O)NC2CCN(CC3CCCCC3)CC2)cc1	ZINC000852023269	FG	On-Demand	Mild	SIGMAR1	21	47
N#Cc1ccc(CCNC(=O)NC2CCN(CC3CCCCC3)CC2)cc1	ZINC000852023269	FG	On-Demand	Mild	CCR3	34	47
N#Cc1ccc(CCNC(=O)NC2CCN(CC3CCCCC3)CC2)cc1	ZINC000852023269	FG	On-Demand	Mild	EPHX2	15	53
N#Cc1ccc(CCNC(=O)NC2CCN(CC3CCCCC3)CC2)cc1	ZINC000852023269	FG	On-Demand	Mild	MCHR1	15	46
O=C(NCCOc1ccc(Br)cc1)N[C@@H]1C=CCC1	ZINC000852023272	EF	On-Demand	Anodyne	LSS	20	40
O=C(NCCOc1ccc(Br)cc1)N[C@H]1C=CCC1	ZINC000852023274	EF	On-Demand	Anodyne	LSS	20	40
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023278	DE	On-Demand	Anodyne	MME	65	39
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023278	DE	On-Demand	Anodyne	ANPEP	55	33
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023278	DE	On-Demand	Anodyne	PAPA1_CARPA	44	38
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023278	DE	On-Demand	Anodyne	CAPNS1	53	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023278	DE	On-Demand	Anodyne	CAPN1	47	37
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023278	DE	On-Demand	Anodyne	CAPN2	40	37
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCOC(F)F	ZINC000852023279	DE	On-Demand	Anodyne	MME	65	39
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCOC(F)F	ZINC000852023279	DE	On-Demand	Anodyne	ANPEP	55	33
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCOC(F)F	ZINC000852023279	DE	On-Demand	Anodyne	PAPA1_CARPA	44	38
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCOC(F)F	ZINC000852023279	DE	On-Demand	Anodyne	CAPNS1	53	34
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCOC(F)F	ZINC000852023279	DE	On-Demand	Anodyne	CAPN1	47	37
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCOC(F)F	ZINC000852023279	DE	On-Demand	Anodyne	CAPN2	40	37
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023281	DE	On-Demand	Anodyne	MME	65	39
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023281	DE	On-Demand	Anodyne	ANPEP	55	33
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023281	DE	On-Demand	Anodyne	PAPA1_CARPA	44	38
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023281	DE	On-Demand	Anodyne	CAPNS1	53	34
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023281	DE	On-Demand	Anodyne	CAPN1	47	37
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCOC(F)F	ZINC000852023281	DE	On-Demand	Anodyne	CAPN2	40	37
Fc1cccc(CN2CCN(c3cccc(Br)c3)CC2)n1	ZINC000852023288	FG	On-Demand	Anodyne	HTR1A	17	42
Fc1cccc(CN2CCN(c3cccc(Br)c3)CC2)n1	ZINC000852023288	FG	On-Demand	Anodyne	DRD4	35	42
O=C(NCC1=CCCC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023318	DG	On-Demand	Anodyne	CXCR3	15	48
O=C(NCCOc1ccc(Br)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852023325	GE	On-Demand	Anodyne	TRAR	37	40
O=C(NCCOc1ccc(Br)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852023327	GE	On-Demand	Anodyne	TRAR	37	40
FC(F)OCCN1CCC(F)(c2ccccn2)CC1	ZINC000852023340	CF	On-Demand	Anodyne	SLC6A3	24	40
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)NC1CCN(CC(F)(F)F)CC1	ZINC000852023345	GE	On-Demand	Anodyne	HPGDS	38	42
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)NC1CCN(CC(F)(F)F)CC1	ZINC000852023347	GE	On-Demand	Anodyne	HPGDS	38	42
O=C(NCc1ccccc1OCCN1CCOCC1)N[C@H]1C=CCC1	ZINC000852023356	ED	On-Demand	Anodyne	EPHX2	29	41
O=C(NCc1ccccc1OCCN1CCOCC1)N[C@@H]1C=CCC1	ZINC000852023358	ED	On-Demand	Anodyne	EPHX2	29	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023379	FD	On-Demand	Anodyne	DRD2	18	46
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023379	FD	On-Demand	Anodyne	DRD4	28	46
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023379	FD	On-Demand	Anodyne	ACHE	33	44
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023379	FD	On-Demand	Anodyne	SLC6A1	63	32
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023379	FD	On-Demand	Anodyne	DRD3	15	46
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023379	FD	On-Demand	Anodyne	HTR4	35	40
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023379	FD	On-Demand	Anodyne	SIGMAR1	37	45
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023379	FD	On-Demand	Anodyne	CCR3	46	47
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023381	FD	On-Demand	Anodyne	DRD2	18	46
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023381	FD	On-Demand	Anodyne	DRD4	28	46
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023381	FD	On-Demand	Anodyne	ACHE	33	44
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023381	FD	On-Demand	Anodyne	SLC6A1	63	32
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023381	FD	On-Demand	Anodyne	DRD3	15	46
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023381	FD	On-Demand	Anodyne	HTR4	35	40
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023381	FD	On-Demand	Anodyne	SIGMAR1	37	45
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023381	FD	On-Demand	Anodyne	CCR3	46	47
COC(=O)N(C)CCNC(=O)NCCN1Cc2ccccc2C1	ZINC000852023382	DC	On-Demand	Anodyne	DRD4	42	34
COC(=O)N(C)CCNC(=O)NCCN1Cc2ccccc2C1	ZINC000852023382	DC	On-Demand	Anodyne	DRD3	21	41
O=[N+]([O-])c1ccc(Br)c2c1CN([C@@H]1CCC[C@H]1O)CC2	ZINC000852023442	EF	On-Demand	Bother	SLC18A3	27	45
N#CCCNC(=O)CN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023449	CC	On-Demand	Mild	CCR1	55	39
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCn2ncc(Br)c2C1	ZINC000852023453	GF	On-Demand	Anodyne	EPHX2	19	41
O=C(N[C@H]1C[C@H]1c1cccc(F)c1)N1CCn2ncc(Br)c2C1	ZINC000852023454	GF	On-Demand	Anodyne	EPHX2	19	41
O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)N1CCn2ncc(Br)c2C1	ZINC000852023455	GF	On-Demand	Anodyne	EPHX2	19	41
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCCc1ccc(F)cc1	ZINC000852023465	FE	On-Demand	Anodyne	DRD4	15	53
O=C(CN1CC(O)(c2ccc(Cl)cc2)C1)NCCc1ccc(F)cc1	ZINC000852023465	FE	On-Demand	Anodyne	CCR1	44	49
NC(=O)[C@@](O)(CN1CCc2ccc(Br)cc2C1)c1ccccc1	ZINC000852023478	GE	On-Demand	Anodyne	AKR1C3	24	45
NC(=O)[C@](O)(CN1CCc2ccc(Br)cc2C1)c1ccccc1	ZINC000852023479	GE	On-Demand	Anodyne	AKR1C3	24	45
N#Cc1ccsc1NC(=O)CCN1CC(O)(c2ccc(Cl)cc2)C1	ZINC000852023506	FF	On-Demand	Mild	CCR1	48	39
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852023526	GE	On-Demand	Anodyne	SIGMAR1	27	43
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852023526	GE	On-Demand	Anodyne	CCR3	21	45
O=C(NCCc1ccc2ccccc2n1)N1CCC(N2CCOC2=O)CC1	ZINC000852023531	FE	On-Demand	Anodyne	SMO	46	42
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852023534	GE	On-Demand	Anodyne	SIGMAR1	27	43
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852023534	GE	On-Demand	Anodyne	CCR3	21	45
O=C(NCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023581	FG	On-Demand	Anodyne	DRD2	15	50
O=C(NCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023581	FG	On-Demand	Anodyne	DRD4	31	45
O=C(NCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023581	FG	On-Demand	Anodyne	ACHE	32	41
O=C(NCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023581	FG	On-Demand	Anodyne	SLC6A1	64	33
O=C(NCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023581	FG	On-Demand	Anodyne	HTR4	23	40
O=C(NCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023581	FG	On-Demand	Anodyne	SIGMAR1	46	50
O=C(NCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852023581	FG	On-Demand	Anodyne	CCR3	49	54
O=C(NCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023583	FG	On-Demand	Anodyne	DRD2	15	50
O=C(NCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023583	FG	On-Demand	Anodyne	DRD4	31	45
O=C(NCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023583	FG	On-Demand	Anodyne	ACHE	32	41
O=C(NCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023583	FG	On-Demand	Anodyne	SLC6A1	64	33
O=C(NCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023583	FG	On-Demand	Anodyne	HTR4	23	40
O=C(NCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023583	FG	On-Demand	Anodyne	SIGMAR1	46	50
O=C(NCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852023583	FG	On-Demand	Anodyne	CCR3	49	54
O=C(NCCCc1ccco1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023596	EH	On-Demand	Anodyne	HRH2	18	45
O=C(NCCCc1ccco1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023596	EH	On-Demand	Anodyne	CCR3	15	46
O=C(NCCCc1ccco1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023596	EH	On-Demand	Anodyne	EPHX2	17	44
O=C(NNC(=O)c1cccc(F)n1)NC1CCN(CC(F)(F)F)CC1	ZINC000852023606	FD	On-Demand	Reactive	HPGDS	45	53
CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C[C@@H]1CCC(=O)O1	ZINC000852023608	FF	On-Demand	Anodyne	NAAA	42	36
CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C[C@H]1CCC(=O)O1	ZINC000852023610	FF	On-Demand	Anodyne	NAAA	42	36
CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(CC3CCCCC3)CC2)C1	ZINC000852023619	EF	On-Demand	Anodyne	EPHX2	29	48
O=C(NC1CCN(CC2CCCCC2)CC1)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852023636	GG	On-Demand	Anodyne	SIGMAR1	15	42
O=C(NC1CCN(CC2CCCCC2)CC1)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852023636	GG	On-Demand	Anodyne	CCR3	55	47
O=C(NC1CCN(CC2CCCCC2)CC1)N[C@H](CO)c1ccc(F)cc1F	ZINC000852023638	GG	On-Demand	Anodyne	SIGMAR1	15	42
O=C(NC1CCN(CC2CCCCC2)CC1)N[C@H](CO)c1ccc(F)cc1F	ZINC000852023638	GG	On-Demand	Anodyne	CCR3	55	47
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(F)(c3ccccn3)CC2)C1	ZINC000852023647	GF	On-Demand	Anodyne	GPR119	27	42
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC(F)(c3ccccn3)CC2)C1	ZINC000852023648	GF	On-Demand	Anodyne	GPR119	27	42
O=C(NCc1cnc(C(F)(F)F)nc1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023651	GG	On-Demand	Anodyne	CXCR3	15	44
CC[C@@H](NC(=O)NC1CCN(CC2CCCCC2)CC1)C1CC1	ZINC000852023670	DH	On-Demand	Anodyne	EPHX2	19	45
COCCN(CCF)C(=O)NCCN1Cc2ccccc2C1	ZINC000852023675	DD	On-Demand	Anodyne	HTR1A	20	40
COCCN(CCF)C(=O)NCCN1Cc2ccccc2C1	ZINC000852023675	DD	On-Demand	Anodyne	DRD2	25	40
COCCN(CCF)C(=O)NCCN1Cc2ccccc2C1	ZINC000852023675	DD	On-Demand	Anodyne	DRD4	44	36
COCCN(CCF)C(=O)NCCN1Cc2ccccc2C1	ZINC000852023675	DD	On-Demand	Anodyne	DRD3	43	41
O=C(NCC1CCN(CC2CC2)CC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023732	GG	On-Demand	Anodyne	HTR4	16	44
O=C(NCC1CCN(CC2CC2)CC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023732	GG	On-Demand	Anodyne	EPHX2	23	42
O=C(NCC1CCN(CC2CC2)CC1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023732	GG	On-Demand	Anodyne	CACNA1I	50	35
COC(=O)N(C)CCNC(=O)NCCc1ccc2ccccc2n1	ZINC000852023734	ED	On-Demand	Anodyne	CYSLTR1	41	41
O=C(NCCS(=O)(=O)CC(F)(F)F)NC1CCN(CC(F)(F)F)CC1	ZINC000852023827	GD	On-Demand	Anodyne	HPGDS	39	43
CCSC1(CNC(=O)NC2CCN(CC3CCCCC3)CC2)CC1	ZINC000852023859	FH	On-Demand	Anodyne	EPHX2	19	40
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023873	FG	On-Demand	Reactive	F10	15	40
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC2CCCCC2)CC1	ZINC000852023873	FG	On-Demand	Reactive	SIGMAR1	19	43
O=C(NCCN1Cc2ccccc2C1)N1CCC(N2CCOC2=O)CC1	ZINC000852023874	FD	On-Demand	Anodyne	HTR4	15	46
O=C(NCCN1Cc2ccccc2C1)N1CCC(N2CCOC2=O)CC1	ZINC000852023874	FD	On-Demand	Anodyne	PLD1	59	35
O=C(NCCN1Cc2ccccc2C1)N1CCC(N2CCOC2=O)CC1	ZINC000852023874	FD	On-Demand	Anodyne	PLD2	57	38
O=C(NC1CCN(CC2CCCCC2)CC1)NC1CCC2(CC1)CC2(F)F	ZINC000852023890	GI	On-Demand	Anodyne	EPHX2	17	43
CN(CCOC(F)F)C(C)(C)c1ccccc1	ZINC000852023933	BG	On-Demand	Anodyne	AMY2	59	35
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1ccc(C(C)(C)C)cc1	ZINC000852023944	GF	On-Demand	Reactive	TRPV1	36	45
CCOP(=O)(OCC)[C@H](O)CN(C)C(C)(C)c1ccccc1	ZINC000852023956	EG	On-Demand	Anodyne	AMY2	57	35
CCOP(=O)(OCC)[C@@H](O)CN(C)C(C)(C)c1ccccc1	ZINC000852023958	EG	On-Demand	Anodyne	AMY2	57	35
C=CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852023975	ED	On-Demand	Mild	HTR1A	62	52
C=CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852023975	ED	On-Demand	Mild	DRD2	47	44
C=CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852023975	ED	On-Demand	Mild	DRD4	62	52
C=CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852023975	ED	On-Demand	Mild	HTR2A	32	46
C=CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852023975	ED	On-Demand	Mild	HTR2C	19	41
C=CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852023975	ED	On-Demand	Mild	DRD3	71	45
C=CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852023975	ED	On-Demand	Mild	HTR7	59	46
COCCN(CCF)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852024001	FF	On-Demand	Anodyne	DRD2	45	49
COCCN(CCF)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852024001	FF	On-Demand	Anodyne	LTA4H	18	40
COCCN(CCF)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852024001	FF	On-Demand	Anodyne	SIGMAR1	32	50
COCCN(CCF)C(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852024001	FF	On-Demand	Anodyne	ACKR3	67	33
COCCN(CCF)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852024003	FF	On-Demand	Anodyne	DRD2	45	49
COCCN(CCF)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852024003	FF	On-Demand	Anodyne	LTA4H	18	40
COCCN(CCF)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852024003	FF	On-Demand	Anodyne	SIGMAR1	32	50
COCCN(CCF)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852024003	FF	On-Demand	Anodyne	ACKR3	67	33
O=C(NC[C@]12OCCC[C@H]1C2(F)F)NC1CCN(CC(F)(F)F)CC1	ZINC000852024005	FE	On-Demand	Anodyne	HPGDS	34	40
O=C(NCc1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852024008	FE	On-Demand	Anodyne	P2RX7	44	41
O=C(NCc1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852024008	FE	On-Demand	Anodyne	EPHX2	15	44
O=C(NCc1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852024008	FE	On-Demand	Anodyne	RBP4	77	37
O=C(NCc1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852024010	FE	On-Demand	Anodyne	P2RX7	44	41
O=C(NCc1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852024010	FE	On-Demand	Anodyne	EPHX2	15	44
O=C(NCc1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852024010	FE	On-Demand	Anodyne	RBP4	77	37
O=C(NC1CCN(CC(F)(F)F)CC1)N[C@H]1C=CCC1	ZINC000852024022	CE	On-Demand	Anodyne	HPGDS	40	44
CCOc1cccc([C@H](C)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1	ZINC000852024023	GI	On-Demand	Anodyne	PDS	64	43
O=C(NC1CCN(CC(F)(F)F)CC1)N[C@@H]1C=CCC1	ZINC000852024024	CE	On-Demand	Anodyne	HPGDS	40	44
CCOc1cccc([C@@H](C)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1	ZINC000852024026	GI	On-Demand	Anodyne	PDS	64	43
CN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)c1ccccc1	ZINC000852024041	DE	On-Demand	Anodyne	AMY2	57	36
Cc1ccccc1CCNC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852024042	JJ	On-Demand	Anodyne	TMPRSS6	45	32
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852024044	GF	On-Demand	Anodyne	LTA4H	23	42
COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852024044	GF	On-Demand	Anodyne	ANPEP	40	31
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852024045	GF	On-Demand	Anodyne	LTA4H	23	42
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852024045	GF	On-Demand	Anodyne	ANPEP	40	31
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852024046	GF	On-Demand	Anodyne	LTA4H	23	42
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852024046	GF	On-Demand	Anodyne	ANPEP	40	31
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852024047	GF	On-Demand	Anodyne	LTA4H	23	42
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852024047	GF	On-Demand	Anodyne	ANPEP	40	31
Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852024048	JJ	On-Demand	Anodyne	TMPRSS6	45	32
O=C(NNC(=O)c1cccc(F)n1)NC1CCN(CC2CCCC2)CC1	ZINC000852024052	FD	On-Demand	Reactive	EPHX2	17	41
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	HTR2A	21	42
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	TNF	34	41
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	LTA4H	15	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	MAPK14	17	41
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	EPHX2	27	42
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	FLT3	18	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	MAPK12	19	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	STK10	22	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	EPHA2	15	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	EPHA8	15	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	EPHA5	18	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	EPHA4	16	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	TIE1	19	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	DDR2	19	40
O=C(NCc1ncccn1)NCc1ccccc1OCCN1CCOCC1	ZINC000852024053	FD	On-Demand	Anodyne	CDK8	22	40
O=C(NCc1ccccc1Oc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852024061	GG	On-Demand	Anodyne	HRH3	20	40
O=C(NCc1ccccc1Oc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852024063	GG	On-Demand	Anodyne	HRH3	20	40
CCOc1cccc([C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852024070	FF	On-Demand	Anodyne	PDS	60	40
CCOc1cccc([C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852024072	FF	On-Demand	Anodyne	PDS	60	40
CCOc1cccc([C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852024074	FF	On-Demand	Anodyne	PDS	60	40
CCOc1cccc([C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852024076	FF	On-Demand	Anodyne	PDS	60	40
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024078	GF	On-Demand	Mild	ACHE	22	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024078	GF	On-Demand	Mild	SIGMAR1	26	43
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024078	GF	On-Demand	Mild	CHEK2	19	40
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024078	GF	On-Demand	Mild	PDK1	47	36
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024078	GF	On-Demand	Mild	MCHR1	23	43
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024078	GF	On-Demand	Mild	CACNA1I	58	40
C#C[C@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024080	GF	On-Demand	Mild	ACHE	22	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024080	GF	On-Demand	Mild	SIGMAR1	26	43
C#C[C@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024080	GF	On-Demand	Mild	CHEK2	19	40
C#C[C@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024080	GF	On-Demand	Mild	PDK1	47	36
C#C[C@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024080	GF	On-Demand	Mild	MCHR1	23	43
C#C[C@H](NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852024080	GF	On-Demand	Mild	CACNA1I	58	40
O=C(NCc1ncccn1)NC1CCN(CC2CCCC2)CC1	ZINC000852024085	DD	On-Demand	Anodyne	EPHX2	26	44
CCOc1cccc([C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852024144	GH	On-Demand	Anodyne	PDS	80	43
CCOc1cccc([C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852024145	GH	On-Demand	Anodyne	PDS	80	43
CCOc1cccc([C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852024146	GH	On-Demand	Anodyne	PDS	80	43
CCOc1cccc([C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852024147	GH	On-Demand	Anodyne	PDS	80	43
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852024152	FG	On-Demand	Reactive	DRD2	15	45
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852024152	FG	On-Demand	Reactive	DRD4	38	45
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852024152	FG	On-Demand	Reactive	ACHE	27	40
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852024152	FG	On-Demand	Reactive	SLC6A1	71	33
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852024152	FG	On-Demand	Reactive	F10	24	42
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852024152	FG	On-Demand	Reactive	SIGMAR1	31	45
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852024152	FG	On-Demand	Reactive	CCR3	35	49
C#C[C@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024159	FF	On-Demand	Mild	SIGMAR1	22	43
C#C[C@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024159	FF	On-Demand	Mild	CCR3	27	45
C#C[C@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024159	FF	On-Demand	Mild	PDE8B	15	42
C#C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024160	FF	On-Demand	Mild	SIGMAR1	22	43
C#C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024160	FF	On-Demand	Mild	CCR3	27	45
C#C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024160	FF	On-Demand	Mild	PDE8B	15	42
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024161	FF	On-Demand	Mild	SIGMAR1	22	43
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024161	FF	On-Demand	Mild	CCR3	27	45
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024161	FF	On-Demand	Mild	PDE8B	15	42
C#C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024163	FF	On-Demand	Mild	SIGMAR1	22	43
C#C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024163	FF	On-Demand	Mild	CCR3	27	45
C#C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852024163	FF	On-Demand	Mild	PDE8B	15	42
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC2CCCC2)CC1	ZINC000852024189	FG	On-Demand	Reactive	F10	17	40
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC2CCCC2)CC1	ZINC000852024189	FG	On-Demand	Reactive	SIGMAR1	19	42
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1noc(-c2cccs2)n1	ZINC000852024192	GD	On-Demand	Anodyne	HDAC4	16	44
O=C(NCCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024220	GG	On-Demand	Anodyne	DRD4	27	42
O=C(NCCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024220	GG	On-Demand	Anodyne	ACHE	36	47
O=C(NCCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024220	GG	On-Demand	Anodyne	SLC6A1	45	32
O=C(NCCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024220	GG	On-Demand	Anodyne	SIGMAR1	35	49
O=C(NCCC1SCCS1)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024220	GG	On-Demand	Anodyne	CCR3	46	51
O=C(NCCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024221	GG	On-Demand	Anodyne	DRD4	27	42
O=C(NCCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024221	GG	On-Demand	Anodyne	ACHE	36	47
O=C(NCCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024221	GG	On-Demand	Anodyne	SLC6A1	45	32
O=C(NCCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024221	GG	On-Demand	Anodyne	SIGMAR1	35	49
O=C(NCCC1SCCS1)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024221	GG	On-Demand	Anodyne	CCR3	46	51
O=C(NCc1ccccc1OCCN1CCOCC1)NCC1SCCS1	ZINC000852024229	GE	On-Demand	Anodyne	EPHX2	33	44
O=C(NC[C@H]1CCCCN1Cc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852024232	GE	On-Demand	Reactive	DRD2	38	47
O=C(NC[C@H]1CCCCN1Cc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852024232	GE	On-Demand	Reactive	SIGMAR1	15	47
CCOc1cccc([C@@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852024234	EH	On-Demand	Reactive	PDS	54	47
CCOc1cccc([C@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852024237	EH	On-Demand	Reactive	PDS	54	47
CCSC1(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000852024247	GE	On-Demand	Clean	HTR1A	48	50
CCSC1(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000852024247	GE	On-Demand	Clean	DRD2	37	43
CCSC1(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000852024247	GE	On-Demand	Clean	DRD4	58	50
CCSC1(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000852024247	GE	On-Demand	Clean	HTR2A	32	45
CCSC1(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000852024247	GE	On-Demand	Clean	HTR2C	23	41
CCSC1(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000852024247	GE	On-Demand	Clean	DRD3	58	47
CCSC1(CNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC000852024247	GE	On-Demand	Clean	HTR7	43	45
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	DRD4	25	48
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	ACHE	36	51
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	AVPR1B	43	35
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	SIGMAR1	39	48
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	SSTR5	47	33
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	MMP13	24	42
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	CHEK2	16	40
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	CCR3	46	42
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	PDK1	42	39
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	MMP1	19	42
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	MCHR1	36	46
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	CACNA1G	18	42
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024273	GD	On-Demand	Anodyne	CACNA1I	62	44
CNS(=O)(=O)c1cccc2c1CCN(CC(=O)Nc1ccc(Cl)nc1)C2	ZINC000852024280	GD	On-Demand	Anodyne	NOD2	41	35
O=C(NCCC1SCCS1)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852024289	GH	On-Demand	Anodyne	DRD2	33	44
O=C(NCCC1SCCS1)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852024289	GH	On-Demand	Anodyne	SIGMAR1	22	49
O=C(NCCC1SCCS1)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852024291	GH	On-Demand	Anodyne	DRD2	33	44
O=C(NCCC1SCCS1)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852024291	GH	On-Demand	Anodyne	SIGMAR1	22	49
O=C(NCc1ccccc1C(F)(F)F)NCC1SCCS1	ZINC000852024294	EG	On-Demand	Anodyne	P2RX7	41	38
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC2CCCC2)CC1	ZINC000852024334	GH	On-Demand	Anodyne	DRD4	21	44
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC2CCCC2)CC1	ZINC000852024334	GH	On-Demand	Anodyne	SIGMAR1	26	48
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC2CCCC2)CC1	ZINC000852024334	GH	On-Demand	Anodyne	EPHX2	20	40
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC2CCCC2)CC1	ZINC000852024335	GH	On-Demand	Anodyne	DRD4	21	44
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC2CCCC2)CC1	ZINC000852024335	GH	On-Demand	Anodyne	SIGMAR1	26	48
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC2CCCC2)CC1	ZINC000852024335	GH	On-Demand	Anodyne	EPHX2	20	40
O=C(NCc1noc(-c2cccs2)n1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852024342	FD	On-Demand	Anodyne	ETHR	43	43
O=C(NCc1noc(-c2cccs2)n1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852024343	FD	On-Demand	Anodyne	ETHR	43	43
O=C(NCc1ccccc1Oc1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852024346	GH	On-Demand	Anodyne	HRH3	21	41
O=C(NCc1ccccc1Oc1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852024346	GH	On-Demand	Anodyne	EPHX2	20	44
CCC[C@H](CC)NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852024372	EG	On-Demand	Anodyne	CTSK	15	40
CCC[C@@H](CC)NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852024373	EG	On-Demand	Anodyne	CTSK	15	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccc(C(C)(C)C)cc2)O1	ZINC000852024394	FD	On-Demand	Reactive	TRPV1	15	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccc(C(C)(C)C)cc2)O1	ZINC000852024396	FD	On-Demand	Reactive	TRPV1	15	40
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024404	DG	On-Demand	Anodyne	MME	69	38
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024404	DG	On-Demand	Anodyne	ANPEP	66	33
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024404	DG	On-Demand	Anodyne	PAPA1_CARPA	47	39
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024404	DG	On-Demand	Anodyne	CPA1	44	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024404	DG	On-Demand	Anodyne	CAPNS1	52	34
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024404	DG	On-Demand	Anodyne	CAPN1	55	37
COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024404	DG	On-Demand	Anodyne	CAPN2	46	33
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC=C(Cl)Cl	ZINC000852024405	DG	On-Demand	Anodyne	MME	69	38
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC=C(Cl)Cl	ZINC000852024405	DG	On-Demand	Anodyne	ANPEP	66	33
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC=C(Cl)Cl	ZINC000852024405	DG	On-Demand	Anodyne	PAPA1_CARPA	47	39
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC=C(Cl)Cl	ZINC000852024405	DG	On-Demand	Anodyne	CPA1	44	34
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC=C(Cl)Cl	ZINC000852024405	DG	On-Demand	Anodyne	CAPNS1	52	34
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC=C(Cl)Cl	ZINC000852024405	DG	On-Demand	Anodyne	CAPN1	55	37
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC=C(Cl)Cl	ZINC000852024405	DG	On-Demand	Anodyne	CAPN2	46	33
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024406	DG	On-Demand	Anodyne	MME	69	38
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024406	DG	On-Demand	Anodyne	ANPEP	66	33
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024406	DG	On-Demand	Anodyne	PAPA1_CARPA	47	39
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024406	DG	On-Demand	Anodyne	CPA1	44	34
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024406	DG	On-Demand	Anodyne	CAPNS1	52	34
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024406	DG	On-Demand	Anodyne	CAPN1	55	37
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC=C(Cl)Cl	ZINC000852024406	DG	On-Demand	Anodyne	CAPN2	46	33
CCn1c(CCNC(=O)N2CCC(NC(=O)OC)CC2)nc2ccccc21	ZINC000852024412	FE	On-Demand	Anodyne	SMO	36	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024427	GF	On-Demand	Mild	HTR1A	60	48
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024427	GF	On-Demand	Mild	DRD2	47	43
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024427	GF	On-Demand	Mild	DRD4	59	48
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024427	GF	On-Demand	Mild	HTR2A	29	45
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024427	GF	On-Demand	Mild	HTR2C	18	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024427	GF	On-Demand	Mild	DRD3	72	42
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024427	GF	On-Demand	Mild	HTR7	47	45
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)c1ccccn1	ZINC000852024440	GE	On-Demand	Anodyne	GPR119	23	40
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)c1ccccn1	ZINC000852024442	GE	On-Demand	Anodyne	GPR119	23	40
Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)c1ccccn1	ZINC000852024444	GE	On-Demand	Anodyne	GPR119	23	40
Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)c1ccccn1	ZINC000852024446	GE	On-Demand	Anodyne	GPR119	23	40
OCC[C@H]1CCCCCN1C[C@H](O)c1ccccn1	ZINC000852024467	CD	On-Demand	Anodyne	SLC18A2	58	40
OCC[C@H]1CCCCCN1C[C@@H](O)c1ccccn1	ZINC000852024469	CD	On-Demand	Anodyne	SLC18A2	58	40
OCC[C@@H]1CCCCCN1C[C@H](O)c1ccccn1	ZINC000852024471	CD	On-Demand	Anodyne	SLC18A2	58	40
COCCN(CCF)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024485	FF	On-Demand	Anodyne	DRD4	32	48
COCCN(CCF)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024485	FF	On-Demand	Anodyne	ACHE	29	43
COCCN(CCF)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024485	FF	On-Demand	Anodyne	SLC6A1	115	35
COCCN(CCF)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024485	FF	On-Demand	Anodyne	DRD3	25	48
COCCN(CCF)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024485	FF	On-Demand	Anodyne	HTR4	41	43
COCCN(CCF)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024485	FF	On-Demand	Anodyne	SIGMAR1	38	46
COCCN(CCF)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024485	FF	On-Demand	Anodyne	CCR3	36	46
COCCN(CCF)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1	ZINC000852024485	FF	On-Demand	Anodyne	ACKR3	50	32
COCCN(CCF)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024486	FF	On-Demand	Anodyne	DRD4	32	48
COCCN(CCF)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024486	FF	On-Demand	Anodyne	ACHE	29	43
COCCN(CCF)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024486	FF	On-Demand	Anodyne	SLC6A1	115	35
COCCN(CCF)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024486	FF	On-Demand	Anodyne	DRD3	25	48
COCCN(CCF)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024486	FF	On-Demand	Anodyne	HTR4	41	43
COCCN(CCF)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024486	FF	On-Demand	Anodyne	SIGMAR1	38	46
COCCN(CCF)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024486	FF	On-Demand	Anodyne	CCR3	36	46
COCCN(CCF)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000852024486	FF	On-Demand	Anodyne	ACKR3	50	32
NC(=O)[C@](O)(CN1CCC[C@@H]1[C@H]1CCCO1)c1ccccc1	ZINC000852024487	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@](O)(CN1CCC[C@H]1[C@H]1CCCO1)c1ccccc1	ZINC000852024488	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@](O)(CN1CCC[C@@H]1[C@@H]1CCCO1)c1ccccc1	ZINC000852024489	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@](O)(CN1CCC[C@H]1[C@@H]1CCCO1)c1ccccc1	ZINC000852024490	DD	On-Demand	Anodyne	CYP2J2	46	32
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC(F)(F)F)CC1	ZINC000852024545	FE	On-Demand	Reactive	F10	17	40
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC(F)(F)F)CC1	ZINC000852024545	FE	On-Demand	Reactive	MCHR1	17	40
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC(F)(F)F)CC1	ZINC000852024545	FE	On-Demand	Reactive	HPGDS	43	47
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852024578	GG	On-Demand	Anodyne	DRD4	15	41
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852024578	GG	On-Demand	Anodyne	SIGMAR1	22	45
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852024578	GG	On-Demand	Anodyne	CCR3	34	45
O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852024578	GG	On-Demand	Anodyne	CACNA1G	17	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852024589	FE	On-Demand	Anodyne	DRD2	42	48
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1	ZINC000852024589	FE	On-Demand	Anodyne	SIGMAR1	23	49
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852024591	FE	On-Demand	Anodyne	DRD2	42	48
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1	ZINC000852024591	FE	On-Demand	Anodyne	SIGMAR1	23	49
O=C(NCCC1SCCS1)NC1CCN(CC(F)(F)F)CC1	ZINC000852024665	FF	On-Demand	Anodyne	HPGDS	37	40
O=C(NC1CCN(CC(F)(F)F)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852024672	EE	On-Demand	Anodyne	HPGDS	35	40
O=C(NC1CCN(CC(F)(F)F)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852024674	EE	On-Demand	Anodyne	HPGDS	35	40
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024695	GC	On-Demand	Clean	HTR1A	55	50
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024695	GC	On-Demand	Clean	DRD2	43	42
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024695	GC	On-Demand	Clean	DRD4	60	50
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024695	GC	On-Demand	Clean	HTR2A	30	44
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024695	GC	On-Demand	Clean	HTR2C	19	41
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024695	GC	On-Demand	Clean	DRD3	65	43
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852024695	GC	On-Demand	Clean	HTR7	52	44
COCCN(CCF)C(=O)NCc1ccccc1Oc1ccccc1	ZINC000852024710	EH	On-Demand	Anodyne	TSPO	55	37
CCOc1cccc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024714	GH	On-Demand	Clean	CCKAR	45	34
CCOc1cccc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024714	GH	On-Demand	Clean	MTNR1A	23	52
CCOc1cccc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024714	GH	On-Demand	Clean	MTNR1B	25	52
CCOc1cccc([C@@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024714	GH	On-Demand	Clean	MCHR1	18	40
CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024715	GH	On-Demand	Clean	CCKAR	45	34
CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024715	GH	On-Demand	Clean	MTNR1A	23	52
CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024715	GH	On-Demand	Clean	MTNR1B	25	52
CCOc1cccc([C@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024715	GH	On-Demand	Clean	MCHR1	18	40
CCOc1cccc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024716	GH	On-Demand	Clean	CCKAR	45	34
CCOc1cccc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024716	GH	On-Demand	Clean	MTNR1A	23	52
CCOc1cccc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024716	GH	On-Demand	Clean	MTNR1B	25	52
CCOc1cccc([C@@H](C)NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024716	GH	On-Demand	Clean	MCHR1	18	40
CCOc1cccc([C@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024717	GH	On-Demand	Clean	CCKAR	45	34
CCOc1cccc([C@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024717	GH	On-Demand	Clean	MTNR1A	23	52
CCOc1cccc([C@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024717	GH	On-Demand	Clean	MTNR1B	25	52
CCOc1cccc([C@H](C)NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852024717	GH	On-Demand	Clean	MCHR1	18	40
CCOc1cccc([C@H](C)NC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852024727	EC	On-Demand	Reactive	PDS	17	40
CCOc1cccc([C@@H](C)NC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852024728	EC	On-Demand	Reactive	PDS	17	40
O=C(NCc1noc(-c2cccs2)n1)N1CCC(N2CCOC2=O)CC1	ZINC000852024741	GD	On-Demand	Anodyne	ETHR	48	44
CCOc1cccc([C@@H](C)NC(=O)NCCN(C)C(=O)OC)c1	ZINC000852024755	DE	On-Demand	Anodyne	PDS	52	42
CCOc1cccc([C@H](C)NC(=O)NCCN(C)C(=O)OC)c1	ZINC000852024756	DE	On-Demand	Anodyne	PDS	52	42
CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852024768	GH	On-Demand	Clean	PDS	59	41
CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852024769	GH	On-Demand	Clean	PDS	59	41
O=C(NCc1ccccc1C(F)(F)F)N[C@@H]1C=CCC1	ZINC000852024775	CG	On-Demand	Anodyne	P2RX7	42	39
O=C(NCc1ccccc1C(F)(F)F)N[C@@H]1C=CCC1	ZINC000852024775	CG	On-Demand	Anodyne	EPHX2	17	44
O=C(NCc1ccccc1C(F)(F)F)N[C@@H]1C=CCC1	ZINC000852024775	CG	On-Demand	Anodyne	RBP4	40	34
O=C(NCc1ccccc1C(F)(F)F)N[C@H]1C=CCC1	ZINC000852024776	CG	On-Demand	Anodyne	P2RX7	42	39
O=C(NCc1ccccc1C(F)(F)F)N[C@H]1C=CCC1	ZINC000852024776	CG	On-Demand	Anodyne	EPHX2	17	44
O=C(NCc1ccccc1C(F)(F)F)N[C@H]1C=CCC1	ZINC000852024776	CG	On-Demand	Anodyne	RBP4	40	34
CCC[C@@H](CC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852024809	DG	On-Demand	Clean	MTNR1B	15	52
CCC[C@H](CC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852024810	DG	On-Demand	Clean	MTNR1B	15	52
CCC[C@@H](CC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852024811	DG	On-Demand	Clean	MTNR1B	15	52
CCC[C@H](CC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852024812	DG	On-Demand	Clean	MTNR1B	15	52
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccccc2C(F)(F)F)O1	ZINC000852024818	FD	On-Demand	Reactive	P2RX7	55	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccccc2C(F)(F)F)O1	ZINC000852024819	FD	On-Demand	Reactive	P2RX7	55	42
CCOc1cccc([C@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1	ZINC000852024828	GE	On-Demand	Reactive	PDS	60	41
CCOc1cccc([C@@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1	ZINC000852024829	GE	On-Demand	Reactive	PDS	60	41
CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852024847	GH	On-Demand	Anodyne	PDS	54	40
CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852024848	GH	On-Demand	Anodyne	PDS	54	40
CCC[C@@H](CC)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852024851	GE	On-Demand	Reactive	SIGMAR1	19	41
CCC[C@H](CC)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852024852	GE	On-Demand	Reactive	SIGMAR1	19	41
CCOc1cccc([C@@H](C)NC(=O)N(CCF)CCOC)c1	ZINC000852024894	DF	On-Demand	Anodyne	ACACB	15	45
CCOc1cccc([C@@H](C)NC(=O)N(CCF)CCOC)c1	ZINC000852024894	DF	On-Demand	Anodyne	PDS	42	41
CCOc1cccc([C@H](C)NC(=O)N(CCF)CCOC)c1	ZINC000852024895	DF	On-Demand	Anodyne	ACACB	15	45
CCOc1cccc([C@H](C)NC(=O)N(CCF)CCOC)c1	ZINC000852024895	DF	On-Demand	Anodyne	PDS	42	41
O=C(NCc1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852024896	FF	On-Demand	Anodyne	P2RX7	40	41
O=C(NCc1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852024896	FF	On-Demand	Anodyne	EPHX2	20	45
O=C(NCc1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852024896	FF	On-Demand	Anodyne	RBP4	71	37
CCOc1cccc([C@@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852024901	EH	On-Demand	Anodyne	PDS	42	41
CCOc1cccc([C@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852024902	EH	On-Demand	Anodyne	PDS	42	41
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)NC1CCN(CC2CCCC2)CC1	ZINC000852024970	GG	On-Demand	Anodyne	C3AR1	21	41
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)NC1CCN(CC2CCCC2)CC1	ZINC000852024971	GG	On-Demand	Anodyne	C3AR1	21	41
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	DRD2	21	49
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	DRD4	30	49
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	ACHE	33	50
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	DRD3	17	40
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	AVPR1B	40	33
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	KCNH2	16	44
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	HTR4	44	41
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	SIGMAR1	42	51
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	MMP13	29	41
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	CCR3	40	39
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	PDK1	41	38
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	MMP1	25	41
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	MCHR1	42	50
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	CACNA1G	23	44
COCCN(CCF)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852024977	GF	On-Demand	Anodyne	CACNA1I	68	45
C#C[C@@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)C1CCOCC1	ZINC000852024983	EG	On-Demand	Mild	TRPV1	20	41
C#C[C@H](NC(=O)NCc1ccc(C(C)(C)C)cc1)C1CCOCC1	ZINC000852024984	EG	On-Demand	Mild	TRPV1	20	41
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(OC)cc1	ZINC000852024986	CE	On-Demand	Anodyne	ACACA	24	45
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(OC)cc1	ZINC000852024986	CE	On-Demand	Anodyne	ACACB	25	41
CCOc1cccc([C@@H](C)NC(=O)NCc2ncccn2)c1	ZINC000852024987	DE	On-Demand	Anodyne	ACACB	17	47
CCOc1cccc([C@@H](C)NC(=O)NCc2ncccn2)c1	ZINC000852024987	DE	On-Demand	Anodyne	PDS	78	44
CCOc1cccc([C@H](C)NC(=O)NCc2ncccn2)c1	ZINC000852024988	DE	On-Demand	Anodyne	ACACB	17	47
CCOc1cccc([C@H](C)NC(=O)NCc2ncccn2)c1	ZINC000852024988	DE	On-Demand	Anodyne	PDS	78	44
O=C(NCc1ccccc1C(F)(F)F)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852025014	GD	On-Demand	Reactive	P2RX7	41	41
N#C[C@@H](c1ccccc1)N1CCC[C@](O)(c2cnn[nH]2)C1	ZINC000852025038	CD	On-Demand	Mild	PTAFR	15	40
N#C[C@H](c1ccccc1)N1CCC[C@@](O)(c2cnn[nH]2)C1	ZINC000852025039	CD	On-Demand	Mild	PTAFR	15	40
N#C[C@H](c1ccccc1)N1CCC[C@](O)(c2cnn[nH]2)C1	ZINC000852025040	CD	On-Demand	Mild	PTAFR	15	40
N#C[C@@H](c1ccccc1)N1CCC[C@@](O)(c2cnn[nH]2)C1	ZINC000852025041	CD	On-Demand	Mild	PTAFR	15	40
CCOc1cccc([C@@H](C)NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)c1	ZINC000852025042	GG	On-Demand	Anodyne	PDS	55	41
CCOc1cccc([C@H](C)NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)c1	ZINC000852025043	GG	On-Demand	Anodyne	PDS	55	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc2cccnc12	ZINC000852025052	GG	On-Demand	Clean	STAT6	31	40
O=C(NCCC1SCCS1)NCc1ccccc1C(F)(F)F	ZINC000852025056	FH	On-Demand	Anodyne	P2RX7	40	38
O=C1CCC2=C(CCN(C(=O)NCc3ccccc3C(F)(F)F)C2)N1	ZINC000852025057	FF	On-Demand	Anodyne	P2RX7	42	38
CCOc1cccc([C@H](C)NC(=O)N[C@@H]2C=CCC2)c1	ZINC000852025120	CG	On-Demand	Anodyne	PDS	49	44
CCOc1cccc([C@H](C)NC(=O)N[C@H]2C=CCC2)c1	ZINC000852025121	CG	On-Demand	Anodyne	PDS	49	44
CCOc1cccc([C@@H](C)NC(=O)N[C@H]2C=CCC2)c1	ZINC000852025122	CG	On-Demand	Anodyne	PDS	49	44
CCOc1cccc([C@@H](C)NC(=O)N[C@@H]2C=CCC2)c1	ZINC000852025123	CG	On-Demand	Anodyne	PDS	49	44
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc4cccnc34)C2)cc1	ZINC000852025125	GG	On-Demand	Clean	MTNR1A	21	46
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc4cccnc34)C2)cc1	ZINC000852025125	GG	On-Demand	Clean	MTNR1B	15	46
CCOc1cccc([C@@H](C)NC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852025129	EF	On-Demand	Anodyne	PDS	26	42
CCOc1cccc([C@H](C)NC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852025130	EF	On-Demand	Anodyne	PDS	26	42
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccccc2Br)O1	ZINC000852025147	GC	On-Demand	Reactive	P2RX7	20	44
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccccc2Br)O1	ZINC000852025148	GC	On-Demand	Reactive	P2RX7	20	44
O=C(NCc1cccc(Br)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852025162	FE	On-Demand	Anodyne	NPSR1	25	40
O=C(NCc1cccc(Br)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852025162	FE	On-Demand	Anodyne	LUXR	15	40
O=C(NCc1cccc(Br)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852025163	FE	On-Demand	Anodyne	NPSR1	25	40
O=C(NCc1cccc(Br)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852025163	FE	On-Demand	Anodyne	LUXR	15	40
O=C(NCc1cccc(Br)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852025166	GF	On-Demand	Anodyne	LUXR	15	41
NC(=O)[C@H]1CCO[C@@H]1C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852025192	FB	On-Demand	Anodyne	CYP2J2	50	35
NC(=O)[C@H]1CCO[C@@H]1C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852025193	FB	On-Demand	Anodyne	CYP2J2	50	35
COC(=O)N(C)CCNC(=O)NCc1ccc(C(C)(C)C)cc1	ZINC000852025216	DE	On-Demand	Anodyne	TRPV1	38	50
CCOc1cccc([C@@H](C)NC(=O)NCC2SCCS2)c1	ZINC000852025217	EG	On-Demand	Anodyne	PDS	46	42
CCOc1cccc([C@H](C)NC(=O)NCC2SCCS2)c1	ZINC000852025218	EG	On-Demand	Anodyne	PDS	46	42
CCOc1cccc([C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852025221	GE	On-Demand	Anodyne	PDS	62	40
CCOc1cccc([C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852025222	GE	On-Demand	Anodyne	PDS	62	40
O=C(NCC[S@](=O)CC(F)(F)F)NCc1noc(-c2cccs2)n1	ZINC000852025230	GD	On-Demand	Anodyne	ETHR	28	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1noc(-c2cccs2)n1	ZINC000852025231	GD	On-Demand	Anodyne	ETHR	28	40
COCCN(CCF)C(=O)NCc1ccc(C(C)(C)C)cc1	ZINC000852025255	DG	On-Demand	Anodyne	TRPV1	30	45
COCCN(CCF)C(=O)NCc1ccc(C(C)(C)C)cc1	ZINC000852025255	DG	On-Demand	Anodyne	MT-ND1	29	42
CCOc1cccc([C@@H](C)NC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852025256	EE	On-Demand	Anodyne	ACACA	16	40
CCOc1cccc([C@@H](C)NC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852025256	EE	On-Demand	Anodyne	ACACB	18	48
CCOc1cccc([C@@H](C)NC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852025256	EE	On-Demand	Anodyne	PDS	47	44
CCOc1cccc([C@H](C)NC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852025257	EE	On-Demand	Anodyne	ACACA	16	40
CCOc1cccc([C@H](C)NC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852025257	EE	On-Demand	Anodyne	ACACB	18	48
CCOc1cccc([C@H](C)NC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852025257	EE	On-Demand	Anodyne	PDS	47	44
COC(=O)c1nc(CNC(=O)NCc2ccc(C(C)(C)C)cc2)ccc1Cl	ZINC000852025261	GH	On-Demand	Anodyne	TRPV1	27	49
C[C@@H]1CCN(C(=O)NCc2cccc3cccnc23)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852025268	GF	On-Demand	Anodyne	P2RX7	40	37
C[C@@H]1CCN(C(=O)NCc2cccc3cccnc23)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852025268	GF	On-Demand	Anodyne	EPHX2	15	42
N#Cc1ccc(CCN2CCC[C@@](O)(c3cnn[nH]3)C2)cc1	ZINC000852025275	CD	On-Demand	Mild	KCNJ1	18	49
N#Cc1ccc(CCN2CCC[C@](O)(c3cnn[nH]3)C2)cc1	ZINC000852025276	CD	On-Demand	Mild	KCNJ1	18	49
COCCCNC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852025301	IG	On-Demand	Anodyne	ST14	48	35
COCCCNC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852025301	IG	On-Demand	Anodyne	TMPRSS6	70	35
COCCCNC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852025302	IG	On-Demand	Anodyne	ST14	48	35
COCCCNC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852025302	IG	On-Demand	Anodyne	TMPRSS6	70	35
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2c(F)cccc2Cl)O1	ZINC000852025305	FD	On-Demand	Reactive	P2RX7	49	48
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2c(F)cccc2Cl)O1	ZINC000852025306	FD	On-Demand	Reactive	P2RX7	49	48
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1ccc(F)cc1F	ZINC000852025322	FD	On-Demand	Reactive	P2RX7	36	41
COC(=O)N(C)CCNC(=O)NCc1ccc(F)cc1F	ZINC000852025324	DD	On-Demand	Anodyne	P2RX7	39	41
C#CCNC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852025386	HF	On-Demand	Mild	TMPRSS6	40	32
C#CCNC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852025387	HF	On-Demand	Mild	TMPRSS6	40	32
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccc(F)cc1F	ZINC000852025396	GF	On-Demand	Clean	P2RX7	56	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccc(F)cc1F	ZINC000852025396	GF	On-Demand	Clean	CCR3	29	41
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCc1ccc(F)cc1F)C2	ZINC000852025411	GG	On-Demand	Anodyne	P2RX7	52	39
COCCN(CCF)C(=O)NCc1ccc(F)cc1F	ZINC000852025419	CE	On-Demand	Anodyne	P2RX7	35	43
O=C1CCC2=C(CCN(C(=O)NCc3cccc(Cl)c3Cl)C2)N1	ZINC000852025481	FG	On-Demand	Anodyne	P2RX7	31	44
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1cccc2ccccc12	ZINC000852025546	GF	On-Demand	Reactive	MTNR1A	32	42
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)NCc1ccc(F)cc1F	ZINC000852025563	GD	On-Demand	Reactive	P2RX7	46	37
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(CCOCc3ccccc3)C[C@H]21	ZINC000852025626	GF	On-Demand	Anodyne	SLC6A1	41	36
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(CCOCc3ccccc3)C[C@H]21	ZINC000852025626	GF	On-Demand	Anodyne	CYP2J2	45	32
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(CCOCc3ccccc3)C[C@@H]21	ZINC000852025627	GF	On-Demand	Anodyne	SLC6A1	41	36
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(CCOCc3ccccc3)C[C@@H]21	ZINC000852025627	GF	On-Demand	Anodyne	CYP2J2	45	32
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]21	ZINC000852025628	GF	On-Demand	Anodyne	SLC6A1	41	36
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]21	ZINC000852025628	GF	On-Demand	Anodyne	CYP2J2	45	32
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(CCOCc3ccccc3)C[C@H]21	ZINC000852025629	GF	On-Demand	Anodyne	SLC6A1	41	36
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(CCOCc3ccccc3)C[C@H]21	ZINC000852025629	GF	On-Demand	Anodyne	CYP2J2	45	32
CC(C)(C)OC(=O)N1CCO[C@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C[C@H]21	ZINC000852025660	FG	On-Demand	Anodyne	SLC18A3	37	40
CC(C)(C)OC(=O)N1CCO[C@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C[C@@H]21	ZINC000852025661	FG	On-Demand	Anodyne	SLC18A3	37	40
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1cc(Cl)ccc1Cl	ZINC000852025674	FH	On-Demand	Anodyne	MAPK1	46	36
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1c(F)cccc1Cl	ZINC000852025675	GG	On-Demand	Clean	P2RX7	23	47
O=C(NCc1cccc(Cl)c1Cl)N1CCC(N2CCOC2=O)CC1	ZINC000852025701	FG	On-Demand	Anodyne	P2RX7	44	45
O=C(NCc1ccc(F)cc1F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852025714	ED	On-Demand	Anodyne	P2RX7	39	42
O=C(NCc1ccc(F)cc1F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852025715	ED	On-Demand	Anodyne	P2RX7	39	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)cc3F)C2)cc1	ZINC000852025728	FG	On-Demand	Clean	P2RX7	48	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)cc3F)C2)cc1	ZINC000852025728	FG	On-Demand	Clean	CCR3	37	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)cc3F)C2)cc1	ZINC000852025728	FG	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)cc3F)C2)cc1	ZINC000852025728	FG	On-Demand	Clean	MCHR1	17	44
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC2(CC(N)=O)CCCCC2)CC1	ZINC000852025780	GF	On-Demand	Anodyne	EPHX2	31	49
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC2(CC(N)=O)CCCCC2)CC1	ZINC000852025780	GF	On-Demand	Anodyne	GPR119	27	40
C=CCOCCCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852025793	EE	On-Demand	Mild	EPHX2	22	46
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC[C@@H](CCF)C2)CC1	ZINC000852025806	FG	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC[C@H](CCF)C2)CC1	ZINC000852025807	FG	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCCC2CCC2)CC1	ZINC000852025814	EG	On-Demand	Anodyne	EPHX2	31	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCCC2CCC2)CC1	ZINC000852025814	EG	On-Demand	Anodyne	GPR119	36	46
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(c3ccco3)CC2)CC1	ZINC000852025815	GH	On-Demand	Anodyne	EPHX2	28	43
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(c3ccco3)CC2)CC1	ZINC000852025815	GH	On-Demand	Anodyne	GPR119	40	41
COC(=O)N(C)CCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852025816	FD	On-Demand	Anodyne	EPHX2	21	40
COC1CC(CCNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852025832	FF	On-Demand	Anodyne	EPHX2	27	49
COC1CC(CCNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852025832	FF	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(C3CCC3)CC2)CC1	ZINC000852025839	FH	On-Demand	Anodyne	EPHX2	24	47
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(C3CCC3)CC2)CC1	ZINC000852025839	FH	On-Demand	Anodyne	GPR119	35	49
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@H]2CCOC2(C)C)CC1	ZINC000852025841	FF	On-Demand	Anodyne	EPHX2	18	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2CCOC2(C)C)CC1	ZINC000852025842	FF	On-Demand	Anodyne	EPHX2	18	48
O=C(NCCc1nsc2ccccc12)NCCN1C(=O)CSC1=O	ZINC000852025843	FD	On-Demand	Anodyne	DRD2	15	52
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCC2SCCS2)CC1	ZINC000852025858	GF	On-Demand	Anodyne	EPHX2	26	50
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1	ZINC000852025859	FF	On-Demand	Anodyne	EPHX2	31	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1	ZINC000852025859	FF	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@H]2C(C)(C)C2(F)F)CC1	ZINC000852025860	FF	On-Demand	Anodyne	EPHX2	31	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@H]2C(C)(C)C2(F)F)CC1	ZINC000852025860	FF	On-Demand	Anodyne	GPR119	29	40
CCC(CC)(CNC(=O)NCCN1C(=O)CSC1=O)c1ccc(F)cc1	ZINC000852025861	GF	On-Demand	Anodyne	CACNA1G	38	44
CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852025864	EE	On-Demand	Anodyne	EPHX2	44	43
CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852025864	EE	On-Demand	Anodyne	GPR119	36	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccc(F)cc2F)O1	ZINC000852025903	EC	On-Demand	Reactive	P2RX7	76	43
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccc(F)cc2F)O1	ZINC000852025904	EC	On-Demand	Reactive	P2RX7	76	43
CC[C@H](C)NC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852025912	HI	On-Demand	Anodyne	TMPRSS6	40	32
CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852025913	HI	On-Demand	Anodyne	TMPRSS6	40	32
C[C@H]1c2ccccc2C[C@H]1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852025949	FG	On-Demand	Anodyne	EPHX2	38	41
C[C@H]1c2ccccc2C[C@H]1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852025949	FG	On-Demand	Anodyne	CCR8	20	41
C[C@H]1c2ccccc2C[C@H]1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852025949	FG	On-Demand	Anodyne	GPR119	43	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCN(C3CCCCC3)C2)CC1	ZINC000852025951	GG	On-Demand	Anodyne	EPHX2	29	49
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1	ZINC000852025953	GG	On-Demand	Anodyne	EPHX2	29	49
O=C(NCc1ccc(F)cc1F)N[C@@H]1C=CCC1	ZINC000852025954	CE	On-Demand	Anodyne	P2RX7	60	42
O=C(NCc1ccc(F)cc1F)N[C@H]1C=CCC1	ZINC000852025956	CE	On-Demand	Anodyne	P2RX7	60	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852025959	DE	On-Demand	Anodyne	EPHX2	39	40
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852025959	DE	On-Demand	Anodyne	GPR119	36	44
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852025961	DE	On-Demand	Anodyne	EPHX2	39	40
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852025961	DE	On-Demand	Anodyne	GPR119	36	44
O=C(NCc1cccc(Cl)c1Cl)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852025966	FF	On-Demand	Anodyne	P2RX7	58	48
O=C(NCc1cccc(Cl)c1Cl)N1CC[C@H](N2CCOC2=O)C1	ZINC000852025968	FF	On-Demand	Anodyne	P2RX7	58	48
CN(Cc1cnc[nH]1)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852025982	ED	On-Demand	Anodyne	GPR119	41	40
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]3COC[C@@H]3C2)CC1	ZINC000852025992	FE	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1	ZINC000852025994	FE	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]3COC[C@H]3C2)CC1	ZINC000852025995	FE	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]3COC[C@H]3C2)CC1	ZINC000852025997	FE	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852026009	GF	On-Demand	Anodyne	EPHX2	29	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852026009	GF	On-Demand	Anodyne	CACNA1I	54	38
CC(C)(C)OC(=O)N1CCC(NC(=O)NCc2nc(C(N)=O)cs2)CC1	ZINC000852026014	GD	On-Demand	Anodyne	EPHX2	29	48
CC[C@@H](C)CCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026031	EG	On-Demand	Anodyne	EPHX2	26	48
CC[C@@H](C)CCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026031	EG	On-Demand	Anodyne	GPR119	28	42
C[C@@H](NC(=O)NCCS(C)(=O)=O)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852026035	GG	On-Demand	Anodyne	ACACA	19	40
C[C@@H](NC(=O)NCCS(C)(=O)=O)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852026035	GG	On-Demand	Anodyne	ACACB	18	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2noc3ccccc23)CC1	ZINC000852026041	GG	On-Demand	Anodyne	EPHX2	30	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2noc3ccccc23)CC1	ZINC000852026041	GG	On-Demand	Anodyne	CCR8	32	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2noc3ccccc23)CC1	ZINC000852026041	GG	On-Demand	Anodyne	GPR119	43	40
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2COC3(CCC3)C2)CC1	ZINC000852026042	FE	On-Demand	Anodyne	EPHX2	22	50
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H]2COC3(CCC3)C2)CC1	ZINC000852026043	FE	On-Demand	Anodyne	EPHX2	22	50
Cn1ncc(C2CC2)c1CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026045	GE	On-Demand	Anodyne	GPR119	45	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCOc3ccc(O)cc3C2)CC1	ZINC000852026048	GF	On-Demand	Anodyne	GPR119	34	44
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H](CO)c2ccc(F)cc2F)CC1	ZINC000852026057	GF	On-Demand	Anodyne	GPR119	50	49
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H](CO)c2ccc(F)cc2F)CC1	ZINC000852026058	GF	On-Demand	Anodyne	GPR119	50	49
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCCS(C)(=O)=O)CCC2	ZINC000852026062	FD	On-Demand	Anodyne	NQO2	22	41
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCCS(C)(=O)=O)CCC2	ZINC000852026062	FD	On-Demand	Anodyne	HTR6	25	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCCS(C)(=O)=O)CCC2	ZINC000852026063	FD	On-Demand	Anodyne	NQO2	22	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCCS(C)(=O)=O)CCC2	ZINC000852026063	FD	On-Demand	Anodyne	HTR6	25	41
CCC(CC)NC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852026084	IJ	On-Demand	Anodyne	TMPRSS6	44	32
O=C(NCc1cccc(Cl)c1Cl)N[C@H]1COC2(CCC2)C1	ZINC000852026095	EH	On-Demand	Anodyne	P2RX7	29	42
O=C(NCc1cccc(Cl)c1Cl)N[C@@H]1COC2(CCC2)C1	ZINC000852026096	EH	On-Demand	Anodyne	P2RX7	29	42
COCCN(CCF)C(=O)NCc1cccc2ccccc12	ZINC000852026098	DF	On-Demand	Anodyne	AMP1_PLAFQ	19	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N2C[C@H]3CC[C@@H](C3)C2)CC1	ZINC000852026123	EF	On-Demand	Anodyne	EPHX2	16	53
CC(C)(C)OC(=O)N1CCC(NC(=O)N2C[C@H]3CC[C@@H](C3)C2)CC1	ZINC000852026123	EF	On-Demand	Anodyne	GPR119	30	40
O=C(NCc1ccc(F)cc1F)NCC1SCCS1	ZINC000852026129	DF	On-Demand	Anodyne	P2RX7	47	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852026133	EC	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852026135	EC	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852026161	GH	On-Demand	Anodyne	GPR119	45	47
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852026162	GH	On-Demand	Anodyne	GPR119	45	47
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCc3nccnc3C2)CC1	ZINC000852026165	FD	On-Demand	Anodyne	EPHX2	20	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCc3nccnc3C2)CC1	ZINC000852026165	FD	On-Demand	Anodyne	GPR119	46	49
COc1cccc([C@]2(C)CCN(C(=O)NCCS(C)(=O)=O)C2)c1	ZINC000852026177	ED	On-Demand	Anodyne	DRD4	44	34
COc1cccc([C@]2(C)CCN(C(=O)NCCS(C)(=O)=O)C2)c1	ZINC000852026177	ED	On-Demand	Anodyne	MTNR1A	44	36
COc1cccc([C@]2(C)CCN(C(=O)NCCS(C)(=O)=O)C2)c1	ZINC000852026177	ED	On-Demand	Anodyne	MTNR1B	42	37
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026195	GH	On-Demand	Anodyne	GPR119	42	51
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026197	GH	On-Demand	Anodyne	GPR119	42	51
O=C(NCc1ccc(F)cc1F)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852026198	FC	On-Demand	Reactive	P2RX7	32	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC([C@H]3CCCCO3)CC2)CC1	ZINC000852026221	GG	On-Demand	Anodyne	GPR119	20	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC([C@@H]3CCCCO3)CC2)CC1	ZINC000852026222	GG	On-Demand	Anodyne	GPR119	20	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCC3(CC2)CC3(F)F)CC1	ZINC000852026229	GH	On-Demand	Anodyne	EPHX2	37	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCC3(CC2)CC3(F)F)CC1	ZINC000852026229	GH	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC(NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852026231	FH	On-Demand	Anodyne	EPHX2	30	43
CC(C)(C)OC(=O)N1CCC(NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852026231	FH	On-Demand	Anodyne	GPR119	45	39
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026265	EH	On-Demand	Anodyne	EPHX2	33	50
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026265	EH	On-Demand	Anodyne	GPR119	41	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC[C@@]2(C)CC2(F)F)CC1	ZINC000852026272	FG	On-Demand	Anodyne	EPHX2	28	49
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC[C@]2(C)CC2(F)F)CC1	ZINC000852026273	FG	On-Demand	Anodyne	EPHX2	28	49
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCCS(C)(=O)=O	ZINC000852026294	FD	On-Demand	Anodyne	MDM2	112	35
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC2=CCCC2)CC1	ZINC000852026300	DF	On-Demand	Anodyne	EPHX2	35	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC2=CCCC2)CC1	ZINC000852026300	DF	On-Demand	Anodyne	GPR119	40	40
CCSC1(CNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000852026302	FF	On-Demand	Anodyne	EPHX2	30	48
CCSC1(CNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000852026302	FF	On-Demand	Anodyne	GPR119	38	40
COCCN(CCF)C(=O)NCc1cccc(Cl)c1Cl	ZINC000852026314	DG	On-Demand	Anodyne	P2RX7	35	42
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)CC1	ZINC000852026316	GE	On-Demand	Anodyne	EPHX2	26	45
C=CCCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026318	CE	On-Demand	Mild	EPHX2	27	49
COCc1csc(CNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852026326	GG	On-Demand	Anodyne	GPR119	41	38
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(C)(=O)=O)C1	ZINC000852026330	EC	On-Demand	Anodyne	CCR5	41	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(C)(=O)=O)C1	ZINC000852026330	EC	On-Demand	Anodyne	SFRP1	55	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(C)(=O)=O)C1	ZINC000852026330	EC	On-Demand	Anodyne	WNT3	41	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(C)(=O)=O)C1	ZINC000852026332	EC	On-Demand	Anodyne	CCR5	41	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(C)(=O)=O)C1	ZINC000852026332	EC	On-Demand	Anodyne	SFRP1	55	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(C)(=O)=O)C1	ZINC000852026332	EC	On-Demand	Anodyne	WNT3	41	36
O=C(NCc1cccc(Cl)c1Cl)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852026353	FH	On-Demand	Anodyne	P2RX7	35	42
Cc1ccncc1CCNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026363	FF	On-Demand	Anodyne	GPR119	49	44
O=C(NCc1cccc(Cl)c1Cl)N[C@H]1C=CCC1	ZINC000852026378	CH	On-Demand	Anodyne	P2RX7	53	46
O=C(NCc1cccc(Cl)c1Cl)N[C@@H]1C=CCC1	ZINC000852026379	CH	On-Demand	Anodyne	P2RX7	53	46
O=C(NCCC1SCCS1)NCc1ccc(F)cc1F	ZINC000852026393	DF	On-Demand	Anodyne	P2RX7	39	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1	ZINC000852026415	FF	On-Demand	Anodyne	EPHX2	28	51
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1	ZINC000852026417	FF	On-Demand	Anodyne	EPHX2	28	51
COC(=O)N(C)CCNC(=O)NCc1cccc2ccccc12	ZINC000852026418	DE	On-Demand	Anodyne	MTNR1A	42	51
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852026431	GG	On-Demand	Anodyne	ADAM17	23	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852026431	GG	On-Demand	Anodyne	EPHX2	36	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852026431	GG	On-Demand	Anodyne	CCR8	38	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852026431	GG	On-Demand	Anodyne	GPR119	45	44
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC2(C#N)CCCCC2)CC1	ZINC000852026442	FG	On-Demand	Mild	EPHX2	29	49
COC(=O)c1ccc(CNC(=O)NCCS(C)(=O)=O)c(F)c1	ZINC000852026454	EC	On-Demand	Anodyne	TRPV1	58	32
CC(C)(C)OC(=O)N1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852026466	ED	On-Demand	Anodyne	GRIN2B	22	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852026466	ED	On-Demand	Anodyne	EPHX2	45	49
CC(C)(C)OC(=O)N1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852026466	ED	On-Demand	Anodyne	GPR119	57	53
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCO[C@@H]2CC2(F)F)CC1	ZINC000852026467	FE	On-Demand	Anodyne	EPHX2	34	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCO[C@H]2CC2(F)F)CC1	ZINC000852026468	FE	On-Demand	Anodyne	EPHX2	34	40
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852026500	FD	On-Demand	Reactive	HCN1	49	36
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852026500	FD	On-Demand	Reactive	HCN4	40	35
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852026501	FD	On-Demand	Reactive	HCN1	49	36
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852026501	FD	On-Demand	Reactive	HCN4	40	35
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852026502	FD	On-Demand	Reactive	HCN1	49	36
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852026502	FD	On-Demand	Reactive	HCN4	40	35
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852026503	FD	On-Demand	Reactive	HCN1	49	36
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852026503	FD	On-Demand	Reactive	HCN4	40	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852026531	GE	On-Demand	Anodyne	NOS2	96	36
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852026531	GE	On-Demand	Anodyne	MCHR1	19	40
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852026532	GE	On-Demand	Anodyne	NOS2	96	36
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852026532	GE	On-Demand	Anodyne	MCHR1	19	40
CCOc1ccccc1[C@@H](C)NC(=O)N1CCn2ncc(Br)c2C1	ZINC000852026537	GG	On-Demand	Anodyne	HCN1	49	35
CCOc1ccccc1[C@@H](C)NC(=O)N1CCn2ncc(Br)c2C1	ZINC000852026537	GG	On-Demand	Anodyne	HCN4	40	35
CCOc1ccccc1[C@H](C)NC(=O)N1CCn2ncc(Br)c2C1	ZINC000852026538	GG	On-Demand	Anodyne	HCN1	49	35
CCOc1ccccc1[C@H](C)NC(=O)N1CCn2ncc(Br)c2C1	ZINC000852026538	GG	On-Demand	Anodyne	HCN4	40	35
CCCOc1ccc([C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852026564	GH	On-Demand	Anodyne	ACACA	25	49
CCCOc1ccc([C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852026564	GH	On-Demand	Anodyne	ACACB	25	49
CCCOc1ccc([C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852026565	GH	On-Demand	Anodyne	ACACA	25	49
CCCOc1ccc([C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852026565	GH	On-Demand	Anodyne	ACACB	25	49
CCCOc1ccc([C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852026566	GH	On-Demand	Anodyne	ACACA	25	49
CCCOc1ccc([C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852026566	GH	On-Demand	Anodyne	ACACB	25	49
CCCOc1ccc([C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852026567	GH	On-Demand	Anodyne	ACACA	25	49
CCCOc1ccc([C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852026567	GH	On-Demand	Anodyne	ACACB	25	49
CCCOc1ccc([C@@H](C)NC(=O)NCCC2SCCS2)cc1	ZINC000852026574	FI	On-Demand	Anodyne	ACACA	27	52
CCCOc1ccc([C@@H](C)NC(=O)NCCC2SCCS2)cc1	ZINC000852026574	FI	On-Demand	Anodyne	ACACB	28	52
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CC1	ZINC000852026576	GH	On-Demand	Anodyne	EPHX2	56	49
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CC1	ZINC000852026576	GH	On-Demand	Anodyne	CCR8	20	40
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CC1	ZINC000852026576	GH	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852026577	FF	On-Demand	Mild	EPHX2	31	43
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852026577	FF	On-Demand	Mild	GPR119	48	46
C[C@@H](NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1nccn1C	ZINC000852026578	FE	On-Demand	Anodyne	GPR119	44	47
C[C@H](NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1nccn1C	ZINC000852026579	FE	On-Demand	Anodyne	GPR119	44	47
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccoc2)CC1	ZINC000852026591	EF	On-Demand	Anodyne	EPHX2	34	44
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccoc2)CC1	ZINC000852026591	EF	On-Demand	Anodyne	GPR119	47	40
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC[C@H](C3CCC3)C2)CC1	ZINC000852026596	FH	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC[C@@H](C3CCC3)C2)CC1	ZINC000852026597	FH	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852026598	GG	On-Demand	Anodyne	EPHX2	84	46
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852026598	GG	On-Demand	Anodyne	CCR8	30	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852026598	GG	On-Demand	Anodyne	GPR119	53	44
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852026598	GG	On-Demand	Anodyne	SFRP1	67	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852026598	GG	On-Demand	Anodyne	WNT3	47	36
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000852026619	DE	On-Demand	Anodyne	GPR119	36	47
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]3C[C@H]3C2)CC1	ZINC000852026620	DE	On-Demand	Anodyne	GPR119	36	47
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]3C[C@@H]3C2)CC1	ZINC000852026622	DE	On-Demand	Anodyne	GPR119	36	47
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]3C[C@H]3C2)CC1	ZINC000852026624	DE	On-Demand	Anodyne	GPR119	36	47
CC(C)c1ccc2c(c1)CN(C(=O)NCCS(C)(=O)=O)CC2	ZINC000852026626	DD	On-Demand	Anodyne	MAPK1	41	33
CC(C)(C)OC(=O)N1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852026645	FF	On-Demand	Reactive	EPHX2	39	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852026645	FF	On-Demand	Reactive	GPR119	55	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852026672	FF	On-Demand	Anodyne	EPHX2	36	43
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852026672	FF	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852026679	FF	On-Demand	Anodyne	EPHX2	36	43
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852026679	FF	On-Demand	Anodyne	GPR119	41	42
C#C[C@H](NC(=O)NCc1cccc(Cl)c1Cl)C1CCOCC1	ZINC000852026710	EG	On-Demand	Mild	P2RX7	31	42
C#C[C@@H](NC(=O)NCc1cccc(Cl)c1Cl)C1CCOCC1	ZINC000852026711	EG	On-Demand	Mild	P2RX7	31	42
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026721	EG	On-Demand	Mild	GPR119	33	40
COC(=O)N(C)CCNC(=O)NCc1cccc(Cl)c1Cl	ZINC000852026733	EE	On-Demand	Anodyne	P2RX7	26	41
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026734	GF	On-Demand	Anodyne	EPHX2	17	45
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026736	GF	On-Demand	Anodyne	EPHX2	17	45
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@]2(C)CC2(F)F)CC1	ZINC000852026750	EF	On-Demand	Anodyne	EPHX2	39	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@]2(C)CC2(F)F)CC1	ZINC000852026750	EF	On-Demand	Anodyne	GPR119	43	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc(Cl)c2Cl)O1	ZINC000852026751	GD	On-Demand	Reactive	P2RX7	82	50
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@]2(C)CC2(F)F)CC1	ZINC000852026752	EF	On-Demand	Anodyne	EPHX2	39	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@]2(C)CC2(F)F)CC1	ZINC000852026752	EF	On-Demand	Anodyne	GPR119	43	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc(Cl)c2Cl)O1	ZINC000852026755	GD	On-Demand	Reactive	P2RX7	82	50
O=C(NCc1ccc(F)cc1F)N1CCC(N2CCOC2=O)CC1	ZINC000852026760	EE	On-Demand	Anodyne	P2RX7	33	42
CCCOc1ccc([C@H](C)NC(=O)NCCC2SCCS2)cc1	ZINC000852026775	FI	On-Demand	Anodyne	ACACA	27	52
CCCOc1ccc([C@H](C)NC(=O)NCCC2SCCS2)cc1	ZINC000852026775	FI	On-Demand	Anodyne	ACACB	28	52
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852026782	FD	On-Demand	Reactive	BMP1	57	36
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852026782	FD	On-Demand	Reactive	NOS2	93	39
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852026783	FD	On-Demand	Reactive	BMP1	57	36
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852026783	FD	On-Demand	Reactive	NOS2	93	39
C#C[C@@H](NC(=O)NC(Cc1ccccc1)Cc1ccccc1)C1CCOCC1	ZINC000852026800	GH	On-Demand	Mild	MME	47	38
C#C[C@H](NC(=O)NC(Cc1ccccc1)Cc1ccccc1)C1CCOCC1	ZINC000852026801	GH	On-Demand	Mild	MME	47	38
O[C@@]1(c2cnn[nH]2)CCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852026807	CD	On-Demand	Anodyne	EBP	17	41
O[C@]1(c2cnn[nH]2)CCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852026808	CD	On-Demand	Anodyne	EBP	17	41
O[C@]1(c2cnn[nH]2)CCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852026809	CD	On-Demand	Anodyne	EBP	17	41
O[C@@]1(c2cnn[nH]2)CCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852026810	CD	On-Demand	Anodyne	EBP	17	41
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852026811	EC	On-Demand	Reactive	HCN1	57	37
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852026811	EC	On-Demand	Reactive	HCN4	50	37
CCOc1ccccc1[C@@H](C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852026812	EC	On-Demand	Reactive	HCN1	57	37
CCOc1ccccc1[C@@H](C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852026812	EC	On-Demand	Reactive	HCN4	50	37
O=C(NCCCc1cccc(Cl)c1)N[C@H]1C=CCC1	ZINC000852026827	CG	On-Demand	Anodyne	SLC6A5	16	42
O=C(NCCCc1cccc(Cl)c1)N[C@@H]1C=CCC1	ZINC000852026828	CG	On-Demand	Anodyne	SLC6A5	16	42
CCOc1ccccc1[C@H](C)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852026832	FG	On-Demand	Anodyne	HCN1	62	37
CCOc1ccccc1[C@H](C)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852026832	FG	On-Demand	Anodyne	HCN4	55	37
CCOc1ccccc1[C@@H](C)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852026833	FG	On-Demand	Anodyne	HCN1	62	37
CCOc1ccccc1[C@@H](C)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852026833	FG	On-Demand	Anodyne	HCN4	55	37
O=C(NCCCOc1ccc(F)cc1)N[C@@H]1C=CCC1	ZINC000852026834	CF	On-Demand	Anodyne	CCR3	22	40
O=C(NCCCOc1ccc(F)cc1)N[C@@H]1C=CCC1	ZINC000852026834	CF	On-Demand	Anodyne	EPHX2	15	50
O=C(NCCCOc1ccc(F)cc1)N[C@H]1C=CCC1	ZINC000852026835	CF	On-Demand	Anodyne	CCR3	22	40
O=C(NCCCOc1ccc(F)cc1)N[C@H]1C=CCC1	ZINC000852026835	CF	On-Demand	Anodyne	EPHX2	15	50
CCCOc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852026840	GD	On-Demand	Reactive	ACACA	15	46
CCCOc1ccc([C@@H](C)NC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852026840	GD	On-Demand	Reactive	ACACB	16	46
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852026841	GD	On-Demand	Reactive	ACACA	15	46
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852026841	GD	On-Demand	Reactive	ACACB	16	46
O=C1CCC2=C(CCN(C(=O)NC(Cc3ccccc3)Cc3ccccc3)C2)N1	ZINC000852026849	GG	On-Demand	Anodyne	MME	75	38
O=C1CCC2=C(CCN(C(=O)NC(Cc3ccccc3)Cc3ccccc3)C2)N1	ZINC000852026849	GG	On-Demand	Anodyne	AMP1_PLAFQ	24	41
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852026850	FC	On-Demand	Reactive	BMP1	54	34
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852026850	FC	On-Demand	Reactive	NOS2	88	34
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852026851	FC	On-Demand	Reactive	BMP1	54	34
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852026851	FC	On-Demand	Reactive	NOS2	88	34
CCCOc1ccc([C@H](C)NC(=O)N(C)CCN(C)C(=O)OC)cc1	ZINC000852026856	FF	On-Demand	Anodyne	ACACA	31	57
CCCOc1ccc([C@H](C)NC(=O)N(C)CCN(C)C(=O)OC)cc1	ZINC000852026856	FF	On-Demand	Anodyne	ACACB	32	57
CCCOc1ccc([C@@H](C)NC(=O)N(C)CCN(C)C(=O)OC)cc1	ZINC000852026857	FF	On-Demand	Anodyne	ACACA	31	57
CCCOc1ccc([C@@H](C)NC(=O)N(C)CCN(C)C(=O)OC)cc1	ZINC000852026857	FF	On-Demand	Anodyne	ACACB	32	57
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCCc1cccc(Cl)c1	ZINC000852026860	GF	On-Demand	Reactive	CRTM	35	41
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCCC1SCCS1	ZINC000852026863	FG	On-Demand	Anodyne	BMP1	51	37
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCCC1SCCS1	ZINC000852026863	FG	On-Demand	Anodyne	NOS2	87	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCCC1SCCS1	ZINC000852026864	FG	On-Demand	Anodyne	BMP1	51	37
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCCC1SCCS1	ZINC000852026864	FG	On-Demand	Anodyne	NOS2	87	35
CCOc1ccccc1[C@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852026868	FF	On-Demand	Anodyne	HCN1	49	35
CCOc1ccccc1[C@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852026868	FF	On-Demand	Anodyne	HCN4	42	34
CCOc1ccccc1[C@@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852026869	FF	On-Demand	Anodyne	HCN1	49	35
CCOc1ccccc1[C@@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852026869	FF	On-Demand	Anodyne	HCN4	42	34
CCOc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852026872	GH	On-Demand	Clean	HCN1	67	37
CCOc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852026872	GH	On-Demand	Clean	HCN4	53	36
CCOc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852026873	GH	On-Demand	Clean	HCN1	67	37
CCOc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852026873	GH	On-Demand	Clean	HCN4	53	36
O=C(NCCN1C(=O)CSC1=O)NCC1CCN(CC2CC2)CC1	ZINC000852026896	FD	On-Demand	Anodyne	CACNA1I	42	35
CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1	ZINC000852026903	GD	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1	ZINC000852026904	GD	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC[C@@H]2CS(C)(=O)=O)CC1	ZINC000852026909	GD	On-Demand	Anodyne	WNT3	42	36
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026910	GG	On-Demand	Anodyne	EPHX2	54	48
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026910	GG	On-Demand	Anodyne	GPR119	36	42
CC[C@@H](NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000852026916	EF	On-Demand	Anodyne	EPHX2	26	43
CC[C@@H](NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000852026916	EF	On-Demand	Anodyne	GPR119	29	41
CCCCCNC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852026945	IJ	On-Demand	Anodyne	ST14	50	36
CCCCCNC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852026945	IJ	On-Demand	Anodyne	TMPRSS6	73	36
Cn1ncc(C2CCC2)c1CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026946	GF	On-Demand	Anodyne	GPR119	43	39
CCCCCNC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852026948	IJ	On-Demand	Anodyne	ST14	50	36
CCCCCNC(=O)[C@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1C	ZINC000852026948	IJ	On-Demand	Anodyne	TMPRSS6	73	36
C[C@H]1c2ccccc2OCCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026951	GH	On-Demand	Anodyne	GPR119	35	41
C[C@H]1c2ccccc2OCCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852026951	GH	On-Demand	Anodyne	WNT3	42	35
C[C@@H](NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1cscn1	ZINC000852026977	FF	On-Demand	Anodyne	GPR119	46	42
C[C@H](NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1cscn1	ZINC000852026979	FF	On-Demand	Anodyne	GPR119	46	42
O=C(NCCC1SCCS1)NCc1cccc2ccccc12	ZINC000852026982	EH	On-Demand	Anodyne	MTNR1A	17	46
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852026985	GF	On-Demand	Anodyne	EPHX2	20	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852026985	GF	On-Demand	Anodyne	GPR119	42	40
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852026985	GF	On-Demand	Anodyne	SMO	24	40
COc1ccc(N2CC[C@H](NC(=O)NCCS(C)(=O)=O)C2)cc1	ZINC000852027001	EC	On-Demand	Clean	MTNR1A	23	48
COc1ccc(N2CC[C@H](NC(=O)NCCS(C)(=O)=O)C2)cc1	ZINC000852027001	EC	On-Demand	Clean	MTNR1B	15	48
O[C@@]1(c2cnn[nH]2)CCCN(CCCC2CCC2)C1	ZINC000852027040	CD	On-Demand	Anodyne	EBP	15	42
O[C@]1(c2cnn[nH]2)CCCN(CCCC2CCC2)C1	ZINC000852027041	CD	On-Demand	Anodyne	EBP	15	42
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1ccc(F)cc1F	ZINC000852027045	FD	On-Demand	Anodyne	TRPV1	85	35
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852027081	FE	On-Demand	Anodyne	BMP1	56	37
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852027081	FE	On-Demand	Anodyne	NOS2	58	33
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852027082	FE	On-Demand	Anodyne	BMP1	56	37
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852027082	FE	On-Demand	Anodyne	NOS2	58	33
O=C(NCCCOc1ccc(F)cc1)NCC1SCCS1	ZINC000852027086	EF	On-Demand	Anodyne	EPHX2	17	58
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc2ccccc12	ZINC000852027103	GH	On-Demand	Clean	AMP1_PLAFQ	27	44
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc2ccccc12	ZINC000852027103	GH	On-Demand	Clean	STAT6	24	41
CCOc1ccccc1[C@H](C)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027110	EE	On-Demand	Anodyne	HCN1	40	35
CCOc1ccccc1[C@@H](C)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027111	EE	On-Demand	Anodyne	HCN1	40	35
CCOc1ccccc1[C@H](C)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027112	EE	On-Demand	Anodyne	HCN1	40	35
CCOc1ccccc1[C@@H](C)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027113	EE	On-Demand	Anodyne	HCN1	40	35
CCCOc1ccc([C@@H](C)NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852027114	EH	On-Demand	Anodyne	ACACA	26	49
CCCOc1ccc([C@@H](C)NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852027114	EH	On-Demand	Anodyne	ACACB	27	49
CCCOc1ccc([C@H](C)NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852027115	EH	On-Demand	Anodyne	ACACA	26	49
CCCOc1ccc([C@H](C)NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852027115	EH	On-Demand	Anodyne	ACACB	27	49
CCCOc1ccc([C@H](C)NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852027116	EH	On-Demand	Anodyne	ACACA	26	49
CCCOc1ccc([C@H](C)NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852027116	EH	On-Demand	Anodyne	ACACB	27	49
CCCOc1ccc([C@@H](C)NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852027117	EH	On-Demand	Anodyne	ACACA	26	49
CCCOc1ccc([C@@H](C)NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852027117	EH	On-Demand	Anodyne	ACACB	27	49
COC(=O)N(C)CCNC(=O)N[C@H](C)CCc1ccc2c(c1)OCO2	ZINC000852027122	FD	On-Demand	Anodyne	BMP1	67	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CCc1ccc2c(c1)OCO2	ZINC000852027122	FD	On-Demand	Anodyne	NOS2	71	33
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2	ZINC000852027123	FD	On-Demand	Anodyne	BMP1	67	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2	ZINC000852027123	FD	On-Demand	Anodyne	NOS2	71	33
O=C(NCCCc1cccc(Cl)c1)NCc1ncccn1	ZINC000852027126	DF	On-Demand	Anodyne	SCNN1A	55	38
O=C(NCCCc1cccc(Cl)c1)NCc1ncccn1	ZINC000852027126	DF	On-Demand	Anodyne	MTNR1A	20	40
O=C(NCCCc1cccc(Cl)c1)NCc1ncccn1	ZINC000852027126	DF	On-Demand	Anodyne	MTNR1B	23	40
O=C(NCCCc1cccc(Cl)c1)NCc1ncccn1	ZINC000852027126	DF	On-Demand	Anodyne	CRTM	40	40
CO[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852027141	CC	On-Demand	Anodyne	AURKB	22	41
CO[C@@H]1C[C@@H](CO)N(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852027141	CC	On-Demand	Anodyne	AURKC	16	41
O=C(NCCCOc1ccc(F)cc1)NCc1ncccn1	ZINC000852027167	DD	On-Demand	Anodyne	DRD4	15	43
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@H]2COC(C)(C)C2)CC1	ZINC000852027177	EE	On-Demand	Anodyne	EPHX2	26	52
CC(C)(C)OC(=O)N1CCC(NC(=O)N[C@@H]2COC(C)(C)C2)CC1	ZINC000852027179	EE	On-Demand	Anodyne	EPHX2	26	52
O=C(NCc1cccc(Cl)c1Cl)NCC1SCCS1	ZINC000852027197	EH	On-Demand	Anodyne	P2RX7	47	46
CCC(CC)(CNC(=O)NCCS(C)(=O)=O)c1ccc(F)cc1	ZINC000852027215	EE	On-Demand	Anodyne	CACNA1G	38	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852027217	GD	On-Demand	Anodyne	EPHX2	18	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852027217	GD	On-Demand	Anodyne	GPR119	36	44
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852027219	GD	On-Demand	Anodyne	EPHX2	18	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852027219	GD	On-Demand	Anodyne	GPR119	36	44
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852027221	GD	On-Demand	Anodyne	EPHX2	18	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852027221	GD	On-Demand	Anodyne	GPR119	36	44
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852027223	GD	On-Demand	Anodyne	EPHX2	18	45
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852027223	GD	On-Demand	Anodyne	GPR119	36	44
COc1cccc(OC)c1CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852027235	GF	On-Demand	Anodyne	DRD2	21	41
COc1cccc(OC)c1CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852027235	GF	On-Demand	Anodyne	EPHX2	55	40
COc1cccc(OC)c1CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852027235	GF	On-Demand	Anodyne	GPR119	49	45
C[C@@H]1CCN(C(=O)NCc2ccc(F)cc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852027240	GF	On-Demand	Anodyne	P2RX7	36	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCCc2ccco2)CC1	ZINC000852027241	FF	On-Demand	Anodyne	EPHX2	33	42
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCCc2ccco2)CC1	ZINC000852027241	FF	On-Demand	Anodyne	GPR119	39	40
C[C@@H]1CCN(C(=O)NCc2c(F)cccc2Cl)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852027307	GG	On-Demand	Anodyne	P2RX7	20	45
C[C@@H]1CCN(C(=O)NCc2c(F)cccc2Cl)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852027307	GG	On-Demand	Anodyne	EPHX2	17	43
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852027366	GE	On-Demand	Anodyne	BMP1	41	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852027366	GE	On-Demand	Anodyne	NOS2	51	32
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852027368	GE	On-Demand	Anodyne	BMP1	41	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852027368	GE	On-Demand	Anodyne	NOS2	51	32
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852027369	GE	On-Demand	Anodyne	BMP1	41	35
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852027369	GE	On-Demand	Anodyne	NOS2	51	32
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852027370	GE	On-Demand	Anodyne	BMP1	41	35
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852027370	GE	On-Demand	Anodyne	NOS2	51	32
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC)cc3OC)C2)cc1	ZINC000852027376	GF	On-Demand	Clean	MTNR1A	94	48
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC)cc3OC)C2)cc1	ZINC000852027376	GF	On-Demand	Clean	MTNR1B	74	48
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC)cc3OC)C2)cc1	ZINC000852027376	GF	On-Demand	Clean	MCHR1	17	46
CN(C[C@@H]1CCc2ccccc21)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852027388	GH	On-Demand	Anodyne	GPR119	37	40
O=C(NCc1cccc(Cl)c1Cl)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852027407	GD	On-Demand	Reactive	P2RX7	42	48
CCCOc1ccc([C@H](C)NC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852027417	CH	On-Demand	Anodyne	ACACA	26	54
CCCOc1ccc([C@H](C)NC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852027417	CH	On-Demand	Anodyne	ACACB	27	54
CCCOc1ccc([C@@H](C)NC(=O)N[C@H]2C=CCC2)cc1	ZINC000852027418	CH	On-Demand	Anodyne	ACACA	26	54
CCCOc1ccc([C@@H](C)NC(=O)N[C@H]2C=CCC2)cc1	ZINC000852027418	CH	On-Demand	Anodyne	ACACB	27	54
CCCOc1ccc([C@@H](C)NC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852027420	CH	On-Demand	Anodyne	ACACA	26	54
CCCOc1ccc([C@@H](C)NC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852027420	CH	On-Demand	Anodyne	ACACB	27	54
CCCOc1ccc([C@H](C)NC(=O)N[C@H]2C=CCC2)cc1	ZINC000852027422	CH	On-Demand	Anodyne	ACACA	26	54
CCCOc1ccc([C@H](C)NC(=O)N[C@H]2C=CCC2)cc1	ZINC000852027422	CH	On-Demand	Anodyne	ACACB	27	54
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccc2ccccc12	ZINC000852027431	FF	On-Demand	Anodyne	MTNR1A	16	44
O=C(NCCCc1cccc(Cl)c1)NCC1SCCS1	ZINC000852027450	EG	On-Demand	Anodyne	SLC6A5	15	40
O=C(NCCCc1cccc(Cl)c1)NCC1SCCS1	ZINC000852027450	EG	On-Demand	Anodyne	CRTM	35	40
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)CC1	ZINC000852027459	FG	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]23)CC1	ZINC000852027460	FG	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CC1	ZINC000852027462	FG	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)CC1	ZINC000852027464	FG	On-Demand	Anodyne	EPHX2	19	48
CCCOc1ccc([C@@H](C)NC(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852027465	ED	On-Demand	Reactive	ACACA	25	47
CCCOc1ccc([C@@H](C)NC(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852027465	ED	On-Demand	Reactive	ACACB	25	47
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852027467	ED	On-Demand	Reactive	ACACA	25	47
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852027467	ED	On-Demand	Reactive	ACACB	25	47
CCOc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852027468	GH	On-Demand	Clean	MCHR1	16	41
CCOc1ccccc1[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852027469	GH	On-Demand	Clean	MCHR1	16	41
CCOc1ccccc1[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852027470	GH	On-Demand	Clean	MCHR1	16	41
CCOc1ccccc1[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852027471	GH	On-Demand	Clean	MCHR1	16	41
CCCOc1ccc([C@H](C)NC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852027473	FG	On-Demand	Anodyne	ACACA	26	52
CCCOc1ccc([C@H](C)NC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852027473	FG	On-Demand	Anodyne	ACACB	28	52
CCCOc1ccc([C@H](C)NC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852027473	FG	On-Demand	Anodyne	EPHX2	25	41
CCCOc1ccc([C@@H](C)NC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852027474	FG	On-Demand	Anodyne	ACACA	26	52
CCCOc1ccc([C@@H](C)NC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852027474	FG	On-Demand	Anodyne	ACACB	28	52
CCCOc1ccc([C@@H](C)NC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852027474	FG	On-Demand	Anodyne	EPHX2	25	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1	ZINC000852027475	EG	On-Demand	Anodyne	RBP4	69	38
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1	ZINC000852027476	EG	On-Demand	Anodyne	RBP4	69	38
CN(c1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C1	ZINC000852027477	EG	On-Demand	Anodyne	RBP4	69	38
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1	ZINC000852027478	EG	On-Demand	Anodyne	RBP4	69	38
CN(C)CCOc1ccccc1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852027481	FF	On-Demand	Reactive	F10	34	47
COc1ccc(N2CC[C@H](NC(=O)NCCCS(C)(=O)=O)C2)cc1	ZINC000852027493	FD	On-Demand	Clean	BMP1	19	46
COc1ccc(N2CC[C@H](NC(=O)NCCCS(C)(=O)=O)C2)cc1	ZINC000852027493	FD	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NCCCS(C)(=O)=O)C2)cc1	ZINC000852027493	FD	On-Demand	Clean	MTNR1B	15	46
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852027551	GH	On-Demand	Anodyne	CCR8	26	42
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852027551	GH	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC(NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852027551	GH	On-Demand	Anodyne	WNT3	42	36
CC(C)(C)OC(=O)N1CCC(NC(=O)NCC(F)(F)C(C)(C)C)CC1	ZINC000852027571	FG	On-Demand	Anodyne	EPHX2	35	41
CC(C)(C)OC(=O)N1CCC(NC(=O)NCCOCCF)CC1	ZINC000852027573	ED	On-Demand	Anodyne	EPHX2	28	48
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1COc2ccccc21	ZINC000852027578	FF	On-Demand	Anodyne	DRD4	24	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1COc2ccccc21	ZINC000852027578	FF	On-Demand	Anodyne	ACHE	37	47
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1COc2ccccc21	ZINC000852027578	FF	On-Demand	Anodyne	HTR4	43	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1COc2ccccc21	ZINC000852027578	FF	On-Demand	Anodyne	SSTR5	43	33
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1COc2ccccc21	ZINC000852027578	FF	On-Demand	Anodyne	CACNA1I	51	38
Cc1cncc(CCNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000852027579	FE	On-Demand	Anodyne	GPR119	41	42
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1COc2ccccc21	ZINC000852027580	FF	On-Demand	Anodyne	DRD4	24	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1COc2ccccc21	ZINC000852027580	FF	On-Demand	Anodyne	ACHE	37	47
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1COc2ccccc21	ZINC000852027580	FF	On-Demand	Anodyne	HTR4	43	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1COc2ccccc21	ZINC000852027580	FF	On-Demand	Anodyne	SSTR5	43	33
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1COc2ccccc21	ZINC000852027580	FF	On-Demand	Anodyne	CACNA1I	51	38
CN(CC1=CCCOC1)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852027612	FE	On-Demand	Anodyne	GPR119	32	40
Cn1cc(CCNC(=O)NCCS(C)(=O)=O)c2ccccc21	ZINC000852027614	DD	On-Demand	Anodyne	NQO2	23	45
Cn1cc(CCNC(=O)NCCS(C)(=O)=O)c2ccccc21	ZINC000852027614	DD	On-Demand	Anodyne	MTNR1A	26	45
Cn1cc(CCNC(=O)NCCS(C)(=O)=O)c2ccccc21	ZINC000852027614	DD	On-Demand	Anodyne	MTNR1B	16	45
O=C(NC(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027622	GG	On-Demand	Anodyne	ACE	49	35
O=C(NC(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027622	GG	On-Demand	Anodyne	MME	47	34
O=C(NC(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027622	GG	On-Demand	Anodyne	AMP1_PLAFQ	17	40
O=C(NC(Cc1ccccc1)Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027622	GG	On-Demand	Anodyne	CALCRL	35	40
O=C(NC(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027623	GG	On-Demand	Anodyne	ACE	49	35
O=C(NC(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027623	GG	On-Demand	Anodyne	MME	47	34
O=C(NC(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027623	GG	On-Demand	Anodyne	AMP1_PLAFQ	17	40
O=C(NC(Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027623	GG	On-Demand	Anodyne	CALCRL	35	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2c(Cl)cccc2Cl)O1	ZINC000852027626	GD	On-Demand	Reactive	P2RX7	40	42
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2c(Cl)cccc2Cl)O1	ZINC000852027627	GD	On-Demand	Reactive	P2RX7	40	42
COC(=O)N(C)CCNC(=O)NCCCc1cccc(Cl)c1	ZINC000852027633	EE	On-Demand	Anodyne	MAOB	17	40
COC(=O)N(C)CCNC(=O)NCCCc1cccc(Cl)c1	ZINC000852027633	EE	On-Demand	Anodyne	MTNR1A	29	45
COC(=O)N(C)CCNC(=O)NCCCc1cccc(Cl)c1	ZINC000852027633	EE	On-Demand	Anodyne	MTNR1B	27	45
COC(=O)N(C)CCNC(=O)NCCCc1cccc(Cl)c1	ZINC000852027633	EE	On-Demand	Anodyne	CRTM	49	40
O=C(NCCCc1cccc(Cl)c1)NCCC1SCCS1	ZINC000852027649	EH	On-Demand	Anodyne	SLC6A5	15	40
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)cc1	ZINC000852027651	GD	On-Demand	Reactive	ACACA	18	48
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)cc1	ZINC000852027651	GD	On-Demand	Reactive	ACACB	19	48
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)cc1	ZINC000852027652	GD	On-Demand	Reactive	ACACA	18	48
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)cc1	ZINC000852027652	GD	On-Demand	Reactive	ACACB	19	48
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)cc1	ZINC000852027653	GD	On-Demand	Reactive	ACACA	18	48
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)cc1	ZINC000852027653	GD	On-Demand	Reactive	ACACB	19	48
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)cc1	ZINC000852027654	GD	On-Demand	Reactive	ACACA	18	48
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)cc1	ZINC000852027654	GD	On-Demand	Reactive	ACACB	19	48
C#C[C@H](NC(=O)N[C@H](C)c1ccc(OCCC)cc1)C1CCOCC1	ZINC000852027656	EG	On-Demand	Mild	ACACA	27	52
C#C[C@H](NC(=O)N[C@H](C)c1ccc(OCCC)cc1)C1CCOCC1	ZINC000852027656	EG	On-Demand	Mild	ACACB	30	52
C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OCCC)cc1)C1CCOCC1	ZINC000852027657	EG	On-Demand	Mild	ACACA	27	52
C#C[C@@H](NC(=O)N[C@H](C)c1ccc(OCCC)cc1)C1CCOCC1	ZINC000852027657	EG	On-Demand	Mild	ACACB	30	52
C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCCC)cc1)C1CCOCC1	ZINC000852027658	EG	On-Demand	Mild	ACACA	27	52
C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(OCCC)cc1)C1CCOCC1	ZINC000852027658	EG	On-Demand	Mild	ACACB	30	52
C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OCCC)cc1)C1CCOCC1	ZINC000852027659	EG	On-Demand	Mild	ACACA	27	52
C#C[C@H](NC(=O)N[C@@H](C)c1ccc(OCCC)cc1)C1CCOCC1	ZINC000852027659	EG	On-Demand	Mild	ACACB	30	52
COC(=O)N(C)CCNC(=O)NCCCOc1ccc(F)cc1	ZINC000852027680	ED	On-Demand	Anodyne	LTA4H	17	49
COC(=O)N(C)CCNC(=O)NCCCOc1ccc(F)cc1	ZINC000852027680	ED	On-Demand	Anodyne	LSS	20	41
O[C@@H]1CCCC[C@H]1N1CC[C@](O)(c2cnn[nH]2)C1	ZINC000852027716	CC	On-Demand	Anodyne	SLC18A3	29	45
O[C@@H]1CCCC[C@H]1N1CC[C@@](O)(c2cnn[nH]2)C1	ZINC000852027718	CC	On-Demand	Anodyne	SLC18A3	29	45
O[C@]1(c2cnn[nH]2)CCCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852027729	DE	On-Demand	Anodyne	EBP	21	52
O[C@]1(c2cnn[nH]2)CCCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852027731	DE	On-Demand	Anodyne	EBP	21	52
O[C@@]1(c2cnn[nH]2)CCCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852027733	DE	On-Demand	Anodyne	EBP	21	52
O[C@@]1(c2cnn[nH]2)CCCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852027735	DE	On-Demand	Anodyne	EBP	21	52
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc3ccccc23)O1	ZINC000852027774	FD	On-Demand	Reactive	P2RX7	22	48
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc3ccccc23)O1	ZINC000852027775	FD	On-Demand	Reactive	P2RX7	22	48
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)NCc1ccc(F)cc1F	ZINC000852027805	GD	On-Demand	Reactive	P2RX7	50	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3COc4ccccc43)C2)cc1	ZINC000852027863	FF	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3COc4ccccc43)C2)cc1	ZINC000852027865	FF	On-Demand	Clean	MTNR1A	16	47
O=C(NCc1cccnc1N1CCCC1)N[C@H]1COc2ccccc21	ZINC000852027910	EF	On-Demand	Anodyne	SCN2A	18	42
O=C(NCc1cccnc1N1CCCC1)N[C@H]1COc2ccccc21	ZINC000852027910	EF	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1COc2ccccc21	ZINC000852027911	EF	On-Demand	Anodyne	SCN2A	18	42
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1COc2ccccc21	ZINC000852027911	EF	On-Demand	Anodyne	SCN10A	19	42
O=C(NCCC1SCCS1)NCc1cccc(Cl)c1Cl	ZINC000852027955	FH	On-Demand	Anodyne	P2RX7	39	45
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC1SCCS1	ZINC000852027960	FF	On-Demand	Anodyne	BMP1	55	38
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC1SCCS1	ZINC000852027960	FF	On-Demand	Anodyne	NOS2	92	36
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC1SCCS1	ZINC000852027963	FF	On-Demand	Anodyne	BMP1	55	38
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCC1SCCS1	ZINC000852027963	FF	On-Demand	Anodyne	NOS2	92	36
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027964	GD	On-Demand	Anodyne	NOS2	96	36
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027964	GD	On-Demand	Anodyne	MCHR1	19	40
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027967	GD	On-Demand	Anodyne	NOS2	96	36
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027967	GD	On-Demand	Anodyne	MCHR1	19	40
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027969	GD	On-Demand	Anodyne	NOS2	96	36
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852027969	GD	On-Demand	Anodyne	MCHR1	19	40
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027971	GD	On-Demand	Anodyne	NOS2	96	36
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852027971	GD	On-Demand	Anodyne	MCHR1	19	40
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(CCc3ccc(C#N)cc3)C[C@H]21	ZINC000852028007	FF	On-Demand	Mild	KCNJ1	24	42
CC(C)(C)OC(=O)N1CCO[C@H]2CCN(CCc3ccc(C#N)cc3)C[C@@H]21	ZINC000852028008	FF	On-Demand	Mild	KCNJ1	24	42
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(CCc3ccc(C#N)cc3)C[C@@H]21	ZINC000852028009	FF	On-Demand	Mild	KCNJ1	24	42
CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(CCc3ccc(C#N)cc3)C[C@H]21	ZINC000852028010	FF	On-Demand	Mild	KCNJ1	24	42
O[C@@H]1CCC[C@H]1N1CC[C@](O)(c2cnn[nH]2)C1	ZINC000852028020	BB	On-Demand	Anodyne	SLC18A3	15	42
O[C@@H]1CCC[C@H]1N1CC[C@@](O)(c2cnn[nH]2)C1	ZINC000852028024	BB	On-Demand	Anodyne	SLC18A3	15	42
CCCOc1ccc([C@H](C)NC(=O)N(CCF)CCOC)cc1	ZINC000852028028	EG	On-Demand	Anodyne	ACACA	30	55
CCCOc1ccc([C@H](C)NC(=O)N(CCF)CCOC)cc1	ZINC000852028028	EG	On-Demand	Anodyne	ACACB	30	55
CCCOc1ccc([C@@H](C)NC(=O)N(CCF)CCOC)cc1	ZINC000852028029	EG	On-Demand	Anodyne	ACACA	30	55
CCCOc1ccc([C@@H](C)NC(=O)N(CCF)CCOC)cc1	ZINC000852028029	EG	On-Demand	Anodyne	ACACB	30	55
O=C(NCCC1SCCS1)NCc1ccc(CN2CCCCCC2)cc1	ZINC000852028041	GI	On-Demand	Anodyne	HRH2	26	48
O=C(NCCC1SCCS1)NCc1ccc(CN2CCCCCC2)cc1	ZINC000852028041	GI	On-Demand	Anodyne	HRH3	24	42
O=C(NCCC1SCCS1)NCc1ccc(CN2CCCCCC2)cc1	ZINC000852028041	GI	On-Demand	Anodyne	SIGMAR1	16	43
CCCOc1ccc([C@@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852028046	DF	On-Demand	Anodyne	ACACA	29	54
CCCOc1ccc([C@@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852028046	DF	On-Demand	Anodyne	ACACB	30	54
CCCOc1ccc([C@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852028047	DF	On-Demand	Anodyne	ACACA	29	54
CCCOc1ccc([C@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852028047	DF	On-Demand	Anodyne	ACACB	30	54
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H]1C=CCC1	ZINC000852028058	DF	On-Demand	Anodyne	BMP1	52	36
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H]1C=CCC1	ZINC000852028058	DF	On-Demand	Anodyne	NOS2	78	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H]1C=CCC1	ZINC000852028058	DF	On-Demand	Anodyne	MCHR1	17	42
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H]1C=CCC1	ZINC000852028059	DF	On-Demand	Anodyne	BMP1	52	36
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H]1C=CCC1	ZINC000852028059	DF	On-Demand	Anodyne	NOS2	78	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H]1C=CCC1	ZINC000852028059	DF	On-Demand	Anodyne	MCHR1	17	42
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H]1C=CCC1	ZINC000852028060	DF	On-Demand	Anodyne	BMP1	52	36
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H]1C=CCC1	ZINC000852028060	DF	On-Demand	Anodyne	NOS2	78	35
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H]1C=CCC1	ZINC000852028060	DF	On-Demand	Anodyne	MCHR1	17	42
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H]1C=CCC1	ZINC000852028061	DF	On-Demand	Anodyne	BMP1	52	36
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H]1C=CCC1	ZINC000852028061	DF	On-Demand	Anodyne	NOS2	78	35
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H]1C=CCC1	ZINC000852028061	DF	On-Demand	Anodyne	MCHR1	17	42
CCOc1ccccc1[C@@H](C)NC(=O)NCCC1SCCS1	ZINC000852028066	EH	On-Demand	Anodyne	HCN1	50	35
CCOc1ccccc1[C@@H](C)NC(=O)NCCC1SCCS1	ZINC000852028066	EH	On-Demand	Anodyne	HCN4	42	35
CCOc1ccccc1[C@H](C)NC(=O)NCCC1SCCS1	ZINC000852028067	EH	On-Demand	Anodyne	HCN1	50	35
CCOc1ccccc1[C@H](C)NC(=O)NCCC1SCCS1	ZINC000852028067	EH	On-Demand	Anodyne	HCN4	42	35
CCOc1ccccc1[C@@H](C)NC(=O)NCC1SCCS1	ZINC000852028070	EG	On-Demand	Anodyne	HCN1	51	35
CCOc1ccccc1[C@@H](C)NC(=O)NCC1SCCS1	ZINC000852028070	EG	On-Demand	Anodyne	HCN4	42	35
CCOc1ccccc1[C@H](C)NC(=O)NCC1SCCS1	ZINC000852028071	EG	On-Demand	Anodyne	HCN1	51	35
CCOc1ccccc1[C@H](C)NC(=O)NCC1SCCS1	ZINC000852028071	EG	On-Demand	Anodyne	HCN4	42	35
O=C(NCCCOc1ccc(F)cc1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852028078	GG	On-Demand	Anodyne	ADRB1	23	41
O=C(NCCCOc1ccc(F)cc1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852028079	GG	On-Demand	Anodyne	ADRB1	23	41
CCOc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852028081	GH	On-Demand	Anodyne	HCN1	61	37
CCOc1ccccc1[C@H](C)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852028081	GH	On-Demand	Anodyne	HCN4	51	37
CCOc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852028082	GH	On-Demand	Anodyne	HCN1	61	37
CCOc1ccccc1[C@@H](C)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852028082	GH	On-Demand	Anodyne	HCN4	51	37
CCOc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852028083	GD	On-Demand	Reactive	HCN1	51	36
CCOc1ccccc1[C@@H](C)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852028083	GD	On-Demand	Reactive	HCN4	46	36
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852028084	GD	On-Demand	Reactive	HCN1	51	36
CCOc1ccccc1[C@H](C)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852028084	GD	On-Demand	Reactive	HCN4	46	36
COCCN(CCF)C(=O)NCCc1ccc(OC)cc1OC	ZINC000852028087	ED	On-Demand	Anodyne	MTNR1A	84	39
COCCN(CCF)C(=O)NCCc1ccc(OC)cc1OC	ZINC000852028087	ED	On-Demand	Anodyne	MTNR1B	64	40
O=C(NCCN1C(=O)CSC1=O)NCc1cccnc1N1CCCC1	ZINC000852028149	FD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCCN1C(=O)CSC1=O)NCc1cccnc1N1CCCC1	ZINC000852028149	FD	On-Demand	Anodyne	SCN10A	18	42
Cc1ncc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)s1	ZINC000852028189	GH	On-Demand	Anodyne	ROCK2	22	40
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852028206	GC	On-Demand	Reactive	NOS2	90	35
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852028207	GC	On-Demand	Reactive	NOS2	90	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852028239	EF	On-Demand	Anodyne	NOS2	58	34
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852028240	EF	On-Demand	Anodyne	NOS2	58	34
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852028241	EF	On-Demand	Anodyne	NOS2	58	34
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852028242	EF	On-Demand	Anodyne	NOS2	58	34
N#Cc1ccc(CCN2CC[C@@](O)(c3cnn[nH]3)C2)cc1	ZINC000852028243	CC	On-Demand	Mild	KCNJ1	19	51
N#Cc1ccc(CCN2CC[C@](O)(c3cnn[nH]3)C2)cc1	ZINC000852028244	CC	On-Demand	Mild	KCNJ1	19	51
CCCOc1ccc([C@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852028261	GG	On-Demand	Anodyne	ACACA	22	48
CCCOc1ccc([C@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852028261	GG	On-Demand	Anodyne	ACACB	23	48
CCCOc1ccc([C@@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852028262	GG	On-Demand	Anodyne	ACACA	22	48
CCCOc1ccc([C@@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852028262	GG	On-Demand	Anodyne	ACACB	23	48
CCCOc1ccc([C@@H](C)NC(=O)NCC2SCCS2)cc1	ZINC000852028281	EH	On-Demand	Anodyne	ACACA	27	54
CCCOc1ccc([C@@H](C)NC(=O)NCC2SCCS2)cc1	ZINC000852028281	EH	On-Demand	Anodyne	ACACB	30	54
CCCOc1ccc([C@H](C)NC(=O)NCC2SCCS2)cc1	ZINC000852028282	EH	On-Demand	Anodyne	ACACA	27	54
CCCOc1ccc([C@H](C)NC(=O)NCC2SCCS2)cc1	ZINC000852028282	EH	On-Demand	Anodyne	ACACB	30	54
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852028283	GF	On-Demand	Anodyne	NOS2	63	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852028284	GF	On-Demand	Anodyne	NOS2	63	35
O=C(NCc1ccc(Br)c(F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852028354	GE	On-Demand	Anodyne	NPSR1	26	40
O=C(NCc1ccc(Br)c(F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852028355	GE	On-Demand	Anodyne	NPSR1	26	40
COCCN(CCF)C(=O)NC(Cc1ccccc1)Cc1ccccc1	ZINC000852028397	FG	On-Demand	Anodyne	MME	95	43
COCCN(CCF)C(=O)NC(Cc1ccccc1)Cc1ccccc1	ZINC000852028397	FG	On-Demand	Anodyne	ANPEP	56	35
COCCN(CCF)C(=O)NC(Cc1ccccc1)Cc1ccccc1	ZINC000852028397	FG	On-Demand	Anodyne	PAPA1_CARPA	43	36
COCCN(CCF)C(=O)NC(Cc1ccccc1)Cc1ccccc1	ZINC000852028397	FG	On-Demand	Anodyne	CAPN1	40	34
COCCN(CCF)C(=O)NC(Cc1ccccc1)Cc1ccccc1	ZINC000852028397	FG	On-Demand	Anodyne	ACE2	43	34
CCOc1ccccc1[C@@H](C)NC(=O)NCc1ncccn1	ZINC000852028410	DE	On-Demand	Anodyne	HCN1	52	36
CCOc1ccccc1[C@@H](C)NC(=O)NCc1ncccn1	ZINC000852028410	DE	On-Demand	Anodyne	HCN4	42	36
CCOc1ccccc1[C@H](C)NC(=O)NCc1ncccn1	ZINC000852028411	DE	On-Demand	Anodyne	HCN1	52	36
CCOc1ccccc1[C@H](C)NC(=O)NCc1ncccn1	ZINC000852028411	DE	On-Demand	Anodyne	HCN4	42	36
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@H]1C=CCC1	ZINC000852028414	EH	On-Demand	Anodyne	HRH2	24	41
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@H]1C=CCC1	ZINC000852028414	EH	On-Demand	Anodyne	HRH3	27	47
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@H]1C=CCC1	ZINC000852028414	EH	On-Demand	Anodyne	SIGMAR1	23	46
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@H]1C=CCC1	ZINC000852028414	EH	On-Demand	Anodyne	MCHR1	16	47
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852028415	EH	On-Demand	Anodyne	HRH2	24	41
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852028415	EH	On-Demand	Anodyne	HRH3	27	47
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852028415	EH	On-Demand	Anodyne	SIGMAR1	23	46
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852028415	EH	On-Demand	Anodyne	MCHR1	16	47
CCCOc1ccc([C@@H](C)NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1	ZINC000852028425	FH	On-Demand	Anodyne	ACACA	22	49
CCCOc1ccc([C@@H](C)NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1	ZINC000852028425	FH	On-Demand	Anodyne	ACACB	22	49
CCCOc1ccc([C@H](C)NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1	ZINC000852028426	FH	On-Demand	Anodyne	ACACA	22	49
CCCOc1ccc([C@H](C)NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1	ZINC000852028426	FH	On-Demand	Anodyne	ACACB	22	49
COC(=O)N(C)CCNC(=O)NCCc1ccc(OC)cc1OC	ZINC000852028431	ED	On-Demand	Anodyne	NQO2	41	44
COC(=O)N(C)CCNC(=O)NCCc1ccc(OC)cc1OC	ZINC000852028431	ED	On-Demand	Anodyne	MTNR1A	117	49
COC(=O)N(C)CCNC(=O)NCCc1ccc(OC)cc1OC	ZINC000852028431	ED	On-Demand	Anodyne	MTNR1B	87	44
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCC1SCCS1	ZINC000852028433	GH	On-Demand	Anodyne	HRH2	24	45
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCC1SCCS1	ZINC000852028433	GH	On-Demand	Anodyne	HRH3	27	43
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCC1SCCS1	ZINC000852028433	GH	On-Demand	Anodyne	SIGMAR1	16	45
CCOc1ccccc1[C@H](C)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852028434	DG	On-Demand	Anodyne	HCN1	50	36
CCOc1ccccc1[C@H](C)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852028434	DG	On-Demand	Anodyne	HCN4	43	36
CCOc1ccccc1[C@@H](C)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852028435	DG	On-Demand	Anodyne	HCN1	50	36
CCOc1ccccc1[C@@H](C)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852028435	DG	On-Demand	Anodyne	HCN4	43	36
CCOc1ccccc1[C@H](C)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852028436	DG	On-Demand	Anodyne	HCN1	50	36
CCOc1ccccc1[C@H](C)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852028436	DG	On-Demand	Anodyne	HCN4	43	36
CCOc1ccccc1[C@@H](C)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852028437	DG	On-Demand	Anodyne	HCN1	50	36
CCOc1ccccc1[C@@H](C)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852028437	DG	On-Demand	Anodyne	HCN4	43	36
COC(=O)N(C)CCNC(=O)NCc1ccc(CN2CCCCCC2)cc1	ZINC000852028438	GF	On-Demand	Anodyne	HRH2	28	49
COC(=O)N(C)CCNC(=O)NCc1ccc(CN2CCCCCC2)cc1	ZINC000852028438	GF	On-Demand	Anodyne	HRH3	27	43
CCCOc1ccc([C@@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852028444	FF	On-Demand	Anodyne	ACACA	19	48
CCCOc1ccc([C@@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852028444	FF	On-Demand	Anodyne	ACACB	20	48
CCCOc1ccc([C@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852028445	FF	On-Demand	Anodyne	ACACA	19	48
CCCOc1ccc([C@H](C)NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852028445	FF	On-Demand	Anodyne	ACACB	20	48
CCCOc1ccc([C@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852028446	FF	On-Demand	Anodyne	ACACA	19	48
CCCOc1ccc([C@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852028446	FF	On-Demand	Anodyne	ACACB	20	48
CCCOc1ccc([C@@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852028447	FF	On-Demand	Anodyne	ACACA	19	48
CCCOc1ccc([C@@H](C)NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852028447	FF	On-Demand	Anodyne	ACACB	20	48
CCCOc1ccc([C@@H](C)NC(=O)NCCN(C)C(=O)OC)cc1	ZINC000852028448	EF	On-Demand	Anodyne	ACACA	25	51
CCCOc1ccc([C@@H](C)NC(=O)NCCN(C)C(=O)OC)cc1	ZINC000852028448	EF	On-Demand	Anodyne	ACACB	25	51
CCCOc1ccc([C@H](C)NC(=O)NCCN(C)C(=O)OC)cc1	ZINC000852028449	EF	On-Demand	Anodyne	ACACA	25	51
CCCOc1ccc([C@H](C)NC(=O)NCCN(C)C(=O)OC)cc1	ZINC000852028449	EF	On-Demand	Anodyne	ACACB	25	51
CCCOc1ccc([C@@H](C)NC(=O)NNC(=O)c2cccc(F)n2)cc1	ZINC000852028452	FF	On-Demand	Reactive	ACACA	25	47
CCCOc1ccc([C@@H](C)NC(=O)NNC(=O)c2cccc(F)n2)cc1	ZINC000852028452	FF	On-Demand	Reactive	ACACB	26	47
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)c2cccc(F)n2)cc1	ZINC000852028453	FF	On-Demand	Reactive	ACACA	25	47
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)c2cccc(F)n2)cc1	ZINC000852028453	FF	On-Demand	Reactive	ACACB	26	47
C#C[C@@H](NC(=O)NCc1ccc(CN2CCCCCC2)cc1)C1CCOCC1	ZINC000852028462	GG	On-Demand	Mild	HRH3	20	42
C#C[C@H](NC(=O)NCc1ccc(CN2CCCCCC2)cc1)C1CCOCC1	ZINC000852028463	GG	On-Demand	Mild	HRH3	20	42
CCOc1ccccc1[C@@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852028471	EF	On-Demand	Anodyne	SSTR5	53	37
CCOc1ccccc1[C@@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852028471	EF	On-Demand	Anodyne	HCN1	54	35
CCOc1ccccc1[C@@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852028471	EF	On-Demand	Anodyne	HCN4	51	35
CCOc1ccccc1[C@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852028472	EF	On-Demand	Anodyne	SSTR5	53	37
CCOc1ccccc1[C@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852028472	EF	On-Demand	Anodyne	HCN1	54	35
CCOc1ccccc1[C@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852028472	EF	On-Demand	Anodyne	HCN4	51	35
O=C(NCc1ccc(CN2CCCCCC2)cc1)NNC(=O)c1cccc(F)n1	ZINC000852028484	GF	On-Demand	Reactive	HRH2	26	42
O=C(NCc1ccc(CN2CCCCCC2)cc1)NNC(=O)c1cccc(F)n1	ZINC000852028484	GF	On-Demand	Reactive	HRH3	20	41
O=C(NCc1ccc(CN2CCCCCC2)cc1)NNC(=O)c1cccc(F)n1	ZINC000852028484	GF	On-Demand	Reactive	F2R	40	32
O=C(NCc1ccc(CN2CCCCCC2)cc1)NNC(=O)c1cccc(F)n1	ZINC000852028484	GF	On-Demand	Reactive	NPFFR1	41	35
CCCOc1ccc([C@H](C)NC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852028489	FG	On-Demand	Anodyne	ACACA	18	46
CCCOc1ccc([C@H](C)NC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852028489	FG	On-Demand	Anodyne	ACACB	19	46
CCCOc1ccc([C@@H](C)NC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852028490	FG	On-Demand	Anodyne	ACACA	18	46
CCCOc1ccc([C@@H](C)NC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852028490	FG	On-Demand	Anodyne	ACACB	19	46
O=C(CNC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NC1CCCC1	ZINC000852028502	GE	On-Demand	Anodyne	CCR2	43	39
O=C(N[C@@H]1CCN(C2CCCCC2)C1)N[C@H]1COc2ccccc21	ZINC000852028510	EF	On-Demand	Anodyne	BIRC3	37	41
O=C(N[C@@H]1CCN(C2CCCCC2)C1)N[C@H]1COc2ccccc21	ZINC000852028510	EF	On-Demand	Anodyne	BIRC2	23	41
O=C(N[C@H]1CCN(C2CCCCC2)C1)N[C@@H]1COc2ccccc21	ZINC000852028512	EF	On-Demand	Anodyne	BIRC3	37	41
O=C(N[C@H]1CCN(C2CCCCC2)C1)N[C@@H]1COc2ccccc21	ZINC000852028512	EF	On-Demand	Anodyne	BIRC2	23	41
O=C(N[C@H]1CCN(C2CCCCC2)C1)N[C@H]1COc2ccccc21	ZINC000852028513	EF	On-Demand	Anodyne	BIRC3	37	41
O=C(N[C@H]1CCN(C2CCCCC2)C1)N[C@H]1COc2ccccc21	ZINC000852028513	EF	On-Demand	Anodyne	BIRC2	23	41
CN1C[C@@H]2[C@@H](CCCN2C[C@](O)(C(N)=O)c2ccccc2)C1=O	ZINC000852028524	DB	On-Demand	Anodyne	CYP2J2	46	34
CN1C[C@@H]2[C@@H](CCCN2C[C@@](O)(C(N)=O)c2ccccc2)C1=O	ZINC000852028525	DB	On-Demand	Anodyne	CYP2J2	46	34
O=C(N[C@H]1COc2ccccc21)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852028571	CF	On-Demand	Anodyne	RBP4	49	33
O=C(N[C@H]1COc2ccccc21)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852028586	GD	On-Demand	Anodyne	ACE	21	44
O=C(N[C@H]1COc2ccccc21)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852028586	GD	On-Demand	Anodyne	NAAA	18	40
C#C[C@H](NC(=O)N[C@H](C)CCc1ccc2c(c1)OCO2)C1CCOCC1	ZINC000852028591	FE	On-Demand	Mild	NOS2	56	33
C#C[C@@H](NC(=O)N[C@H](C)CCc1ccc2c(c1)OCO2)C1CCOCC1	ZINC000852028592	FE	On-Demand	Mild	NOS2	56	33
C#C[C@@H](NC(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2)C1CCOCC1	ZINC000852028593	FE	On-Demand	Mild	NOS2	56	33
C#C[C@H](NC(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2)C1CCOCC1	ZINC000852028594	FE	On-Demand	Mild	NOS2	56	33
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNc1ccc(Cl)cn1	ZINC000852028608	FG	On-Demand	Reactive	BMP1	45	34
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNc1ccc(Cl)cn1	ZINC000852028608	FG	On-Demand	Reactive	NOS2	89	35
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NNc1ccc(Cl)cn1	ZINC000852028608	FG	On-Demand	Reactive	MCHR1	15	43
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NNc1ccc(Cl)cn1	ZINC000852028609	FG	On-Demand	Reactive	BMP1	45	34
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NNc1ccc(Cl)cn1	ZINC000852028609	FG	On-Demand	Reactive	NOS2	89	35
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NNc1ccc(Cl)cn1	ZINC000852028609	FG	On-Demand	Reactive	MCHR1	15	43
COCCN(CCF)C(=O)NCCCc1cccc(Cl)c1	ZINC000852028616	DF	On-Demand	Anodyne	SLC6A5	19	42
COCCN(CCF)C(=O)NCCCc1cccc(Cl)c1	ZINC000852028616	DF	On-Demand	Anodyne	CRTM	60	42
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1ncccn1	ZINC000852028623	EE	On-Demand	Anodyne	BMP1	63	41
C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1ncccn1	ZINC000852028623	EE	On-Demand	Anodyne	NOS2	105	41
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1ncccn1	ZINC000852028624	EE	On-Demand	Anodyne	BMP1	63	41
C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)NCc1ncccn1	ZINC000852028624	EE	On-Demand	Anodyne	NOS2	105	41
C#C[C@H](NC(=O)NCCc1ccc(OC)cc1OC)C1CCOCC1	ZINC000852028639	ED	On-Demand	Mild	MTNR1A	90	43
C#C[C@H](NC(=O)NCCc1ccc(OC)cc1OC)C1CCOCC1	ZINC000852028639	ED	On-Demand	Mild	MTNR1B	69	38
C#C[C@@H](NC(=O)NCCc1ccc(OC)cc1OC)C1CCOCC1	ZINC000852028640	ED	On-Demand	Mild	MTNR1A	90	43
C#C[C@@H](NC(=O)NCCc1ccc(OC)cc1OC)C1CCOCC1	ZINC000852028640	ED	On-Demand	Mild	MTNR1B	69	38
CCCOc1ccc([C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852028643	GG	On-Demand	Anodyne	ACACA	24	48
CCCOc1ccc([C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852028643	GG	On-Demand	Anodyne	ACACB	23	48
CCCOc1ccc([C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852028644	GG	On-Demand	Anodyne	ACACA	24	48
CCCOc1ccc([C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852028644	GG	On-Demand	Anodyne	ACACB	23	48
CCCOc1ccc([C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852028645	GG	On-Demand	Anodyne	ACACA	24	48
CCCOc1ccc([C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852028645	GG	On-Demand	Anodyne	ACACB	23	48
CCCOc1ccc([C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852028646	GG	On-Demand	Anodyne	ACACA	24	48
CCCOc1ccc([C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852028646	GG	On-Demand	Anodyne	ACACB	23	48
CCCOc1ccc([C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852028657	GF	On-Demand	Anodyne	ACACA	24	49
CCCOc1ccc([C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852028657	GF	On-Demand	Anodyne	ACACB	25	49
CCCOc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852028658	GF	On-Demand	Anodyne	ACACA	24	49
CCCOc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852028658	GF	On-Demand	Anodyne	ACACB	25	49
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	DRD4	19	40
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	HRH2	30	52
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	LTA4H	21	40
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	HRH3	40	45
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	SIGMAR1	26	47
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	BDKRB1	21	40
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	HNMT	79	35
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	MCHR1	17	41
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	NPFFR1	43	37
O=C(NCc1ccc(CN2CCCCCC2)cc1)NCc1ncccn1	ZINC000852028671	FF	On-Demand	Anodyne	NAMPT	57	46
O=C(N[C@H]1COc2ccccc21)N1CCC(c2ccco2)CC1	ZINC000852028702	DG	On-Demand	Anodyne	RBP4	28	40
O=C(N[C@H]1COc2ccccc21)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852028740	FH	On-Demand	Anodyne	TRPM8	41	53
COCCN(CCF)C(=O)NCc1ccc(CN2CCCCCC2)cc1	ZINC000852028794	FG	On-Demand	Anodyne	HRH2	25	40
COCCN(CCF)C(=O)NCc1ccc(CN2CCCCCC2)cc1	ZINC000852028794	FG	On-Demand	Anodyne	HRH3	30	43
CCOc1ccccc1[C@@H](C)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852028799	EF	On-Demand	Anodyne	HCN1	49	34
CCOc1ccccc1[C@@H](C)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852028799	EF	On-Demand	Anodyne	HCN4	40	34
CCOc1ccccc1[C@H](C)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852028800	EF	On-Demand	Anodyne	HCN1	49	34
CCOc1ccccc1[C@H](C)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852028800	EF	On-Demand	Anodyne	HCN4	40	34
COCCN(CCF)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2	ZINC000852028811	EE	On-Demand	Anodyne	EDNRB	55	39
COCCN(CCF)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2	ZINC000852028811	EE	On-Demand	Anodyne	EDNRA	49	40
COCCN(CCF)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2	ZINC000852028811	EE	On-Demand	Anodyne	BMP1	63	40
COCCN(CCF)C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2	ZINC000852028811	EE	On-Demand	Anodyne	NOS2	60	32
COCCN(CCF)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2	ZINC000852028812	EE	On-Demand	Anodyne	EDNRB	55	39
COCCN(CCF)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2	ZINC000852028812	EE	On-Demand	Anodyne	EDNRA	49	40
COCCN(CCF)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2	ZINC000852028812	EE	On-Demand	Anodyne	BMP1	63	40
COCCN(CCF)C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2	ZINC000852028812	EE	On-Demand	Anodyne	NOS2	60	32
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852028822	FH	On-Demand	Anodyne	HRH2	20	41
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852028822	FH	On-Demand	Anodyne	HRH3	17	42
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852028822	FH	On-Demand	Anodyne	SIGMAR1	19	41
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852028823	FH	On-Demand	Anodyne	HRH2	20	41
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852028823	FH	On-Demand	Anodyne	HRH3	17	42
O=C(NCc1ccc(CN2CCCCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852028823	FH	On-Demand	Anodyne	SIGMAR1	19	41
O=C(NCCC1SCCS1)NCc1c(Cl)cccc1Cl	ZINC000852028827	FH	On-Demand	Anodyne	P2RX7	15	40
O=C(NCCCOc1ccc(F)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852028861	DF	On-Demand	Anodyne	HRH2	20	40
O=C(NCCCOc1ccc(F)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852028861	DF	On-Demand	Anodyne	EPHX2	15	51
O=C(NCCCOc1ccc(F)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852028862	DF	On-Demand	Anodyne	HRH2	20	40
O=C(NCCCOc1ccc(F)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852028862	DF	On-Demand	Anodyne	EPHX2	15	51
O=C(NCCN1C(=O)CSC1=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852028877	FE	On-Demand	Anodyne	DNAE	73	32
O=C(NCCN1C(=O)CSC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852028902	GD	On-Demand	Anodyne	ACHE	25	45
O=C(NCCN1C(=O)CSC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852028902	GD	On-Demand	Anodyne	HTR4	41	40
O=C(NCCN1C(=O)CSC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852028902	GD	On-Demand	Anodyne	SIGMAR1	21	44
O=C(NCCN1C(=O)CSC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852028902	GD	On-Demand	Anodyne	CCR3	21	41
O=C(NCCN1C(=O)CSC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852028902	GD	On-Demand	Anodyne	CACNA1I	56	38
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc1	ZINC000852028914	FD	On-Demand	Clean	MTNR1A	25	52
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc1	ZINC000852028914	FD	On-Demand	Clean	MTNR1B	24	52
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc1	ZINC000852028914	FD	On-Demand	Clean	CCR2	24	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc1	ZINC000852028914	FD	On-Demand	Clean	EPHX2	34	48
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCC3)C2)cc1	ZINC000852028914	FD	On-Demand	Clean	MCHR1	17	43
COC[C@@H](CCNC(=O)NNC(=O)c1ccc(C#N)cc1)OC	ZINC000852028915	DC	On-Demand	Reactive	CTRB_BOVIN	49	38
COc1ccc(N2CC[C@H](NC(=O)NCc3cnc(C)s3)C2)cc1	ZINC000852028955	EF	On-Demand	Clean	NPBWR1	55	32
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852028983	DD	On-Demand	Reactive	CTRB_BOVIN	46	34
COC1CC(CCNC(=O)NNC(=O)CCOc2ccccc2)C1	ZINC000852028990	ED	On-Demand	Reactive	GRIN2B	18	40
N#Cc1ccc(C(=O)NNC(=O)N2CCC(c3ccon3)CC2)cc1	ZINC000852029016	ED	On-Demand	Reactive	FASN	40	37
N#Cc1ccc(C(=O)NNC(=O)N2CCC(c3ccon3)CC2)cc1	ZINC000852029016	ED	On-Demand	Reactive	SMO	29	40
N#Cc1ccc(C(=O)NNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852029030	GF	On-Demand	Reactive	KCNH2	43	41
N#Cc1ccc(C(=O)NNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852029030	GF	On-Demand	Reactive	GLRA1	41	32
N#Cc1ccc(C(=O)NNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852029030	GF	On-Demand	Reactive	CTRB_BOVIN	48	34
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	ZINC000852029042	ED	On-Demand	Reactive	LTA4H	34	44
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	ZINC000852029042	ED	On-Demand	Reactive	PLA2G4B	40	33
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	ZINC000852029042	ED	On-Demand	Reactive	SLC6A5	35	43
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	ZINC000852029043	ED	On-Demand	Reactive	LTA4H	34	44
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	ZINC000852029043	ED	On-Demand	Reactive	PLA2G4B	40	33
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCOc2ccccc2)C1	ZINC000852029043	ED	On-Demand	Reactive	SLC6A5	35	43
COCCCCCNC(=O)NCC1SCCS1	ZINC000852029059	CD	On-Demand	Anodyne	EPHX2	28	50
CO[C@@H](C)CNC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029087	CC	On-Demand	Reactive	CTRB_BOVIN	49	37
O=C(CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)NC1CCCC1	ZINC000852029122	FD	On-Demand	Clean	EPHX2	18	50
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1	ZINC000852029226	FD	On-Demand	Reactive	CTRB_BOVIN	44	32
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1	ZINC000852029227	FD	On-Demand	Reactive	CTRB_BOVIN	44	32
COC1CC(CCNC(=O)NNC(=O)c2ccc(C#N)cc2)C1	ZINC000852029229	DD	On-Demand	Reactive	CTRB_BOVIN	44	34
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCCOC(C)(C)C)O1	ZINC000852029231	GD	On-Demand	Reactive	ACHE	15	40
O=C(CCOc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852029234	DE	On-Demand	Reactive	GRIN2B	21	45
COC(=O)N(C)CCNC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029235	DC	On-Demand	Reactive	CTRB_BOVIN	46	35
COCCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852029237	EE	On-Demand	Clean	EPHX2	17	41
N#Cc1ccc(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852029242	FD	On-Demand	Reactive	SCN2A	19	46
N#Cc1ccc(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852029242	FD	On-Demand	Reactive	SCN10A	20	46
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029249	DE	On-Demand	Reactive	ECR	22	44
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029249	DE	On-Demand	Reactive	CTRB_BOVIN	48	37
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1	ZINC000852029256	CD	On-Demand	Reactive	L3MBTL3	70	37
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@@H]3C[C@H]3C2)cc1	ZINC000852029257	CD	On-Demand	Reactive	L3MBTL3	70	37
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@H]3C[C@@H]3C2)cc1	ZINC000852029258	CD	On-Demand	Reactive	L3MBTL3	70	37
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@H]3C[C@H]3C2)cc1	ZINC000852029259	CD	On-Demand	Reactive	L3MBTL3	70	37
COCCCCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852029269	CE	On-Demand	Reactive	F10	50	32
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	ZINC000852029277	ED	On-Demand	Reactive	CTRB_BOVIN	45	34
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	ZINC000852029278	ED	On-Demand	Reactive	CTRB_BOVIN	45	34
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852029296	FD	On-Demand	Reactive	DRD2	20	43
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852029296	FD	On-Demand	Reactive	DRD4	15	40
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852029296	FD	On-Demand	Reactive	SIGMAR1	17	42
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852029296	FD	On-Demand	Reactive	CTRB_BOVIN	47	36
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852029297	FD	On-Demand	Reactive	DRD2	20	43
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852029297	FD	On-Demand	Reactive	DRD4	15	40
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852029297	FD	On-Demand	Reactive	SIGMAR1	17	42
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852029297	FD	On-Demand	Reactive	CTRB_BOVIN	47	36
COc1ccc(N2CC[C@H](NC(=O)NCCOC(C)(C)C)C2)cc1	ZINC000852029301	EE	On-Demand	Clean	MCHR1	15	46
C[C@@H]1CCN(C(=O)N[C@@H]2COc3ccccc32)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852029307	FE	On-Demand	Anodyne	RBP4	66	35
C[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852029308	FE	On-Demand	Anodyne	RBP4	66	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029309	DE	On-Demand	Reactive	CTSG	25	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029309	DE	On-Demand	Reactive	CTRB1	23	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029309	DE	On-Demand	Reactive	CELA2A	24	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029309	DE	On-Demand	Reactive	CTRB_BOVIN	60	42
Cc1nnc(CN(C)C(=O)NNC(=O)CCOc2ccccc2)o1	ZINC000852029315	ED	On-Demand	Reactive	LTA4H	17	40
COCCN(CCF)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852029320	ED	On-Demand	Reactive	LTA4H	28	45
COCCN(CCF)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852029320	ED	On-Demand	Reactive	ESRRG	43	31
CC[C@@H](C)CCNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029341	DE	On-Demand	Reactive	PDS	53	37
COCCCCCNC(=O)NCCC1SCCS1	ZINC000852029344	CE	On-Demand	Anodyne	EPHX2	25	47
COC(=O)N(C)CCNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029345	EC	On-Demand	Reactive	LTA4H	29	43
COC(=O)N(C)CCNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029345	EC	On-Demand	Reactive	MTNR1A	16	42
COC(=O)N(C)CCNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029345	EC	On-Demand	Reactive	MTNR1B	15	42
COC(=O)N(C)CCNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029345	EC	On-Demand	Reactive	ESRRG	43	32
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(C3CCOCC3)CC2)cc1	ZINC000852029357	GD	On-Demand	Reactive	HRH3	23	43
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(C3CCOCC3)CC2)cc1	ZINC000852029357	GD	On-Demand	Reactive	CACNA1I	53	34
O=C(CCOc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852029360	FE	On-Demand	Reactive	LTA4H	32	40
O=C(CCOc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852029360	FE	On-Demand	Reactive	HRH3	23	40
O=C(CCOc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852029360	FE	On-Demand	Reactive	SIGMAR1	16	46
O=C(CCOc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852029360	FE	On-Demand	Reactive	SLC6A5	36	53
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852029361	FE	On-Demand	Reactive	LTA4H	32	40
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852029361	FE	On-Demand	Reactive	HRH3	23	40
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852029361	FE	On-Demand	Reactive	SIGMAR1	16	46
O=C(CCOc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852029361	FE	On-Demand	Reactive	SLC6A5	36	53
N#Cc1ccc(C(=O)NNC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852029362	FC	On-Demand	Reactive	L3MBTL3	53	33
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852029363	FD	On-Demand	Reactive	CACNA1I	67	39
CN(C[C@@H]1CCc2ccccc21)C(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029365	EF	On-Demand	Reactive	CTRB_BOVIN	46	34
O=C1CC[C@@H]2CN(C(=O)N[C@H]3COc4ccccc43)CC[C@H]2N1	ZINC000852029384	DD	On-Demand	Anodyne	RBP4	44	31
O=C1CC[C@@H]2CN(C(=O)N[C@@H]3COc4ccccc43)CC[C@@H]2N1	ZINC000852029385	DD	On-Demand	Anodyne	RBP4	44	31
O=C1CC[C@@H]2CN(C(=O)N[C@@H]3COc4ccccc43)CC[C@H]2N1	ZINC000852029386	DD	On-Demand	Anodyne	RBP4	44	31
O=C1CC[C@@H]2CN(C(=O)N[C@H]3COc4ccccc43)CC[C@@H]2N1	ZINC000852029387	DD	On-Demand	Anodyne	RBP4	44	31
O=C(N[C@H]1COc2ccccc21)N1CCC[C@@H](CCF)C1	ZINC000852029393	CF	On-Demand	Anodyne	RBP4	53	34
O=C(N[C@H]1COc2ccccc21)N1CCC[C@H](CCF)C1	ZINC000852029394	CF	On-Demand	Anodyne	RBP4	53	34
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2COc3ccccc32)C1	ZINC000852029402	CD	On-Demand	Anodyne	NAAA	43	38
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2COc3ccccc32)C1	ZINC000852029403	CD	On-Demand	Anodyne	NAAA	43	38
COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2COc3ccccc32)cc1F	ZINC000852029461	FH	On-Demand	Anodyne	ACKR3	51	34
COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2COc3ccccc32)cc1F	ZINC000852029462	FH	On-Demand	Anodyne	ACKR3	51	34
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852029477	FF	On-Demand	Reactive	CPT1A	46	38
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852029478	FF	On-Demand	Reactive	CPT1A	46	38
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1	ZINC000852029493	FD	On-Demand	Reactive	SLC6A5	32	45
N#Cc1ccc(C(=O)NNC(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1	ZINC000852029493	FD	On-Demand	Reactive	L3MBTL3	45	35
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1	ZINC000852029494	FD	On-Demand	Reactive	SLC6A5	32	45
N#Cc1ccc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1	ZINC000852029494	FD	On-Demand	Reactive	L3MBTL3	45	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	ZINC000852029496	FE	On-Demand	Reactive	CTRB_BOVIN	48	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)c2ccc(C#N)cc2)C1	ZINC000852029497	FE	On-Demand	Reactive	CTRB_BOVIN	48	36
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852029499	EC	On-Demand	Reactive	LTA4H	20	40
CN(CC1=CCCOC1)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852029508	ED	On-Demand	Reactive	LTA4H	26	42
N#Cc1ccc(C(=O)NNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1	ZINC000852029514	GD	On-Demand	Reactive	CTSK	19	40
CCC(CC)CCCN(C)C(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029526	EG	On-Demand	Reactive	CTRB_BOVIN	52	37
COc1cccc(OC)c1CNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029534	FE	On-Demand	Reactive	KCNA3	41	38
COCCCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852029535	EF	On-Demand	Anodyne	HTR1A	21	55
COCCCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852029535	EF	On-Demand	Anodyne	DRD2	27	47
COCCCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852029535	EF	On-Demand	Anodyne	DRD3	55	46
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852029538	DD	On-Demand	Reactive	LTA4H	22	43
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852029540	EC	On-Demand	Reactive	L3MBTL3	44	35
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852029541	EC	On-Demand	Reactive	L3MBTL3	44	35
COCCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029548	EE	On-Demand	Clean	DRD4	25	41
COCCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029548	EE	On-Demand	Clean	MTNR1A	21	46
COCCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029548	EE	On-Demand	Clean	MTNR1B	20	46
COCCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029548	EE	On-Demand	Clean	EPHX2	22	46
COCCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029548	EE	On-Demand	Clean	MCHR1	15	51
COCCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029549	EE	On-Demand	Clean	DRD4	25	41
COCCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029549	EE	On-Demand	Clean	MTNR1A	21	46
COCCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029549	EE	On-Demand	Clean	MTNR1B	20	46
COCCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029549	EE	On-Demand	Clean	EPHX2	22	46
COCCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852029549	EE	On-Demand	Clean	MCHR1	15	51
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)NNC(=O)c1ccc(C#N)cc1)C2	ZINC000852029550	GD	On-Demand	Reactive	CTRB_BOVIN	46	34
COCCCCCNC(=O)N[C@@H]1C=CCC1	ZINC000852029557	BD	On-Demand	Anodyne	EPHX2	18	51
COCCCCCNC(=O)N[C@H]1C=CCC1	ZINC000852029558	BD	On-Demand	Anodyne	EPHX2	18	51
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029560	ED	On-Demand	Reactive	GRIN2B	24	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029561	ED	On-Demand	Reactive	GRIN2B	24	40
O=C(N[C@H]1COc2ccccc21)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852029606	FH	On-Demand	Anodyne	KCNH2	41	38
Cc1ncc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1	ZINC000852029612	FE	On-Demand	Clean	VHL	42	35
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NNC(=O)c1ccc(C#N)cc1)C2	ZINC000852029643	GD	On-Demand	Reactive	CTRB_BOVIN	45	34
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852029662	EF	On-Demand	Reactive	L3MBTL3	64	38
N#Cc1ccc(C(=O)NNC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852029663	EF	On-Demand	Reactive	L3MBTL3	64	38
COC[C@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCOCC1	ZINC000852029667	EC	On-Demand	Reactive	CTRB_BOVIN	45	34
COC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCOCC1	ZINC000852029668	EC	On-Demand	Reactive	CTRB_BOVIN	45	34
CS(=O)(=O)C1(CNC(=O)NNC(=O)CCOc2ccccc2)CCCCC1	ZINC000852029679	GD	On-Demand	Reactive	HCN1	49	31
CS(=O)(=O)C1(CNC(=O)NNC(=O)CCOc2ccccc2)CCCCC1	ZINC000852029679	GD	On-Demand	Reactive	HCN4	47	31
C[C@@H]1CN(C(=O)N[C@H]2COc3ccccc32)C[C@H](CC(F)(F)F)O1	ZINC000852029680	EF	On-Demand	Anodyne	RBP4	42	33
C[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc32)C[C@@H](CC(F)(F)F)O1	ZINC000852029681	EF	On-Demand	Anodyne	RBP4	42	33
C[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc32)C[C@H](CC(F)(F)F)O1	ZINC000852029682	EF	On-Demand	Anodyne	RBP4	42	33
C[C@@H]1CN(C(=O)N[C@H]2COc3ccccc32)C[C@@H](CC(F)(F)F)O1	ZINC000852029683	EF	On-Demand	Anodyne	RBP4	42	33
N#Cc1ccc(C(=O)NNC(=O)N2CCN([C@H]3CCOC3)CC2)cc1	ZINC000852029692	EC	On-Demand	Reactive	HRH3	22	42
N#Cc1ccc(C(=O)NNC(=O)N2CCN([C@H]3CCOC3)CC2)cc1	ZINC000852029692	EC	On-Demand	Reactive	L3MBTL3	52	34
N#Cc1ccc(C(=O)NNC(=O)N2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000852029693	EC	On-Demand	Reactive	HRH3	22	42
N#Cc1ccc(C(=O)NNC(=O)N2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000852029693	EC	On-Demand	Reactive	L3MBTL3	52	34
N#Cc1ccc(C(=O)NNC(=O)N2CC3CC2(c2ccccc2)C3)cc1	ZINC000852029712	EF	On-Demand	Reactive	CTRB_BOVIN	45	34
COCCCCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852029734	EG	On-Demand	Anodyne	ADRB2	40	40
COCCCCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852029734	EG	On-Demand	Anodyne	ADRB1	35	47
COCCCCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852029735	EG	On-Demand	Anodyne	ADRB2	40	40
COCCCCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852029735	EG	On-Demand	Anodyne	ADRB1	35	47
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852029740	GD	On-Demand	Reactive	DRD4	16	40
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852029740	GD	On-Demand	Reactive	ACHE	29	49
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852029740	GD	On-Demand	Reactive	SIGMAR1	24	44
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852029740	GD	On-Demand	Reactive	SSTR5	44	34
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852029740	GD	On-Demand	Reactive	CCR3	28	41
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852029740	GD	On-Demand	Reactive	CXCR3	17	42
N#Cc1ccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852029740	GD	On-Demand	Reactive	CACNA1I	64	43
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(C#N)cc2)C1	ZINC000852029755	DD	On-Demand	Reactive	CTRB_BOVIN	47	33
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)c2ccc(C#N)cc2)C1	ZINC000852029758	EC	On-Demand	Reactive	CTRB_BOVIN	45	33
COCCCCCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852029760	DD	On-Demand	Anodyne	EPHX2	16	47
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029766	GC	On-Demand	Reactive	CTRB_BOVIN	49	36
COCCCCCNC(=O)NCc1ncccn1	ZINC000852029805	CD	On-Demand	Anodyne	EPHX2	17	40
N#Cc1ccc(C(=O)NNC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1	ZINC000852029806	GF	On-Demand	Reactive	TRPM8	24	53
N#Cc1ccc(C(=O)NNC(=O)N2CCC[C@H](C3CCC3)C2)cc1	ZINC000852029807	EE	On-Demand	Reactive	L3MBTL3	41	35
N#Cc1ccc(C(=O)NNC(=O)N2CCC[C@@H](C3CCC3)C2)cc1	ZINC000852029808	EE	On-Demand	Reactive	L3MBTL3	41	35
O=C(CCOc1ccccc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852029811	GE	On-Demand	Reactive	CPT1A	65	34
O=C(CCOc1ccccc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852029811	GE	On-Demand	Reactive	CPT2	40	33
O=C(CCOc1ccccc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852029812	GE	On-Demand	Reactive	CPT1A	65	34
O=C(CCOc1ccccc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852029812	GE	On-Demand	Reactive	CPT2	40	33
CC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	ZINC000852029813	CD	On-Demand	Reactive	CTSG	17	41
CC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	ZINC000852029813	CD	On-Demand	Reactive	CTRB1	15	41
CC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	ZINC000852029813	CD	On-Demand	Reactive	CELA2A	15	41
CC[C@@H](NC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	ZINC000852029813	CD	On-Demand	Reactive	CTRB_BOVIN	49	36
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)cc1	ZINC000852029815	GF	On-Demand	Reactive	CACNA1I	41	35
N#Cc1ccc(C(=O)NNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)cc1	ZINC000852029816	GF	On-Demand	Reactive	CACNA1I	41	35
COCCCCCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852029870	EF	On-Demand	Anodyne	MTNR1A	27	47
COCCCCCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852029870	EF	On-Demand	Anodyne	SOAT1	25	43
COCCCCCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852029871	EF	On-Demand	Anodyne	MTNR1A	27	47
COCCCCCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852029871	EF	On-Demand	Anodyne	SOAT1	25	43
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852029873	FC	On-Demand	Reactive	LTA4H	15	42
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852029874	FC	On-Demand	Reactive	LTA4H	15	42
COCCCCCNC(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2	ZINC000852029875	FF	On-Demand	Anodyne	EPHX2	22	42
CO[C@@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)COCc1ccccc1	ZINC000852029877	GE	On-Demand	Reactive	ECR	20	41
CO[C@@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)COCc1ccccc1	ZINC000852029877	GE	On-Demand	Reactive	CTSG	29	45
CO[C@@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)COCc1ccccc1	ZINC000852029877	GE	On-Demand	Reactive	CTRB1	29	45
CO[C@@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)COCc1ccccc1	ZINC000852029877	GE	On-Demand	Reactive	CELA2A	26	45
CO[C@@](C)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)COCc1ccccc1	ZINC000852029877	GE	On-Demand	Reactive	CTRB_BOVIN	58	45
C[C@@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCN1S(C)(=O)=O	ZINC000852029887	GC	On-Demand	Reactive	MMP13	35	41
C[C@@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCN1S(C)(=O)=O	ZINC000852029887	GC	On-Demand	Reactive	ADAM17	30	40
C[C@@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCN1S(C)(=O)=O	ZINC000852029887	GC	On-Demand	Reactive	MMP3	31	41
C[C@@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCN1S(C)(=O)=O	ZINC000852029887	GC	On-Demand	Reactive	MMP9	18	41
C[C@@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCN1S(C)(=O)=O	ZINC000852029887	GC	On-Demand	Reactive	MMP7	34	41
C[C@@H]1CN(C(=O)NNC(=O)CCOc2ccccc2)CCN1S(C)(=O)=O	ZINC000852029887	GC	On-Demand	Reactive	MMP1	31	41
O=C(CCOc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852029888	GD	On-Demand	Reactive	SCN2A	18	42
O=C(CCOc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852029888	GD	On-Demand	Reactive	SCN10A	19	42
O=C(CCOc1ccccc1)NNC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852029897	GD	On-Demand	Reactive	PDS	39	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029920	DF	On-Demand	Reactive	PAPA1_CARPA	50	37
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029920	DF	On-Demand	Reactive	PLA2G4B	78	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029920	DF	On-Demand	Reactive	ACE2	57	37
COCCCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852029935	CD	On-Demand	Anodyne	EPHX2	23	53
COCCCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852029936	CD	On-Demand	Anodyne	EPHX2	23	53
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCOc3ccccc3)C2)cc1	ZINC000852029940	GE	On-Demand	Reactive	LTA4H	32	43
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCOc3ccccc3)C2)cc1	ZINC000852029940	GE	On-Demand	Reactive	SIGMAR1	18	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCOc3ccccc3)C2)cc1	ZINC000852029940	GE	On-Demand	Reactive	MTNR1B	15	53
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCOc3ccccc3)C2)cc1	ZINC000852029940	GE	On-Demand	Reactive	SLC6A5	31	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCOc3ccccc3)C2)cc1	ZINC000852029940	GE	On-Demand	Reactive	MCHR1	20	41
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3ccc(C#N)cc3)C2)c1	ZINC000852029943	GF	On-Demand	Reactive	DRD4	42	32
NC(=O)C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029950	DC	On-Demand	Anodyne	CHRM2	23	41
NC(=O)C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029950	DC	On-Demand	Anodyne	CHRM1	24	41
NC(=O)C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029950	DC	On-Demand	Anodyne	CHRM3	38	41
NC(=O)C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029950	DC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029951	DC	On-Demand	Anodyne	CHRM2	23	41
NC(=O)C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029951	DC	On-Demand	Anodyne	CHRM1	24	41
NC(=O)C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029951	DC	On-Demand	Anodyne	CHRM3	38	41
NC(=O)C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029951	DC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029952	DC	On-Demand	Anodyne	CHRM2	23	41
NC(=O)C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029952	DC	On-Demand	Anodyne	CHRM1	24	41
NC(=O)C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029952	DC	On-Demand	Anodyne	CHRM3	38	41
NC(=O)C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029952	DC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029953	DC	On-Demand	Anodyne	CHRM2	23	41
NC(=O)C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029953	DC	On-Demand	Anodyne	CHRM1	24	41
NC(=O)C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029953	DC	On-Demand	Anodyne	CHRM3	38	41
NC(=O)C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852029953	DC	On-Demand	Anodyne	CYP2J2	46	33
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1COc2ccccc21	ZINC000852029954	EF	On-Demand	Anodyne	HTR4	43	35
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1COc2ccccc21	ZINC000852029954	EF	On-Demand	Anodyne	SIGMAR1	15	40
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1COc2ccccc21	ZINC000852029954	EF	On-Demand	Anodyne	CACNA1I	57	34
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1COc2ccccc21	ZINC000852029955	EF	On-Demand	Anodyne	HTR4	43	35
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1COc2ccccc21	ZINC000852029955	EF	On-Demand	Anodyne	SIGMAR1	15	40
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1COc2ccccc21	ZINC000852029955	EF	On-Demand	Anodyne	CACNA1I	57	34
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029958	FF	On-Demand	Reactive	PLA2G4B	50	34
N#Cc1ccc(C(=O)NNC(=O)N2CCC(C3CCC3)CC2)cc1	ZINC000852029987	EE	On-Demand	Reactive	FASN	40	38
N#Cc1ccc(C(=O)NNC(=O)N2CCC(C3CCC3)CC2)cc1	ZINC000852029987	EE	On-Demand	Reactive	L3MBTL3	78	40
CO[C@@H](C)CNC(=O)NNC(=O)CCOc1ccccc1	ZINC000852029989	CC	On-Demand	Reactive	LTA4H	32	40
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852029994	CD	On-Demand	Reactive	CTRB_BOVIN	51	39
CCC(CC)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000852030016	GG	On-Demand	Reactive	CTRB_BOVIN	45	33
CCC(CC)(CNC(=O)NNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000852030016	GG	On-Demand	Reactive	CACNA1G	36	42
N#Cc1ccc(C(=O)NNC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)cc1	ZINC000852030017	GE	On-Demand	Reactive	CTRB_BOVIN	44	32
N#Cc1ccc(C(=O)NNC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)cc1	ZINC000852030018	GE	On-Demand	Reactive	CTRB_BOVIN	44	32
O=C(N[C@H]1COc2ccccc21)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852030033	EE	On-Demand	Anodyne	RBP4	64	33
O=C(N[C@H]1COc2ccccc21)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852030034	EE	On-Demand	Anodyne	RBP4	64	33
CC(C)(C)OC(=O)C1(CNC(=O)NNC(=O)c2ccc(C#N)cc2)CCC1	ZINC000852030037	FE	On-Demand	Reactive	CTRB_BOVIN	46	35
O=C(N[C@H]1COc2ccccc21)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852030061	GG	On-Demand	Anodyne	SSTR3	30	44
O=C(N[C@H]1COc2ccccc21)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852030061	GG	On-Demand	Anodyne	NAAA	24	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)CCOc1ccccc1	ZINC000852030091	FF	On-Demand	Reactive	PTGER3	63	39
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)CCOc1ccccc1	ZINC000852030092	FF	On-Demand	Reactive	PTGER3	63	39
CC(C)(C)OC(=O)C[C@@H]1CCCN(CCn2cnc(Br)n2)CC1	ZINC000852030204	GF	On-Demand	Anodyne	CACNA1I	40	37
CC(C)(C)OC(=O)C[C@H]1CCCN(CCn2cnc(Br)n2)CC1	ZINC000852030205	GF	On-Demand	Anodyne	CACNA1I	40	37
O=C(NNC(=O)c1cccc2cccnc12)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852030213	GC	On-Demand	Reactive	HCRTR1	15	41
O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)NNC(=O)c1cccc2cccnc12	ZINC000852030219	EF	On-Demand	Reactive	HCRTR1	17	47
O=C(CCOc1ccccc1)NNC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852030221	GD	On-Demand	Reactive	LTA4H	22	40
O=C(CCOc1ccccc1)NNC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852030221	GD	On-Demand	Reactive	SLC6A5	31	41
O=C(CCOc1ccccc1)NNC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852030222	GD	On-Demand	Reactive	LTA4H	22	40
O=C(CCOc1ccccc1)NNC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852030222	GD	On-Demand	Reactive	SLC6A5	31	41
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030226	EF	On-Demand	Reactive	G2YM83_BOTF4	58	35
CC(C)(C)OC(=O)C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852030230	GE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)OC(=O)C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852030231	GE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)OC(=O)C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852030232	GE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)OC(=O)C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852030233	GE	On-Demand	Anodyne	AMY2	53	30
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@H]1C=CCC1	ZINC000852030250	EH	On-Demand	Anodyne	HRH2	50	49
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@H]1C=CCC1	ZINC000852030250	EH	On-Demand	Anodyne	CHRM3	25	40
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@H]1C=CCC1	ZINC000852030250	EH	On-Demand	Anodyne	SIGMAR1	26	43
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@H]1C=CCC1	ZINC000852030250	EH	On-Demand	Anodyne	BDKRB1	44	41
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@H]1C=CCC1	ZINC000852030250	EH	On-Demand	Anodyne	MCHR1	19	44
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@H]1C=CCC1	ZINC000852030250	EH	On-Demand	Anodyne	NAMPT	17	41
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852030251	EH	On-Demand	Anodyne	HRH2	50	49
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852030251	EH	On-Demand	Anodyne	CHRM3	25	40
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852030251	EH	On-Demand	Anodyne	SIGMAR1	26	43
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852030251	EH	On-Demand	Anodyne	BDKRB1	44	41
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852030251	EH	On-Demand	Anodyne	MCHR1	19	44
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852030251	EH	On-Demand	Anodyne	NAMPT	17	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc3cccnc23)C1	ZINC000852030256	FE	On-Demand	Reactive	HCRTR1	15	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc3cccnc23)C1	ZINC000852030257	FE	On-Demand	Reactive	HCRTR1	15	40
O=C(NCC1CCN(Cc2cccs2)CC1)NCC1SCCS1	ZINC000852030278	FG	On-Demand	Anodyne	CACNA1I	59	36
O=C(NNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1cccc2cccnc12	ZINC000852030281	DE	On-Demand	Reactive	HCRTR1	15	44
CNC(=O)CC1(CNC(=O)NNC(=O)CCOc2ccccc2)CCCCC1	ZINC000852030284	GD	On-Demand	Reactive	HCN1	49	31
CNC(=O)CC1(CNC(=O)NNC(=O)CCOc2ccccc2)CCCCC1	ZINC000852030284	GD	On-Demand	Reactive	HCN4	47	31
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852030298	DD	On-Demand	Reactive	LTA4H	46	42
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852030298	DD	On-Demand	Reactive	RBP4	52	33
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852030299	DD	On-Demand	Reactive	LTA4H	46	42
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852030299	DD	On-Demand	Reactive	RBP4	52	33
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852030300	DD	On-Demand	Reactive	LTA4H	46	42
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852030300	DD	On-Demand	Reactive	RBP4	52	33
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852030301	DD	On-Demand	Reactive	LTA4H	46	42
O=C(CCOc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852030301	DD	On-Demand	Reactive	RBP4	52	33
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852030321	FD	On-Demand	Reactive	CHRM4	15	50
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852030321	FD	On-Demand	Reactive	GRIN2B	24	42
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852030321	FD	On-Demand	Reactive	SIGMAR1	15	40
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852030322	FD	On-Demand	Reactive	CHRM4	15	50
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852030322	FD	On-Demand	Reactive	GRIN2B	24	42
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852030322	FD	On-Demand	Reactive	SIGMAR1	15	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030353	EF	On-Demand	Reactive	HCRTR1	15	41
O=C(NCc1ncccn1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852030372	GD	On-Demand	Anodyne	EPHX2	29	46
O=C(NCc1ncccn1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852030372	GD	On-Demand	Anodyne	TGM2	68	45
O=C(NCc1ncccn1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852030372	GD	On-Demand	Anodyne	F13A1	59	45
O=C(NCc1ncccn1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852030372	GD	On-Demand	Anodyne	NAMPT	80	44
COCCN(CCF)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1	ZINC000852030373	GG	On-Demand	Anodyne	NR1I2	40	34
O=C(NCCCC1CCC1)NNC(=O)c1cccc2cccnc12	ZINC000852030384	EF	On-Demand	Reactive	HCRTR1	15	42
C=CCCC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCCC1	ZINC000852030396	FH	On-Demand	Reactive	HCN1	40	31
C=CCCC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCCC1	ZINC000852030396	FH	On-Demand	Reactive	HCN4	40	31
CCSC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CC1	ZINC000852030397	EE	On-Demand	Reactive	HCRTR1	15	43
CCSC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CC1	ZINC000852030397	EE	On-Demand	Reactive	HCN1	50	31
CCSC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CC1	ZINC000852030397	EE	On-Demand	Reactive	HCN4	47	30
O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)NCC1SCCS1	ZINC000852030401	GH	On-Demand	Anodyne	NR1I2	41	35
O=C(NCCCOC1CCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852030403	FF	On-Demand	Anodyne	ADRB1	17	41
O=C(NCCCOC1CCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852030404	FF	On-Demand	Anodyne	ADRB1	17	41
O=C(NCc1cccc(CN2CCCCCC2)c1)NCC1SCCS1	ZINC000852030417	GH	On-Demand	Anodyne	HRH2	38	52
O=C(NCc1cccc(CN2CCCCCC2)c1)NCC1SCCS1	ZINC000852030417	GH	On-Demand	Anodyne	CHRM3	21	41
O=C(NCc1cccc(CN2CCCCCC2)c1)NCC1SCCS1	ZINC000852030417	GH	On-Demand	Anodyne	SIGMAR1	19	42
C[C@@H]1CN(C(=O)NNC(=O)c2cccc3cccnc23)C[C@](C)(C(F)F)O1	ZINC000852030418	GE	On-Demand	Reactive	G2YM83_BOTF4	44	32
C[C@@H]1CN(C(=O)NNC(=O)c2cccc3cccnc23)C[C@@](C)(C(F)F)O1	ZINC000852030421	GE	On-Demand	Reactive	G2YM83_BOTF4	44	32
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852030438	DE	On-Demand	Reactive	LTA4H	35	43
O=C(CCOc1ccccc1)NNC(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852030439	GD	On-Demand	Reactive	HRH2	43	38
O=C(CCOc1ccccc1)NNC(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852030440	GD	On-Demand	Reactive	HRH2	43	38
O=C1CCC2=C(CCN(C(=O)NCc3cccc(CN4CCCCCC4)c3)C2)N1	ZINC000852030446	GG	On-Demand	Anodyne	HRH2	28	41
CC(C)(C)OC(=O)C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852030454	GH	On-Demand	Anodyne	CACNA1I	51	36
CC(C)(C)OC(=O)C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852030455	GH	On-Demand	Anodyne	CACNA1I	51	36
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852030479	FE	On-Demand	Anodyne	EPHX2	27	46
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852030479	FE	On-Demand	Anodyne	TGM2	63	45
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852030479	FE	On-Demand	Anodyne	F13A1	52	45
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852030479	FE	On-Demand	Anodyne	NAMPT	34	42
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852030480	FE	On-Demand	Anodyne	EPHX2	27	46
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852030480	FE	On-Demand	Anodyne	TGM2	63	45
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852030480	FE	On-Demand	Anodyne	F13A1	52	45
O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852030480	FE	On-Demand	Anodyne	NAMPT	34	42
O=C(NCCCCOCc1ccccc1)NCCC1SCCS1	ZINC000852030481	FG	On-Demand	Anodyne	UGCG	38	41
O=C(NCCCCOCc1ccccc1)NCCC1SCCS1	ZINC000852030481	FG	On-Demand	Anodyne	GBA	25	41
O=C(NCCCCOCc1ccccc1)NCCC1SCCS1	ZINC000852030481	FG	On-Demand	Anodyne	EPHX2	21	57
O=C(NCCCCOCc1ccccc1)NCCC1SCCS1	ZINC000852030481	FG	On-Demand	Anodyne	GBA2	56	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cscn3)C2)cc1	ZINC000852030493	EE	On-Demand	Clean	NPBWR1	74	32
O=C(NCc1ncccn1)NCC1CCN(Cc2cccs2)CC1	ZINC000852030496	EE	On-Demand	Anodyne	CACNA1I	54	35
O=C(NCCc1ccccc1Br)NCCC1SCCS1	ZINC000852030499	GG	On-Demand	Anodyne	CA9	16	41
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc3cccnc23)C1	ZINC000852030501	EF	On-Demand	Reactive	HCRTR1	18	41
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc3cccnc23)C1	ZINC000852030502	EF	On-Demand	Reactive	HCRTR1	18	41
CN(C[C@@H]1CCc2ccccc21)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852030515	FF	On-Demand	Reactive	LTA4H	27	44
CN(C[C@@H]1CCc2ccccc21)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852030515	FF	On-Demand	Reactive	PPARD	40	45
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030519	GE	On-Demand	Reactive	HCRTR1	15	42
O=C(NCCCCOCc1ccccc1)NNc1ccc(Cl)cn1	ZINC000852030520	EG	On-Demand	Reactive	PTGER1	42	36
O=C(NCC1CCN(Cc2cccs2)CC1)NNc1ccc(Cl)cn1	ZINC000852030521	GG	On-Demand	Reactive	F10	49	33
O=C(NCC1CCN(Cc2cccs2)CC1)NNc1ccc(Cl)cn1	ZINC000852030521	GG	On-Demand	Reactive	CACNA1I	61	40
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc2cccnc12	ZINC000852030522	EF	On-Demand	Reactive	HCRTR1	20	43
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc2cccnc12	ZINC000852030523	EF	On-Demand	Reactive	HCRTR1	20	43
O=C(NCCC1SCCS1)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030549	GI	On-Demand	Anodyne	ACHE	18	40
O=C(NCCC1SCCS1)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030549	GI	On-Demand	Anodyne	HRH2	45	55
O=C(NCCC1SCCS1)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030549	GI	On-Demand	Anodyne	SIGMAR1	18	40
O=C(NCCCOC1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852030550	GH	On-Demand	Anodyne	ADRB1	29	43
O=C(NCCCOC1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852030550	GH	On-Demand	Anodyne	ADRB3	23	40
O=C(NCCCOC1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852030551	GH	On-Demand	Anodyne	ADRB1	29	43
O=C(NCCCOC1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852030551	GH	On-Demand	Anodyne	ADRB3	23	40
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030561	FD	On-Demand	Reactive	HCRTR1	15	42
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1cccc2cccnc12	ZINC000852030562	ED	On-Demand	Reactive	HTR3A	22	41
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1cccc2cccnc12	ZINC000852030562	ED	On-Demand	Reactive	HCRTR1	15	40
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1cccc2cccnc12	ZINC000852030563	ED	On-Demand	Reactive	HTR3A	22	41
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1cccc2cccnc12	ZINC000852030563	ED	On-Demand	Reactive	HCRTR1	15	40
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1cccc2cccnc12	ZINC000852030564	ED	On-Demand	Reactive	HTR3A	22	41
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1cccc2cccnc12	ZINC000852030564	ED	On-Demand	Reactive	HCRTR1	15	40
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1cccc2cccnc12	ZINC000852030565	ED	On-Demand	Reactive	HTR3A	22	41
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1cccc2cccnc12	ZINC000852030565	ED	On-Demand	Reactive	HCRTR1	15	40
CN1C(=O)N[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)CC[C@@H]21	ZINC000852030569	DB	On-Demand	Anodyne	CYP2J2	49	35
CN1C(=O)N[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)CC[C@@H]21	ZINC000852030570	DB	On-Demand	Anodyne	CYP2J2	49	35
CNC(=O)CC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCCCC1	ZINC000852030571	GE	On-Demand	Reactive	HCN1	52	32
CNC(=O)CC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCCCC1	ZINC000852030571	GE	On-Demand	Reactive	HCN4	50	32
COCCN(CCF)C(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000852030574	FF	On-Demand	Anodyne	CACNA1I	58	37
C[C@@]1(CNC(=O)NNC(=O)c2cccc3cccnc23)CC1(F)F	ZINC000852030575	EE	On-Demand	Reactive	G2YM83_BOTF4	45	31
N#CC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCCCC1	ZINC000852030579	FF	On-Demand	Reactive	HCN1	51	32
N#CC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCCCC1	ZINC000852030579	FF	On-Demand	Reactive	HCN4	49	32
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CCOc2ccccc2)C1	ZINC000852030591	ED	On-Demand	Reactive	LTA4H	43	42
COC(=O)N(C)CCNC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1	ZINC000852030593	GF	On-Demand	Anodyne	NR1I2	41	33
O=C(NCCCCOCc1ccccc1)NCC1SCCS1	ZINC000852030594	EG	On-Demand	Anodyne	UGCG	38	41
O=C(NCCCCOCc1ccccc1)NCC1SCCS1	ZINC000852030594	EG	On-Demand	Anodyne	GBA	24	41
O=C(NCCCCOCc1ccccc1)NCC1SCCS1	ZINC000852030594	EG	On-Demand	Anodyne	EPHX2	26	60
O=C(NCCCCOCc1ccccc1)NCC1SCCS1	ZINC000852030594	EG	On-Demand	Anodyne	GBA2	56	41
O=C(CCOc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852030596	DD	On-Demand	Reactive	EPHX2	27	40
NC(=O)CC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCCCC1	ZINC000852030601	GE	On-Demand	Reactive	HCN1	51	32
NC(=O)CC1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCCCC1	ZINC000852030601	GE	On-Demand	Reactive	HCN4	49	32
O=C(NCC1SCCS1)NNC(=O)c1cccc2cccnc12	ZINC000852030607	ED	On-Demand	Reactive	HCRTR1	15	42
CN(CC1=CCSC1)C(=O)NNC(=O)CCOc1ccccc1	ZINC000852030608	ED	On-Demand	Reactive	LTA4H	20	41
O=C(CCOc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852030609	FD	On-Demand	Reactive	ACHE	15	40
O=C(CCOc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852030609	FD	On-Demand	Reactive	HTR4	45	36
O=C(CCOc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852030609	FD	On-Demand	Reactive	GRIN2B	39	47
O=C(CCOc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852030609	FD	On-Demand	Reactive	SIGMAR1	36	51
O=C(CCOc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852030609	FD	On-Demand	Reactive	CACNA1I	59	37
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NNC(=O)c1cccc2cccnc12	ZINC000852030618	GD	On-Demand	Reactive	HCRTR1	15	45
O=C(NCCN1C[C@H]2CCCCN2C1=O)NNC(=O)c1cccc2cccnc12	ZINC000852030619	GD	On-Demand	Reactive	HCRTR1	15	45
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)c2cccc3cccnc23)C1	ZINC000852030620	FG	On-Demand	Reactive	HCRTR1	16	43
C[C@@H]1CC(CNC(=O)NNC(=O)c2cccc3cccnc23)C[C@@H](C)C1	ZINC000852030621	FG	On-Demand	Reactive	HCRTR1	16	43
C[C@H]1CC(CNC(=O)NNC(=O)c2cccc3cccnc23)C[C@H](C)C1	ZINC000852030622	FG	On-Demand	Reactive	HCRTR1	16	43
O=C(NCc1cccc(CN2CCCCCC2)c1)NNC(=O)c1cccc(F)n1	ZINC000852030626	GF	On-Demand	Reactive	HRH2	35	45
O=C(NCc1cccc(CN2CCCCCC2)c1)NNC(=O)c1cccc(F)n1	ZINC000852030626	GF	On-Demand	Reactive	CHRM3	17	41
C[C@@]12COC[C@H]1CN(C(=O)NNC(=O)c1cccc3cccnc13)C2	ZINC000852030634	ED	On-Demand	Reactive	G2YM83_BOTF4	57	32
C[C@@]12COC[C@@H]1CN(C(=O)NNC(=O)c1cccc3cccnc13)C2	ZINC000852030635	ED	On-Demand	Reactive	G2YM83_BOTF4	57	32
O=C(NCC1CCN(Cc2cccs2)CC1)N[C@H]1C=CCC1	ZINC000852030644	DF	On-Demand	Anodyne	CACNA1I	46	33
O=C(NCC1CCN(Cc2cccs2)CC1)N[C@@H]1C=CCC1	ZINC000852030645	DF	On-Demand	Anodyne	CACNA1I	46	33
O=C(NCCC1SCCS1)NNC(=O)c1cccc2cccnc12	ZINC000852030653	FE	On-Demand	Reactive	HCRTR1	15	40
C#C[C@@H](NC(=O)NCc1cccc(CN2CCCCCC2)c1)C1CCOCC1	ZINC000852030654	GG	On-Demand	Mild	HRH2	35	43
C#C[C@H](NC(=O)NCc1cccc(CN2CCCCCC2)c1)C1CCOCC1	ZINC000852030655	GG	On-Demand	Mild	HRH2	35	43
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCc2cscn2)O1	ZINC000852030665	GD	On-Demand	Reactive	SCN5A	40	34
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852030681	FH	On-Demand	Anodyne	HRH2	35	49
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852030681	FH	On-Demand	Anodyne	MCHR2	43	34
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@H]1COC2(CCC2)C1	ZINC000852030682	FH	On-Demand	Anodyne	HRH2	35	49
O=C(NCc1cccc(CN2CCCCCC2)c1)N[C@H]1COC2(CCC2)C1	ZINC000852030682	FH	On-Demand	Anodyne	MCHR2	43	34
O=C(NCCCOC1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852030689	FH	On-Demand	Anodyne	ADRB1	25	41
O=C(NCCCOC1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852030690	FH	On-Demand	Anodyne	ADRB1	25	41
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852030697	GE	On-Demand	Reactive	CYSLTR2	43	33
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852030697	GE	On-Demand	Reactive	CPT1A	44	33
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852030698	GE	On-Demand	Reactive	CYSLTR2	43	33
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852030698	GE	On-Demand	Reactive	CPT1A	44	33
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852030699	GE	On-Demand	Reactive	CYSLTR2	43	33
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852030699	GE	On-Demand	Reactive	CPT1A	44	33
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852030700	GE	On-Demand	Reactive	CYSLTR2	43	33
O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852030700	GE	On-Demand	Reactive	CPT1A	44	33
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NNC(=O)CCOc2ccccc2)O1	ZINC000852030704	GB	On-Demand	Reactive	CYSLTR2	52	33
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NNC(=O)CCOc2ccccc2)O1	ZINC000852030705	GB	On-Demand	Reactive	CYSLTR2	52	33
COC(=O)N(C)CCNC(=O)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030708	GF	On-Demand	Anodyne	ACHE	15	49
COC(=O)N(C)CCNC(=O)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030708	GF	On-Demand	Anodyne	HRH2	52	56
COC(=O)N(C)CCNC(=O)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030708	GF	On-Demand	Anodyne	CHRM3	16	41
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCOc1ccccc1	ZINC000852030709	EE	On-Demand	Reactive	LTA4H	46	41
O=C(NCc1cccc(CN2CCCCCC2)c1)NCc1ncccn1	ZINC000852030717	FF	On-Demand	Anodyne	HRH2	57	57
O=C(NCc1cccc(CN2CCCCCC2)c1)NCc1ncccn1	ZINC000852030717	FF	On-Demand	Anodyne	CHRM3	20	43
O=C(NCc1cccc(CN2CCCCCC2)c1)NCc1ncccn1	ZINC000852030717	FF	On-Demand	Anodyne	HRH3	26	41
O=C(NCc1cccc(CN2CCCCCC2)c1)NCc1ncccn1	ZINC000852030717	FF	On-Demand	Anodyne	SIGMAR1	21	42
O=C(NCc1cccc(CN2CCCCCC2)c1)NCc1ncccn1	ZINC000852030717	FF	On-Demand	Anodyne	HNMT	58	33
O=C(NCc1cccc(CN2CCCCCC2)c1)NCc1ncccn1	ZINC000852030717	FF	On-Demand	Anodyne	NPFFR1	41	35
O=C(NCc1cccc(CN2CCCCCC2)c1)NCc1ncccn1	ZINC000852030717	FF	On-Demand	Anodyne	NAMPT	40	42
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852030727	GE	On-Demand	Reactive	DRD2	18	46
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852030727	GE	On-Demand	Reactive	GRIN2B	23	40
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852030727	GE	On-Demand	Reactive	LTA4H	56	39
O=C(CCOc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852030727	GE	On-Demand	Reactive	SIGMAR1	27	42
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852030728	GE	On-Demand	Reactive	DRD2	18	46
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852030728	GE	On-Demand	Reactive	GRIN2B	23	40
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852030728	GE	On-Demand	Reactive	LTA4H	56	39
O=C(CCOc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852030728	GE	On-Demand	Reactive	SIGMAR1	27	42
COc1ccc(N2CC[C@H](NC(=O)NCCCOC3CCCC3)C2)cc1	ZINC000852030732	FF	On-Demand	Clean	HRH2	18	41
COc1ccc(N2CC[C@H](NC(=O)NCCCOC3CCCC3)C2)cc1	ZINC000852030732	FF	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NCCCOC3CCCC3)C2)cc1	ZINC000852030732	FF	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)NCCCOC3CCCC3)C2)cc1	ZINC000852030732	FF	On-Demand	Clean	EPHX2	19	44
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030734	FE	On-Demand	Reactive	HCRTR1	20	48
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030735	FE	On-Demand	Reactive	HCRTR1	20	48
O=C(NCCC1SCCS1)NCC1CCN(Cc2cccs2)CC1	ZINC000852030738	GG	On-Demand	Anodyne	CACNA1I	46	34
O=C(CCOc1ccccc1)NNC(=O)N1CCOc2ccc(O)cc2C1	ZINC000852030741	FD	On-Demand	Reactive	ESR1	54	34
O=C(CCOc1ccccc1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852030742	FE	On-Demand	Reactive	CPT1A	74	34
NC(=O)c1cccc2c1CCN(C(=O)NNC(=O)CCOc1ccccc1)C2	ZINC000852030744	GD	On-Demand	Reactive	CPT2	15	42
COC(=O)N(C)CCNC(=O)NCCc1ccccc1Br	ZINC000852030748	FD	On-Demand	Anodyne	MTNR1A	37	43
COCCN(CCF)C(=O)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030755	FG	On-Demand	Anodyne	DRD2	16	44
COCCN(CCF)C(=O)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030755	FG	On-Demand	Anodyne	HRH2	38	48
COCCN(CCF)C(=O)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030755	FG	On-Demand	Anodyne	CHRM3	17	42
COCCN(CCF)C(=O)NCc1cccc(CN2CCCCCC2)c1	ZINC000852030755	FG	On-Demand	Anodyne	HRH3	16	43
O=C(NCCCCOCc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852030823	EF	On-Demand	Anodyne	EPHX2	25	55
O=C(NCCCCOCc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852030824	EF	On-Demand	Anodyne	EPHX2	25	55
O=C(NCCCCOCc1ccccc1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852030833	GI	On-Demand	Anodyne	ADRB2	45	40
O=C(NCCCCOCc1ccccc1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852030833	GI	On-Demand	Anodyne	ADRB1	24	44
O=C(NCCCCOCc1ccccc1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852030833	GI	On-Demand	Anodyne	ADRB3	18	44
O=C(NCCCCOCc1ccccc1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852030833	GI	On-Demand	Anodyne	CAPN2	18	44
O=C(NCCCCOCc1ccccc1)NC[C@H](O)c1cccc2ccccc12	ZINC000852030834	GI	On-Demand	Anodyne	ADRB2	45	40
O=C(NCCCCOCc1ccccc1)NC[C@H](O)c1cccc2ccccc12	ZINC000852030834	GI	On-Demand	Anodyne	ADRB1	24	44
O=C(NCCCCOCc1ccccc1)NC[C@H](O)c1cccc2ccccc12	ZINC000852030834	GI	On-Demand	Anodyne	ADRB3	18	44
O=C(NCCCCOCc1ccccc1)NC[C@H](O)c1cccc2ccccc12	ZINC000852030834	GI	On-Demand	Anodyne	CAPN2	18	44
O=C(NCCc1nccs1)NCc1ncccn1	ZINC000852030872	CC	On-Demand	Anodyne	MAP1	41	32
C=CCCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852030878	GF	On-Demand	Reactive	MMP3	17	41
C=CCCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852030878	GF	On-Demand	Reactive	MMP8	18	41
C=CCCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852030878	GF	On-Demand	Reactive	ADAM9	58	35
C=CCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852030879	GF	On-Demand	Reactive	MMP3	17	41
C=CCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852030879	GF	On-Demand	Reactive	MMP8	18	41
C=CCCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852030879	GF	On-Demand	Reactive	ADAM9	58	35
Cc1nnc(CN(C)C(=O)NNC(=O)CCOc2ccccc2)s1	ZINC000852030886	ED	On-Demand	Reactive	LTA4H	16	40
O=C(CCOc1ccccc1)NNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852030897	GD	On-Demand	Reactive	LTA4H	17	45
O=C(NCCCOC1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852030916	GF	On-Demand	Clean	HRH2	17	41
O=C(NNC(=O)N1CC[C@H](C2CCCCC2)C1)c1cccc2cccnc12	ZINC000852030925	FG	On-Demand	Reactive	HCRTR1	15	44
O=C(NNC(=O)N1CC[C@@H](C2CCCCC2)C1)c1cccc2cccnc12	ZINC000852030926	FG	On-Demand	Reactive	HCRTR1	15	44
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc2cccnc12	ZINC000852030929	GE	On-Demand	Reactive	HCRTR1	16	44
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc2cccnc12	ZINC000852030929	GE	On-Demand	Reactive	CCR3	39	53
O=C(CCOc1ccccc1)NNC(=O)NCC1SCCS1	ZINC000852030939	ED	On-Demand	Reactive	GRIN2B	17	42
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc3cccnc23)C1	ZINC000852030941	EE	On-Demand	Reactive	HCRTR1	18	41
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc3cccnc23)C1	ZINC000852030942	EE	On-Demand	Reactive	HCRTR1	18	41
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030944	GE	On-Demand	Reactive	HCRTR1	15	42
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030946	GE	On-Demand	Reactive	HCRTR1	15	42
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2cccnc12	ZINC000852030957	GE	On-Demand	Reactive	HTR4	54	48
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2cccnc12	ZINC000852030957	GE	On-Demand	Reactive	HCRTR1	16	44
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2cccnc12	ZINC000852030957	GE	On-Demand	Reactive	CCR3	23	47
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2cccnc12	ZINC000852030957	GE	On-Demand	Reactive	CACNA1I	58	36
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2cccnc12	ZINC000852030957	GE	On-Demand	Reactive	HCN1	47	32
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2cccnc12	ZINC000852030957	GE	On-Demand	Reactive	HCN4	41	32
O=C(NNC(=O)N1CCC[C@H](C2CCC2)C1)c1cccc2cccnc12	ZINC000852030959	FG	On-Demand	Reactive	HCRTR1	17	43
O=C(NNC(=O)N1CCC[C@@H](C2CCC2)C1)c1cccc2cccnc12	ZINC000852030960	FG	On-Demand	Reactive	HCRTR1	17	43
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2cccs2)CC1	ZINC000852030980	FD	On-Demand	Anodyne	CACNA1I	56	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030984	EG	On-Demand	Reactive	PDE4D	48	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc2cccnc12	ZINC000852030984	EG	On-Demand	Reactive	PDE4C	65	35
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc2cccnc12	ZINC000852031088	DD	On-Demand	Reactive	HCRTR1	15	43
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc2cccnc12	ZINC000852031088	DD	On-Demand	Reactive	RBP4	52	34
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc2cccnc12	ZINC000852031088	DD	On-Demand	Reactive	WNT3	15	41
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc2cccnc12	ZINC000852031089	DD	On-Demand	Reactive	HCRTR1	15	43
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc2cccnc12	ZINC000852031089	DD	On-Demand	Reactive	RBP4	52	34
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc2cccnc12	ZINC000852031089	DD	On-Demand	Reactive	WNT3	15	41
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc2cccnc12	ZINC000852031090	DD	On-Demand	Reactive	HCRTR1	15	43
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc2cccnc12	ZINC000852031090	DD	On-Demand	Reactive	RBP4	52	34
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc2cccnc12	ZINC000852031090	DD	On-Demand	Reactive	WNT3	15	41
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc2cccnc12	ZINC000852031091	DD	On-Demand	Reactive	HCRTR1	15	43
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc2cccnc12	ZINC000852031091	DD	On-Demand	Reactive	RBP4	52	34
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc2cccnc12	ZINC000852031091	DD	On-Demand	Reactive	WNT3	15	41
O=C(NCCCCOCc1ccccc1)NCc1ncccn1	ZINC000852031092	DE	On-Demand	Anodyne	HRH2	21	40
O=C(NCCCCOCc1ccccc1)NCc1ncccn1	ZINC000852031092	DE	On-Demand	Anodyne	EPHX2	16	54
O=C(NCCCCOCc1ccccc1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852031095	GG	On-Demand	Anodyne	ADRB2	34	45
O=C(NCCCCOCc1ccccc1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852031095	GG	On-Demand	Anodyne	ADRB1	31	45
O=C(NCCCCOCc1ccccc1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852031095	GG	On-Demand	Anodyne	ADRB3	29	45
O=C(NCCCCOCc1ccccc1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852031096	GG	On-Demand	Anodyne	ADRB2	34	45
O=C(NCCCCOCc1ccccc1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852031096	GG	On-Demand	Anodyne	ADRB1	31	45
O=C(NCCCCOCc1ccccc1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852031096	GG	On-Demand	Anodyne	ADRB3	29	45
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc3cccnc23)O1	ZINC000852031111	EE	On-Demand	Reactive	HCRTR1	15	42
O=C(NNC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1cccc2cccnc12	ZINC000852031122	FD	On-Demand	Reactive	HCRTR1	16	45
O=C(NNC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1cccc2cccnc12	ZINC000852031123	FD	On-Demand	Reactive	HCRTR1	16	45
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCCCOCc2ccccc2)O1	ZINC000852031150	GD	On-Demand	Reactive	GBA2	52	39
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCCCOCc2ccccc2)O1	ZINC000852031152	GD	On-Demand	Reactive	GBA2	52	39
CC(C)(C)OC(=O)C1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCC1	ZINC000852031160	GF	On-Demand	Reactive	HCN1	50	31
CC(C)(C)OC(=O)C1(CNC(=O)NNC(=O)c2cccc3cccnc23)CCC1	ZINC000852031160	GF	On-Demand	Reactive	HCN4	47	30
O=C(NCC1CCN(Cc2cccs2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852031174	GE	On-Demand	Reactive	CACNA1I	40	35
O=C(NNC(=O)N1CCC(C2CCC2)CC1)c1cccc2cccnc12	ZINC000852031175	FG	On-Demand	Reactive	HCRTR1	15	44
COc1ccc([C@@H]2CCCN2C(=O)NCc2ncc(C)c(OC)c2C)cc1F	ZINC000852031191	GH	On-Demand	Anodyne	ACKR3	57	32
CO[C@@H](C)CNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031359	GD	On-Demand	Reactive	OPRD1	56	36
CO[C@@H](C)CNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031359	GD	On-Demand	Reactive	CFTR	49	34
CO[C@@H](C)CNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031359	GD	On-Demand	Reactive	ADAM9	64	38
CO[C@@H](C)CNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031360	GD	On-Demand	Reactive	OPRD1	56	36
CO[C@@H](C)CNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031360	GD	On-Demand	Reactive	CFTR	49	34
CO[C@@H](C)CNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031360	GD	On-Demand	Reactive	ADAM9	64	38
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	HTR1A	16	42
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	DRD4	36	42
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	HRH2	20	40
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	DRD3	42	39
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	UGCG	37	41
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	SIGMAR1	21	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	CCR3	25	40
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	MTNR1A	22	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	MTNR1B	22	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	EPHX2	21	46
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	GBA2	50	41
COc1ccc(N2CC[C@H](NC(=O)NCCCCOCc3ccccc3)C2)cc1	ZINC000852031397	GH	On-Demand	Clean	MCHR1	22	49
O=C(CCc1ccco1)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852031461	GG	On-Demand	Reactive	KCNH2	40	39
O=C(NCCCCOCc1ccccc1)N[C@H]1C=CCC1	ZINC000852031530	CG	On-Demand	Anodyne	EPHX2	20	53
O=C(NCCCCOCc1ccccc1)N[C@@H]1C=CCC1	ZINC000852031531	CG	On-Demand	Anodyne	EPHX2	20	53
O=C(NCCCCOCc1ccccc1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852031562	GD	On-Demand	Reactive	CTRA_BOVIN	40	31
O=C(NCCCCOCc1ccccc1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852031562	GD	On-Demand	Reactive	GBA2	40	38
O=C(NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)N[C@H]1C=CCC1	ZINC000852031606	GF	On-Demand	Reactive	ADAM9	54	34
O=C(NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1)N[C@@H]1C=CCC1	ZINC000852031607	GF	On-Demand	Reactive	ADAM9	54	34
O=C(NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)N[C@@H]1C=CCC1	ZINC000852031608	GF	On-Demand	Reactive	ADAM9	54	34
O=C(NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1)N[C@H]1C=CCC1	ZINC000852031609	GF	On-Demand	Reactive	ADAM9	54	34
O=C(CCc1ccco1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852031610	GD	On-Demand	Reactive	ACHE	28	43
O=C(CCc1ccco1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852031610	GD	On-Demand	Reactive	SIGMAR1	24	40
O=C(CCc1ccco1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852031610	GD	On-Demand	Reactive	CACNA1I	41	37
COc1ccc(N2CC[C@H](NC(=O)NCc3ncc(C)c(OC)c3C)C2)cc1	ZINC000852031636	GF	On-Demand	Clean	MTNR1A	15	46
O=C(CCc1ccco1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852031655	FD	On-Demand	Reactive	SCN2A	17	41
O=C(CCc1ccco1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852031655	FD	On-Demand	Reactive	SCN10A	18	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3nccs3)C2)cc1	ZINC000852031661	EE	On-Demand	Clean	MTNR1A	21	43
C=C[C@H](CO)NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031708	GD	On-Demand	Reactive	OPRD1	45	36
C=C[C@H](CO)NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031708	GD	On-Demand	Reactive	MMP3	15	40
C=C[C@H](CO)NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031708	GD	On-Demand	Reactive	MMP8	15	40
C=C[C@H](CO)NC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031708	GD	On-Demand	Reactive	ADAM9	54	34
C=C[C@H](CO)NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031709	GD	On-Demand	Reactive	OPRD1	45	36
C=C[C@H](CO)NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031709	GD	On-Demand	Reactive	MMP3	15	40
C=C[C@H](CO)NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031709	GD	On-Demand	Reactive	MMP8	15	40
C=C[C@H](CO)NC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1	ZINC000852031709	GD	On-Demand	Reactive	ADAM9	54	34
O=C(NCCS(=O)(=O)N1CCOCC1)NCc1cccnc1N1CCCC1	ZINC000852031989	GC	On-Demand	Anodyne	SCN2A	17	42
O=C(NCCS(=O)(=O)N1CCOCC1)NCc1cccnc1N1CCCC1	ZINC000852031989	GC	On-Demand	Anodyne	SCN10A	24	46
O=C(NCCS(=O)(=O)N1CCOCC1)NCc1cccnc1N1CCCC1	ZINC000852031989	GC	On-Demand	Anodyne	NAMPT	36	41
CCC(CC)(CNC(=O)NNC(=O)CCc1ccco1)c1ccc(F)cc1	ZINC000852032031	GG	On-Demand	Reactive	CACNA1G	36	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	HTR1A	56	45
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	DRD2	46	44
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	DRD4	25	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	ADRA1D	19	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	HTR2A	45	45
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	HTR2C	30	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	ADRA1A	20	44
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	DRD3	63	45
O=C(NCCCN1CCN(c2ccncc2)CC1)NCCC1SCCS1	ZINC000852032071	GE	On-Demand	Anodyne	HTR7	45	37
O=C(NCCS(=O)(=O)N1CCOCC1)NNc1ccc(Cl)cn1	ZINC000852032083	FC	On-Demand	Reactive	F10	31	43
O=C(NCCS(=O)(=O)N1CCOCC1)NNc1ccc(Cl)cn1	ZINC000852032083	FC	On-Demand	Reactive	SLC6A9	42	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	HTR1A	55	46
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	DRD2	45	44
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	DRD4	25	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	ADRA1D	19	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	HTR2A	44	45
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	HTR2C	29	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	ADRA1A	21	44
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	DRD3	63	45
O=C(NCCCN1CCN(c2ccncc2)CC1)NCC1SCCS1	ZINC000852032084	GD	On-Demand	Anodyne	HTR7	43	37
O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccc(Cl)c(Cl)c1	ZINC000852032090	GD	On-Demand	Anodyne	SLC6A9	44	40
O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccc(Cl)c(Cl)c1	ZINC000852032090	GD	On-Demand	Anodyne	NAMPT	49	44
O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccc(Cl)c(Cl)c1	ZINC000852032090	GD	On-Demand	Anodyne	RPA1	53	31
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1Cc2ccccc2O1	ZINC000852032150	GD	On-Demand	Reactive	SCN2A	18	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1Cc2ccccc2O1	ZINC000852032150	GD	On-Demand	Reactive	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1Cc2ccccc2O1	ZINC000852032151	GD	On-Demand	Reactive	SCN2A	18	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1Cc2ccccc2O1	ZINC000852032151	GD	On-Demand	Reactive	SCN10A	19	42
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)[C@H]1Cc2ccccc2O1	ZINC000852032207	FD	On-Demand	Reactive	CACNA1I	48	32
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)[C@@H]1Cc2ccccc2O1	ZINC000852032208	FD	On-Demand	Reactive	CACNA1I	48	32
O=C1CCC2=C(CCN(C(=O)NCCCN3CCN(c4ccncc4)CC3)C2)N1	ZINC000852032221	GD	On-Demand	Anodyne	HTR1A	28	40
O=C1CCC2=C(CCN(C(=O)NCCCN3CCN(c4ccncc4)CC3)C2)N1	ZINC000852032221	GD	On-Demand	Anodyne	ADRA1D	21	41
O=C1CCC2=C(CCN(C(=O)NCCCN3CCN(c4ccncc4)CC3)C2)N1	ZINC000852032221	GD	On-Demand	Anodyne	HTR2A	26	40
O=C1CCC2=C(CCN(C(=O)NCCCN3CCN(c4ccncc4)CC3)C2)N1	ZINC000852032221	GD	On-Demand	Anodyne	ADRA1B	22	41
O=C1CCC2=C(CCN(C(=O)NCCCN3CCN(c4ccncc4)CC3)C2)N1	ZINC000852032221	GD	On-Demand	Anodyne	DRD3	21	40
O=C(CCc1ccco1)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852032254	GF	On-Demand	Reactive	TRPM8	15	49
C#C[C@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CCOCC1	ZINC000852032275	GD	On-Demand	Mild	HTR1A	30	40
C#C[C@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CCOCC1	ZINC000852032275	GD	On-Demand	Mild	HTR2A	27	40
C#C[C@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CCOCC1	ZINC000852032275	GD	On-Demand	Mild	DRD3	41	40
C#C[C@@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CCOCC1	ZINC000852032276	GD	On-Demand	Mild	HTR1A	30	40
C#C[C@@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CCOCC1	ZINC000852032276	GD	On-Demand	Mild	HTR2A	27	40
C#C[C@@H](NC(=O)NCCCN1CCN(c2ccncc2)CC1)C1CCOCC1	ZINC000852032276	GD	On-Demand	Mild	DRD3	41	40
O=C(NCCC(=O)N1CCCCCC1)NNc1ccc(Cl)cn1	ZINC000852032302	EE	On-Demand	Reactive	F10	26	45
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	HTR1A	70	46
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	DRD2	53	41
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	DRD4	43	36
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	ADRA1D	37	47
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	HTR2A	51	44
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	HTR2C	36	41
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	ADRA1A	44	47
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	ADRA1B	21	44
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	DRD3	76	44
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	HTR7	72	40
COC(=O)N(C)CCNC(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032349	GC	On-Demand	Anodyne	NPY1R	15	41
COc1cccc(OC)c1CNC(=O)NCCS(=O)(=O)N1CCOCC1	ZINC000852032359	GC	On-Demand	Anodyne	SLC6A9	29	41
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1C=CCC1	ZINC000852032372	ED	On-Demand	Anodyne	HTR1A	48	44
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1C=CCC1	ZINC000852032372	ED	On-Demand	Anodyne	DRD2	37	43
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1C=CCC1	ZINC000852032372	ED	On-Demand	Anodyne	DRD4	22	41
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1C=CCC1	ZINC000852032372	ED	On-Demand	Anodyne	HTR2A	39	44
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1C=CCC1	ZINC000852032372	ED	On-Demand	Anodyne	HTR2C	27	41
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1C=CCC1	ZINC000852032372	ED	On-Demand	Anodyne	ADRA1A	17	40
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1C=CCC1	ZINC000852032372	ED	On-Demand	Anodyne	DRD3	57	44
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1C=CCC1	ZINC000852032373	ED	On-Demand	Anodyne	HTR1A	48	44
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1C=CCC1	ZINC000852032373	ED	On-Demand	Anodyne	DRD2	37	43
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1C=CCC1	ZINC000852032373	ED	On-Demand	Anodyne	DRD4	22	41
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1C=CCC1	ZINC000852032373	ED	On-Demand	Anodyne	HTR2A	39	44
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1C=CCC1	ZINC000852032373	ED	On-Demand	Anodyne	HTR2C	27	41
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1C=CCC1	ZINC000852032373	ED	On-Demand	Anodyne	ADRA1A	17	40
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1C=CCC1	ZINC000852032373	ED	On-Demand	Anodyne	DRD3	57	44
O=C(NCCC(=O)N1CCCCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852032388	GF	On-Demand	Anodyne	DPP7	34	40
O=C(NCCC(=O)N1CCCCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852032389	GF	On-Demand	Anodyne	DPP7	34	40
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	HTR1A	61	44
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	DRD2	54	43
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	DRD4	44	36
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	ADRA1D	38	41
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	HTR2A	48	44
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	HTR2C	35	41
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	ADRA1A	49	41
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	ADRA1B	24	40
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	DRD3	82	44
COCCN(CCF)C(=O)NCCCN1CCN(c2ccncc2)CC1	ZINC000852032403	FD	On-Demand	Anodyne	HTR7	55	41
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)N3CCCCCC3)C2)cc1	ZINC000852032517	GE	On-Demand	Clean	C3AR1	19	41
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)N3CCCCCC3)C2)cc1	ZINC000852032517	GE	On-Demand	Clean	MTNR1A	21	47
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)N3CCCCCC3)C2)cc1	ZINC000852032517	GE	On-Demand	Clean	MTNR1B	19	47
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)N3CCCCCC3)C2)cc1	ZINC000852032517	GE	On-Demand	Clean	EPHX2	25	47
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852032526	FD	On-Demand	Anodyne	HTR1A	29	42
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852032526	FD	On-Demand	Anodyne	DRD2	20	40
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852032526	FD	On-Demand	Anodyne	HTR2A	25	41
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852032526	FD	On-Demand	Anodyne	DRD3	29	41
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852032527	FD	On-Demand	Anodyne	HTR1A	29	42
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852032527	FD	On-Demand	Anodyne	DRD2	20	40
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852032527	FD	On-Demand	Anodyne	HTR2A	25	41
O=C(NCCCN1CCN(c2ccncc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852032527	FD	On-Demand	Anodyne	DRD3	29	41
O=C(CCc1ccco1)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852032541	GE	On-Demand	Reactive	SSTR3	29	42
O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H]1C[C@H]1c1ccccc1Cl	ZINC000852032739	GD	On-Demand	Anodyne	SLC6A9	32	41
O=C(NCCS(=O)(=O)N1CCOCC1)NCc1ccc2occc2c1	ZINC000852032753	FC	On-Demand	Anodyne	NAMPT	20	40
CCSC1(CNC(=O)NCCS(=O)(=O)N2CCOCC2)CC1	ZINC000852032767	FC	On-Demand	Anodyne	SLC6A9	36	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	HTR1A	96	54
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	DRD2	77	46
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	DRD1	16	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	DRD4	46	44
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	ADRA1D	37	48
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	HTR2A	70	54
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	HTR2C	38	46
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	SLC6A4	17	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	ADRA1A	54	48
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	ADRA1B	26	45
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	DRD3	90	54
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	HTR7	110	42
O=C(NCCCN1CCN(c2ccncc2)CC1)NCc1ncccn1	ZINC000852032839	FC	On-Demand	Anodyne	CCR3	21	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	HTR1A	63	46
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	DRD2	54	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	DRD1	17	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	DRD4	43	43
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	ADRA1D	38	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	HTR2A	57	46
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	HTR2C	37	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	SLC6A4	16	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	ADRA1A	44	41
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	DRD3	73	46
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	F10	24	40
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	HRP1_PLAFA	69	38
O=C(NCCCN1CCN(c2ccncc2)CC1)NNc1ccc(Cl)cn1	ZINC000852032919	GD	On-Demand	Reactive	HTR7	62	42
O=C(CCc1ccco1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852032928	ED	On-Demand	Reactive	CACNA1I	52	35
C=CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1	ZINC000852032949	EC	On-Demand	Mild	PGA5	41	31
C=CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCOCC2)C1	ZINC000852032950	EC	On-Demand	Mild	PGA5	41	31
O=C(N[C@@H]1CCCOc2ccccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852033030	EE	On-Demand	Anodyne	BIRC3	47	36
O=C(N[C@H]1CCCOc2ccccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852033031	EE	On-Demand	Anodyne	BIRC3	47	36
O=C(N[C@@H]1CCCOc2ccccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852033032	EE	On-Demand	Anodyne	BIRC3	47	36
O=C(N[C@H]1CCCOc2ccccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852033033	EE	On-Demand	Anodyne	BIRC3	47	36
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033053	DF	On-Demand	Anodyne	HTR1A	66	43
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033053	DF	On-Demand	Anodyne	DRD2	49	43
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033053	DF	On-Demand	Anodyne	DRD4	28	40
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033053	DF	On-Demand	Anodyne	ADRA1D	45	36
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033053	DF	On-Demand	Anodyne	ADRA1A	41	37
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033053	DF	On-Demand	Anodyne	DRD3	54	40
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033053	DF	On-Demand	Anodyne	HTR7	44	39
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033054	DF	On-Demand	Anodyne	HTR1A	66	43
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033054	DF	On-Demand	Anodyne	DRD2	49	43
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033054	DF	On-Demand	Anodyne	DRD4	28	40
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033054	DF	On-Demand	Anodyne	ADRA1D	45	36
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033054	DF	On-Demand	Anodyne	ADRA1A	41	37
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033054	DF	On-Demand	Anodyne	DRD3	54	40
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852033054	DF	On-Demand	Anodyne	HTR7	44	39
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033055	DF	On-Demand	Anodyne	HTR1A	66	43
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033055	DF	On-Demand	Anodyne	DRD2	49	43
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033055	DF	On-Demand	Anodyne	DRD4	28	40
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033055	DF	On-Demand	Anodyne	ADRA1D	45	36
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033055	DF	On-Demand	Anodyne	ADRA1A	41	37
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033055	DF	On-Demand	Anodyne	DRD3	54	40
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033055	DF	On-Demand	Anodyne	HTR7	44	39
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033056	DF	On-Demand	Anodyne	HTR1A	66	43
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033056	DF	On-Demand	Anodyne	DRD2	49	43
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033056	DF	On-Demand	Anodyne	DRD4	28	40
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033056	DF	On-Demand	Anodyne	ADRA1D	45	36
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033056	DF	On-Demand	Anodyne	ADRA1A	41	37
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033056	DF	On-Demand	Anodyne	DRD3	54	40
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852033056	DF	On-Demand	Anodyne	HTR7	44	39
O=C(NCCCc1ccc(Cl)cc1)NCc1ncccn1	ZINC000852033078	DF	On-Demand	Anodyne	SCNN1A	54	34
O=C(NCCCc1ccc(Cl)cc1)NCc1ncccn1	ZINC000852033078	DF	On-Demand	Anodyne	SLC6A5	15	41
O=C(NCc1ccc(Oc2ccccc2)nc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852033111	GF	On-Demand	Anodyne	NPSR1	26	40
O=C(NCc1ccc(Oc2ccccc2)nc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852033112	GF	On-Demand	Anodyne	NPSR1	26	40
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccccc4OC)CC3)C2)cc1	ZINC000852033136	GG	On-Demand	Clean	KCNA3	44	41
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccccc4OC)CC3)C2)cc1	ZINC000852033136	GG	On-Demand	Clean	MTNR1A	20	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccccc4OC)CC3)C2)cc1	ZINC000852033136	GG	On-Demand	Clean	MTNR1B	20	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccccc4OC)CC3)C2)cc1	ZINC000852033136	GG	On-Demand	Clean	SOAT1	18	47
O=C(NCCCc1ccc(Cl)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852033171	FF	On-Demand	Anodyne	NR1D1	15	41
O=C(NCCCc1ccc(Cl)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852033172	FF	On-Demand	Anodyne	NR1D1	15	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)cc(F)c3)C2)cc1	ZINC000852033184	GG	On-Demand	Clean	CCR3	52	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)cc(F)c3)C2)cc1	ZINC000852033184	GG	On-Demand	Clean	MTNR1A	46	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)cc(F)c3)C2)cc1	ZINC000852033184	GG	On-Demand	Clean	MTNR1B	38	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)cc(F)c3)C2)cc1	ZINC000852033184	GG	On-Demand	Clean	MCHR1	26	49
COc1ccccc1N1CC[C@H](CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852033188	GF	On-Demand	Anodyne	HTR1A	46	42
COc1ccccc1N1CC[C@H](CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852033188	GF	On-Demand	Anodyne	DRD2	33	42
COc1ccccc1N1CC[C@@H](CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852033189	GF	On-Demand	Anodyne	HTR1A	46	42
COc1ccccc1N1CC[C@@H](CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852033189	GF	On-Demand	Anodyne	DRD2	33	42
O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cccc(F)n1	ZINC000852033191	GA	On-Demand	Reactive	SLC6A9	24	40
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852033205	FE	On-Demand	Anodyne	HTR1A	66	44
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852033205	FE	On-Demand	Anodyne	DRD2	63	44
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852033205	FE	On-Demand	Anodyne	DRD4	37	43
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852033205	FE	On-Demand	Anodyne	ADRA1D	42	38
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852033205	FE	On-Demand	Anodyne	ADRA1A	40	38
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852033205	FE	On-Demand	Anodyne	DRD3	68	41
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852033205	FE	On-Demand	Anodyne	HTR7	45	40
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852033205	FE	On-Demand	Anodyne	ACKR3	67	33
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852033206	FE	On-Demand	Anodyne	HTR1A	66	44
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852033206	FE	On-Demand	Anodyne	DRD2	63	44
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852033206	FE	On-Demand	Anodyne	DRD4	37	43
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852033206	FE	On-Demand	Anodyne	ADRA1D	42	38
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852033206	FE	On-Demand	Anodyne	ADRA1A	40	38
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852033206	FE	On-Demand	Anodyne	DRD3	68	41
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852033206	FE	On-Demand	Anodyne	HTR7	45	40
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852033206	FE	On-Demand	Anodyne	ACKR3	67	33
COc1ccccc1N1CC[C@@H](CNC(=O)N2CCC3=C(CCC(=O)N3)C2)C1	ZINC000852033209	GE	On-Demand	Anodyne	HTR1A	52	39
COc1ccccc1N1CC[C@@H](CNC(=O)N2CCC3=C(CCC(=O)N3)C2)C1	ZINC000852033209	GE	On-Demand	Anodyne	ADRA1D	40	36
COc1ccccc1N1CC[C@@H](CNC(=O)N2CCC3=C(CCC(=O)N3)C2)C1	ZINC000852033209	GE	On-Demand	Anodyne	DRD3	42	36
COc1ccccc1N1CC[C@H](CNC(=O)N2CCC3=C(CCC(=O)N3)C2)C1	ZINC000852033210	GE	On-Demand	Anodyne	HTR1A	52	39
COc1ccccc1N1CC[C@H](CNC(=O)N2CCC3=C(CCC(=O)N3)C2)C1	ZINC000852033210	GE	On-Demand	Anodyne	ADRA1D	40	36
COc1ccccc1N1CC[C@H](CNC(=O)N2CCC3=C(CCC(=O)N3)C2)C1	ZINC000852033210	GE	On-Demand	Anodyne	DRD3	42	36
C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033211	FE	On-Demand	Mild	HTR1A	52	44
C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033211	FE	On-Demand	Mild	DRD2	39	44
C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033211	FE	On-Demand	Mild	DRD4	20	40
C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033211	FE	On-Demand	Mild	ADRA1D	46	37
C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033211	FE	On-Demand	Mild	DRD3	43	40
C#C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033211	FE	On-Demand	Mild	HTR7	32	40
C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033212	FE	On-Demand	Mild	HTR1A	52	44
C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033212	FE	On-Demand	Mild	DRD2	39	44
C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033212	FE	On-Demand	Mild	DRD4	20	40
C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033212	FE	On-Demand	Mild	ADRA1D	46	37
C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033212	FE	On-Demand	Mild	DRD3	43	40
C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033212	FE	On-Demand	Mild	HTR7	32	40
C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033213	FE	On-Demand	Mild	HTR1A	52	44
C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033213	FE	On-Demand	Mild	DRD2	39	44
C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033213	FE	On-Demand	Mild	DRD4	20	40
C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033213	FE	On-Demand	Mild	ADRA1D	46	37
C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033213	FE	On-Demand	Mild	DRD3	43	40
C#C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033213	FE	On-Demand	Mild	HTR7	32	40
C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033214	FE	On-Demand	Mild	HTR1A	52	44
C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033214	FE	On-Demand	Mild	DRD2	39	44
C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033214	FE	On-Demand	Mild	DRD4	20	40
C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033214	FE	On-Demand	Mild	ADRA1D	46	37
C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033214	FE	On-Demand	Mild	DRD3	43	40
C#C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852033214	FE	On-Demand	Mild	HTR7	32	40
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033227	GD	On-Demand	Reactive	HTR1A	67	57
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033227	GD	On-Demand	Reactive	DRD2	52	57
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033227	GD	On-Demand	Reactive	DRD4	33	57
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033227	GD	On-Demand	Reactive	ADRA1D	41	36
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033227	GD	On-Demand	Reactive	ADRA1A	40	38
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033227	GD	On-Demand	Reactive	DRD3	62	57
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033227	GD	On-Demand	Reactive	HTR7	46	37
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033228	GD	On-Demand	Reactive	HTR1A	67	57
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033228	GD	On-Demand	Reactive	DRD2	52	57
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033228	GD	On-Demand	Reactive	DRD4	33	57
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033228	GD	On-Demand	Reactive	ADRA1D	41	36
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033228	GD	On-Demand	Reactive	ADRA1A	40	38
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033228	GD	On-Demand	Reactive	DRD3	62	57
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852033228	GD	On-Demand	Reactive	HTR7	46	37
O=C(NCc1ccc(OC2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852033321	DH	On-Demand	Anodyne	EPHX2	25	41
O=C(NCc1ccc(OC2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852033322	DH	On-Demand	Anodyne	EPHX2	25	41
O=C(NCCc1cc(F)cc(F)c1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852033336	GF	On-Demand	Clean	CCR3	32	45
C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852033386	ED	On-Demand	Anodyne	AMY2	45	31
C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852033387	ED	On-Demand	Anodyne	AMY2	45	31
C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852033389	ED	On-Demand	Anodyne	AMY2	45	31
C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852033391	ED	On-Demand	Anodyne	AMY2	45	31
C[C@@H]1CCN(C(=O)N[C@H]2CCCOc3ccccc32)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852033393	GF	On-Demand	Anodyne	RBP4	51	36
C[C@@H]1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852033395	GF	On-Demand	Anodyne	RBP4	51	36
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033408	FF	On-Demand	Anodyne	HTR1A	55	46
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033408	FF	On-Demand	Anodyne	DRD2	42	46
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033408	FF	On-Demand	Anodyne	DRD4	21	42
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033408	FF	On-Demand	Anodyne	ADRA1D	47	41
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033408	FF	On-Demand	Anodyne	ADRA1A	39	41
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033408	FF	On-Demand	Anodyne	ADRA1B	37	41
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033408	FF	On-Demand	Anodyne	DRD3	46	42
COc1ccccc1N1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033408	FF	On-Demand	Anodyne	HTR7	33	42
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033410	FF	On-Demand	Anodyne	HTR1A	55	46
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033410	FF	On-Demand	Anodyne	DRD2	42	46
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033410	FF	On-Demand	Anodyne	DRD4	21	42
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033410	FF	On-Demand	Anodyne	ADRA1D	47	41
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033410	FF	On-Demand	Anodyne	ADRA1A	39	41
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033410	FF	On-Demand	Anodyne	ADRA1B	37	41
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033410	FF	On-Demand	Anodyne	DRD3	46	42
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852033410	FF	On-Demand	Anodyne	HTR7	33	42
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033412	FF	On-Demand	Anodyne	HTR1A	55	46
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033412	FF	On-Demand	Anodyne	DRD2	42	46
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033412	FF	On-Demand	Anodyne	DRD4	21	42
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033412	FF	On-Demand	Anodyne	ADRA1D	47	41
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033412	FF	On-Demand	Anodyne	ADRA1A	39	41
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033412	FF	On-Demand	Anodyne	ADRA1B	37	41
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033412	FF	On-Demand	Anodyne	DRD3	46	42
COc1ccccc1N1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033412	FF	On-Demand	Anodyne	HTR7	33	42
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033413	FF	On-Demand	Anodyne	HTR1A	55	46
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033413	FF	On-Demand	Anodyne	DRD2	42	46
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033413	FF	On-Demand	Anodyne	DRD4	21	42
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033413	FF	On-Demand	Anodyne	ADRA1D	47	41
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033413	FF	On-Demand	Anodyne	ADRA1A	39	41
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033413	FF	On-Demand	Anodyne	ADRA1B	37	41
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033413	FF	On-Demand	Anodyne	DRD3	46	42
COc1ccccc1N1CC[C@@H](CNC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852033413	FF	On-Demand	Anodyne	HTR7	33	42
COCCN(CCF)C(=O)NCC1(c2ccccc2OC)CC1	ZINC000852033419	DE	On-Demand	Anodyne	KCNA3	47	39
C=CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852033420	FF	On-Demand	Mild	F2	23	40
C=CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852033420	FF	On-Demand	Mild	PLG	16	40
C=CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852033420	FF	On-Demand	Mild	PRSS1	18	40
C=CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852033420	FF	On-Demand	Mild	TMPRSS11D	65	35
C=CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852033422	FF	On-Demand	Mild	F2	23	40
C=CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852033422	FF	On-Demand	Mild	PLG	16	40
C=CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852033422	FF	On-Demand	Mild	PRSS1	18	40
C=CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852033422	FF	On-Demand	Mild	TMPRSS11D	65	35
O=C(N[C@H]1CCCOc2ccccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852033425	FF	On-Demand	Anodyne	BIRC3	42	35
O=C(N[C@@H]1CCCOc2ccccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852033427	FF	On-Demand	Anodyne	BIRC3	42	35
CN(Cc1cnc[nH]1)C(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852033472	ED	On-Demand	Anodyne	TAAR1	24	44
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1	ZINC000852033489	GC	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@H]3COC[C@@H]3C2)CC1	ZINC000852033490	GC	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@@H]3COC[C@H]3C2)CC1	ZINC000852033491	GC	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@H]3COC[C@H]3C2)CC1	ZINC000852033492	GC	On-Demand	Anodyne	GPR119	41	42
NC(=O)[C@@](O)(CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)c1ccccc1	ZINC000852033530	FB	On-Demand	Anodyne	ITGAL	41	33
NC(=O)[C@](O)(CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)c1ccccc1	ZINC000852033531	FB	On-Demand	Anodyne	ITGAL	41	33
COc1ccccc1N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033532	FF	On-Demand	Anodyne	HTR1A	75	45
COc1ccccc1N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033532	FF	On-Demand	Anodyne	DRD2	64	45
COc1ccccc1N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033532	FF	On-Demand	Anodyne	DRD4	34	42
COc1ccccc1N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033532	FF	On-Demand	Anodyne	ADRA1D	59	43
COc1ccccc1N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033532	FF	On-Demand	Anodyne	ADRA1A	53	43
COc1ccccc1N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033532	FF	On-Demand	Anodyne	ADRA1B	47	43
COc1ccccc1N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033532	FF	On-Demand	Anodyne	DRD3	64	41
COc1ccccc1N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033532	FF	On-Demand	Anodyne	HTR7	50	41
COc1ccccc1N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033533	FF	On-Demand	Anodyne	HTR1A	75	45
COc1ccccc1N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033533	FF	On-Demand	Anodyne	DRD2	64	45
COc1ccccc1N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033533	FF	On-Demand	Anodyne	DRD4	34	42
COc1ccccc1N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033533	FF	On-Demand	Anodyne	ADRA1D	59	43
COc1ccccc1N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033533	FF	On-Demand	Anodyne	ADRA1A	53	43
COc1ccccc1N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033533	FF	On-Demand	Anodyne	ADRA1B	47	43
COc1ccccc1N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033533	FF	On-Demand	Anodyne	DRD3	64	41
COc1ccccc1N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852033533	FF	On-Demand	Anodyne	HTR7	50	41
O=C(NCc1ccc(OC2CCCC2)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852033597	GG	On-Demand	Anodyne	EPHX2	18	45
CC(C)c1noc(CCCNC(=O)NC[C@@H](O)c2cccc3ccccc23)n1	ZINC000852033604	GG	On-Demand	Anodyne	MTNR1A	25	43
CC(C)c1noc(CCCNC(=O)NC[C@@H](O)c2cccc3ccccc23)n1	ZINC000852033604	GG	On-Demand	Anodyne	MTNR1B	24	43
CC(C)c1noc(CCCNC(=O)NC[C@H](O)c2cccc3ccccc23)n1	ZINC000852033605	GG	On-Demand	Anodyne	MTNR1A	25	43
CC(C)c1noc(CCCNC(=O)NC[C@H](O)c2cccc3ccccc23)n1	ZINC000852033605	GG	On-Demand	Anodyne	MTNR1B	24	43
CC[C@@H](C)CCNC(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852033614	EE	On-Demand	Anodyne	MME	22	41
C[C@@H](CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852033634	EE	On-Demand	Anodyne	CCR5	27	43
C[C@@H](CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852033634	EE	On-Demand	Anodyne	BIRC8	48	35
C[C@@H](CCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852033635	EE	On-Demand	Anodyne	CCR5	27	43
C[C@@H](CCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852033635	EE	On-Demand	Anodyne	BIRC8	48	35
N#Cc1ccc(CCNC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1	ZINC000852033643	FE	On-Demand	Mild	CA2	15	43
N#Cc1ccc(CCNC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1	ZINC000852033643	FE	On-Demand	Mild	CA1	15	43
N#Cc1ccc(CCNC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1	ZINC000852033643	FE	On-Demand	Mild	CA5B	16	42
N#Cc1ccc(CCNC(=O)NCCS(=O)(=O)Cc2ccccc2)cc1	ZINC000852033643	FE	On-Demand	Mild	CA5A	15	42
O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852033658	GE	On-Demand	Anodyne	SIGMAR1	25	40
O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852033658	GE	On-Demand	Anodyne	CCR3	79	41
O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852033658	GE	On-Demand	Anodyne	TMPRSS11D	54	34
O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852033659	GE	On-Demand	Anodyne	SIGMAR1	25	40
O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852033659	GE	On-Demand	Anodyne	CCR3	79	41
O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852033659	GE	On-Demand	Anodyne	TMPRSS11D	54	34
O=C(NCCS(=O)(=O)Cc1ccccc1)NC1CCC(C2CCC2)CC1	ZINC000852033660	GG	On-Demand	Anodyne	EPHX2	18	53
C#C[C@H](NC(=O)NCCCc1ccc(Cl)cc1)C1CCOCC1	ZINC000852033705	EG	On-Demand	Mild	MMP2	64	37
C#C[C@H](NC(=O)NCCCc1ccc(Cl)cc1)C1CCOCC1	ZINC000852033705	EG	On-Demand	Mild	MMP3	19	41
C#C[C@@H](NC(=O)NCCCc1ccc(Cl)cc1)C1CCOCC1	ZINC000852033706	EG	On-Demand	Mild	MMP2	64	37
C#C[C@@H](NC(=O)NCCCc1ccc(Cl)cc1)C1CCOCC1	ZINC000852033706	EG	On-Demand	Mild	MMP3	19	41
C#C[C@H](NC(=O)NCC1(c2ccccc2OC)CC1)C1CCOCC1	ZINC000852033724	EE	On-Demand	Mild	KCNA3	44	38
C#C[C@@H](NC(=O)NCC1(c2ccccc2OC)CC1)C1CCOCC1	ZINC000852033725	EE	On-Demand	Mild	KCNA3	44	38
COc1ccccc1N1CC[C@@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033728	GG	On-Demand	Anodyne	HTR1A	65	45
COc1ccccc1N1CC[C@@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033728	GG	On-Demand	Anodyne	DRD2	54	45
COc1ccccc1N1CC[C@@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033728	GG	On-Demand	Anodyne	DRD4	29	40
COc1ccccc1N1CC[C@@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033728	GG	On-Demand	Anodyne	ADRA1D	48	39
COc1ccccc1N1CC[C@@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033728	GG	On-Demand	Anodyne	ADRA1A	44	39
COc1ccccc1N1CC[C@@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033728	GG	On-Demand	Anodyne	DRD3	57	41
COc1ccccc1N1CC[C@@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033728	GG	On-Demand	Anodyne	HTR7	41	39
COc1ccccc1N1CC[C@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033729	GG	On-Demand	Anodyne	HTR1A	65	45
COc1ccccc1N1CC[C@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033729	GG	On-Demand	Anodyne	DRD2	54	45
COc1ccccc1N1CC[C@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033729	GG	On-Demand	Anodyne	DRD4	29	40
COc1ccccc1N1CC[C@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033729	GG	On-Demand	Anodyne	ADRA1D	48	39
COc1ccccc1N1CC[C@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033729	GG	On-Demand	Anodyne	ADRA1A	44	39
COc1ccccc1N1CC[C@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033729	GG	On-Demand	Anodyne	DRD3	57	41
COc1ccccc1N1CC[C@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852033729	GG	On-Demand	Anodyne	HTR7	41	39
O=C(NCc1ccc(OC2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852033733	EH	On-Demand	Anodyne	EPHX2	26	42
O=C(NCc1ccc(OC2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852033734	EH	On-Demand	Anodyne	EPHX2	26	42
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	HTR1A	84	44
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	DRD2	60	44
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	DRD4	39	41
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	ADRA1D	60	41
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	HTR2A	20	40
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	ADRA1A	55	41
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	ADRA1B	46	40
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	DRD3	66	42
COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033735	ED	On-Demand	Anodyne	HTR7	58	42
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	HTR1A	84	44
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	DRD2	60	44
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	DRD4	39	41
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	ADRA1D	60	41
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	HTR2A	20	40
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	ADRA1A	55	41
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	ADRA1B	46	40
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	DRD3	66	42
COc1ccccc1N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852033736	ED	On-Demand	Anodyne	HTR7	58	42
COCCN(CCF)C(=O)NCc1cc(Br)c(OC)c(OC)c1	ZINC000852033759	GF	On-Demand	Anodyne	LPAR2	29	40
COCCN(CCF)C(=O)NCc1cc(Br)c(OC)c(OC)c1	ZINC000852033759	GF	On-Demand	Anodyne	S1PR2	29	40
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852033769	FE	On-Demand	Anodyne	CTSB	22	49
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852033769	FE	On-Demand	Anodyne	CAPN2	35	49
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852033769	FE	On-Demand	Anodyne	Q6PRC7_IXORI	40	31
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852033772	FE	On-Demand	Anodyne	CTSB	22	49
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852033772	FE	On-Demand	Anodyne	CAPN2	35	49
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852033772	FE	On-Demand	Anodyne	Q6PRC7_IXORI	40	31
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852033774	FE	On-Demand	Anodyne	CTSB	22	49
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852033774	FE	On-Demand	Anodyne	CAPN2	35	49
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852033774	FE	On-Demand	Anodyne	Q6PRC7_IXORI	40	31
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852033776	FE	On-Demand	Anodyne	CTSB	22	49
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852033776	FE	On-Demand	Anodyne	CAPN2	35	49
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852033776	FE	On-Demand	Anodyne	Q6PRC7_IXORI	40	31
COCCN(CCF)C(=O)NCCc1cccc(C)c1	ZINC000852033813	CE	On-Demand	Anodyne	CRTM	40	33
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033819	GD	On-Demand	Anodyne	HTR1A	58	44
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033819	GD	On-Demand	Anodyne	DRD2	40	44
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033819	GD	On-Demand	Anodyne	DRD4	21	40
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033819	GD	On-Demand	Anodyne	ADRA1D	48	37
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033819	GD	On-Demand	Anodyne	ADRA1A	43	37
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033819	GD	On-Demand	Anodyne	DRD3	44	41
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033819	GD	On-Demand	Anodyne	HTR7	35	40
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033821	GD	On-Demand	Anodyne	HTR1A	58	44
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033821	GD	On-Demand	Anodyne	DRD2	40	44
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033821	GD	On-Demand	Anodyne	DRD4	21	40
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033821	GD	On-Demand	Anodyne	ADRA1D	48	37
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033821	GD	On-Demand	Anodyne	ADRA1A	43	37
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033821	GD	On-Demand	Anodyne	DRD3	44	41
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852033821	GD	On-Demand	Anodyne	HTR7	35	40
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033822	GD	On-Demand	Anodyne	HTR1A	58	44
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033822	GD	On-Demand	Anodyne	DRD2	40	44
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033822	GD	On-Demand	Anodyne	DRD4	21	40
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033822	GD	On-Demand	Anodyne	ADRA1D	48	37
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033822	GD	On-Demand	Anodyne	ADRA1A	43	37
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033822	GD	On-Demand	Anodyne	DRD3	44	41
COc1ccccc1N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033822	GD	On-Demand	Anodyne	HTR7	35	40
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033825	GD	On-Demand	Anodyne	HTR1A	58	44
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033825	GD	On-Demand	Anodyne	DRD2	40	44
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033825	GD	On-Demand	Anodyne	DRD4	21	40
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033825	GD	On-Demand	Anodyne	ADRA1D	48	37
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033825	GD	On-Demand	Anodyne	ADRA1A	43	37
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033825	GD	On-Demand	Anodyne	DRD3	44	41
COc1ccccc1N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852033825	GD	On-Demand	Anodyne	HTR7	35	40
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852033845	GF	On-Demand	Anodyne	EPHX2	25	43
COCC[C@@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852033854	EF	On-Demand	Anodyne	ADRB2	34	41
COCC[C@@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852033856	EF	On-Demand	Anodyne	ADRB2	34	41
COCC[C@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852033857	EF	On-Demand	Anodyne	ADRB2	34	41
COCC[C@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852033859	EF	On-Demand	Anodyne	ADRB2	34	41
C[C@@H](CCNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852033905	EF	On-Demand	Anodyne	CCR5	25	45
C[C@@H](CCNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852033905	EF	On-Demand	Anodyne	BIRC8	48	35
COCC[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852033924	DD	On-Demand	Clean	MCHR1	16	41
COCC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852033926	DD	On-Demand	Clean	MCHR1	16	41
COCC[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852033928	DD	On-Demand	Clean	MCHR1	16	41
COCC[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852033930	DD	On-Demand	Clean	MCHR1	16	41
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852033943	GF	On-Demand	Anodyne	CCR3	29	43
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852033945	GF	On-Demand	Anodyne	CCR3	29	43
O=C(NCCCC1CCC1)NCCS(=O)(=O)Cc1ccccc1	ZINC000852033969	EE	On-Demand	Anodyne	CCR3	24	44
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCCOc2ccccc21	ZINC000852033998	FD	On-Demand	Reactive	XIAP	16	42
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCCOc2ccccc21	ZINC000852033998	FD	On-Demand	Reactive	BIRC3	51	42
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCCOc2ccccc21	ZINC000852033998	FD	On-Demand	Reactive	BIRC2	17	42
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCCOc2ccccc21	ZINC000852034004	FD	On-Demand	Reactive	XIAP	16	42
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCCOc2ccccc21	ZINC000852034004	FD	On-Demand	Reactive	BIRC3	51	42
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCCOc2ccccc21	ZINC000852034004	FD	On-Demand	Reactive	BIRC2	17	42
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2CCc1ccc(C#N)cc1	ZINC000852034042	FH	On-Demand	Mild	GPR119	33	45
COC(=O)N(C)CCNC(=O)NCC1(c2ccccc2OC)CC1	ZINC000852034066	ED	On-Demand	Anodyne	KCNA3	47	39
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852034103	GF	On-Demand	Anodyne	CAPN2	26	40
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852034104	GF	On-Demand	Anodyne	CAPN2	26	40
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852034105	GF	On-Demand	Anodyne	CAPN2	26	40
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852034106	GF	On-Demand	Anodyne	CAPN2	26	40
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034107	GG	On-Demand	Anodyne	ANPEP	16	41
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034107	GG	On-Demand	Anodyne	FPR1	47	40
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034107	GG	On-Demand	Anodyne	PDS	53	32
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034110	GG	On-Demand	Anodyne	ANPEP	16	41
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034110	GG	On-Demand	Anodyne	FPR1	47	40
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034110	GG	On-Demand	Anodyne	PDS	53	32
O=C(NCc1ccc(Oc2ccccc2)nc1)N1CCC(N2CCOC2=O)CC1	ZINC000852034119	GG	On-Demand	Anodyne	LTA4H	26	45
O=C(NCc1ccc(OC2CCCC2)cc1)NCc1ncccn1	ZINC000852034129	EF	On-Demand	Anodyne	EPHX2	24	42
O=C(NCCS(=O)(=O)N1CCOCC1)NCc1cnccc1C(F)(F)F	ZINC000852034132	GC	On-Demand	Anodyne	NAMPT	37	41
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034133	FC	On-Demand	Reactive	HTR1A	73	41
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034133	FC	On-Demand	Reactive	DRD2	61	43
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034133	FC	On-Demand	Reactive	DRD4	38	41
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034133	FC	On-Demand	Reactive	ADRA1D	43	40
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034133	FC	On-Demand	Reactive	ADRA1A	41	40
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034133	FC	On-Demand	Reactive	ADRA1B	33	40
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034133	FC	On-Demand	Reactive	DRD3	72	43
COc1ccccc1N1CC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034133	FC	On-Demand	Reactive	HTR7	47	38
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034134	FC	On-Demand	Reactive	HTR1A	73	41
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034134	FC	On-Demand	Reactive	DRD2	61	43
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034134	FC	On-Demand	Reactive	DRD4	38	41
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034134	FC	On-Demand	Reactive	ADRA1D	43	40
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034134	FC	On-Demand	Reactive	ADRA1A	41	40
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034134	FC	On-Demand	Reactive	ADRA1B	33	40
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034134	FC	On-Demand	Reactive	DRD3	72	43
COc1ccccc1N1CC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852034134	FC	On-Demand	Reactive	HTR7	47	38
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCOc4ccccc43)C2)cc1	ZINC000852034151	GG	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCOc4ccccc43)C2)cc1	ZINC000852034152	GG	On-Demand	Clean	MTNR1A	15	45
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852034208	FD	On-Demand	Anodyne	HTR1A	68	45
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852034208	FD	On-Demand	Anodyne	DRD2	50	45
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852034208	FD	On-Demand	Anodyne	DRD4	29	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852034208	FD	On-Demand	Anodyne	ADRA1D	48	42
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852034208	FD	On-Demand	Anodyne	ADRA1A	45	42
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852034208	FD	On-Demand	Anodyne	DRD3	57	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852034208	FD	On-Demand	Anodyne	HTR7	44	41
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852034210	FD	On-Demand	Anodyne	HTR1A	68	45
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852034210	FD	On-Demand	Anodyne	DRD2	50	45
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852034210	FD	On-Demand	Anodyne	DRD4	29	41
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852034210	FD	On-Demand	Anodyne	ADRA1D	48	42
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852034210	FD	On-Demand	Anodyne	ADRA1A	45	42
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852034210	FD	On-Demand	Anodyne	DRD3	57	41
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2OC)C1	ZINC000852034210	FD	On-Demand	Anodyne	HTR7	44	41
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	HTR1A	62	46
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	DRD2	54	46
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	DRD4	38	46
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	ADRA1D	50	41
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	ADRA1A	45	41
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	DRD3	56	46
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	F10	54	35
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	HTR7	42	46
COc1ccccc1N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034241	GF	On-Demand	Reactive	CACNA1I	41	32
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	HTR1A	62	46
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	DRD2	54	46
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	DRD4	38	46
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	ADRA1D	50	41
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	ADRA1A	45	41
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	DRD3	56	46
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	F10	54	35
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	HTR7	42	46
COc1ccccc1N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852034243	GF	On-Demand	Reactive	CACNA1I	41	32
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852034261	FF	On-Demand	Anodyne	TMPRSS11D	67	35
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@H](C2CCC2)C1	ZINC000852034263	FF	On-Demand	Anodyne	TMPRSS11D	67	35
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCCCC2CCC2)CC1	ZINC000852034270	GD	On-Demand	Anodyne	GPR119	31	43
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2CC(=O)Nc1cnccn1	ZINC000852034354	FD	On-Demand	Anodyne	GPR119	33	47
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cccc(N)c1	ZINC000852034366	DG	On-Demand	Anodyne	GPR119	43	45
O=C(N[C@@H]1C=CCC1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852034373	DH	On-Demand	Anodyne	RBP4	79	38
O=C(N[C@@H]1C=CCC1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852034375	DH	On-Demand	Anodyne	RBP4	79	38
O=C(N[C@@H]1C=CCC1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852034376	DH	On-Demand	Anodyne	RBP4	79	38
O=C(N[C@@H]1C=CCC1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852034378	DH	On-Demand	Anodyne	RBP4	79	38
CCOc1ccccc1[C@H](CC)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852034388	FG	On-Demand	Anodyne	HCN1	47	31
CCOc1ccccc1[C@@H](CC)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852034390	FG	On-Demand	Anodyne	HCN1	47	31
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1	ZINC000852034474	FD	On-Demand	Reactive	KCNK3	56	40
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1	ZINC000852034474	FD	On-Demand	Reactive	KCNK9	45	38
CNS(=O)(=O)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852034501	GE	On-Demand	Anodyne	MMP13	15	43
CNS(=O)(=O)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852034501	GE	On-Demand	Anodyne	GPR119	54	47
CNS(=O)(=O)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852034501	GE	On-Demand	Anodyne	SFRP1	66	40
CNS(=O)(=O)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852034501	GE	On-Demand	Anodyne	WNT3	44	35
CNS(=O)(=O)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852034502	GE	On-Demand	Anodyne	MMP13	15	43
CNS(=O)(=O)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852034502	GE	On-Demand	Anodyne	GPR119	54	47
CNS(=O)(=O)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852034502	GE	On-Demand	Anodyne	SFRP1	66	40
CNS(=O)(=O)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852034502	GE	On-Demand	Anodyne	WNT3	44	35
CNS(=O)(=O)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852034503	GE	On-Demand	Anodyne	MMP13	15	43
CNS(=O)(=O)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852034503	GE	On-Demand	Anodyne	GPR119	54	47
CNS(=O)(=O)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852034503	GE	On-Demand	Anodyne	SFRP1	66	40
CNS(=O)(=O)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852034503	GE	On-Demand	Anodyne	WNT3	44	35
CNS(=O)(=O)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852034504	GE	On-Demand	Anodyne	MMP13	15	43
CNS(=O)(=O)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852034504	GE	On-Demand	Anodyne	GPR119	54	47
CNS(=O)(=O)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852034504	GE	On-Demand	Anodyne	SFRP1	66	40
CNS(=O)(=O)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852034504	GE	On-Demand	Anodyne	WNT3	44	35
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852034600	EF	On-Demand	Anodyne	MME	62	39
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852034600	EF	On-Demand	Anodyne	CAPN1	46	42
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852034600	EF	On-Demand	Anodyne	CAPN2	62	33
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852034600	EF	On-Demand	Anodyne	ACE2	41	34
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852034600	EF	On-Demand	Anodyne	FPR1	48	41
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852034600	EF	On-Demand	Anodyne	TMPRSS11D	40	34
O=C(NCCS(=O)(=O)Cc1ccccc1)NCc1ncccn1	ZINC000852034620	EC	On-Demand	Anodyne	NAMPT	30	41
N#CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852034631	ED	On-Demand	Mild	TMPRSS11D	50	33
N#CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852034632	ED	On-Demand	Mild	TMPRSS11D	50	33
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H]1CCC[C@H]1O	ZINC000852034643	CE	On-Demand	Anodyne	GPR119	38	41
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cccc(F)n1	ZINC000852034665	DF	On-Demand	Anodyne	GPR119	48	44
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(Oc2ccccc2)cc1	ZINC000852034676	GI	On-Demand	Anodyne	ACACA	26	45
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(Oc2ccccc2)cc1	ZINC000852034676	GI	On-Demand	Anodyne	ACACB	27	45
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852034679	GG	On-Demand	Anodyne	MC4R	63	37
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852034679	GG	On-Demand	Anodyne	P2RX7	30	40
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852034681	GG	On-Demand	Anodyne	MC4R	63	37
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852034681	GG	On-Demand	Anodyne	P2RX7	30	40
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1coc(S(N)(=O)=O)c1	ZINC000852034682	FD	On-Demand	Anodyne	GPR119	44	37
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ncsc1Br	ZINC000852034688	GH	On-Demand	Anodyne	GPR119	42	38
COCCN(CCF)C(=O)NCc1ccc(Oc2ccccc2)cc1	ZINC000852034690	EH	On-Demand	Anodyne	LTA4H	41	41
COCCN(CCF)C(=O)NCc1ccc(Oc2ccccc2)cc1	ZINC000852034690	EH	On-Demand	Anodyne	CRTM	42	35
COCCN(CCF)C(=O)NCc1ccc(Oc2ccccc2)cc1	ZINC000852034690	EH	On-Demand	Anodyne	PDS	48	34
CCOc1ccccc1[C@@H](CC)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852034697	EH	On-Demand	Anodyne	HCN1	44	32
CCOc1ccccc1[C@@H](CC)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852034697	EH	On-Demand	Anodyne	HCN4	41	32
CCOc1ccccc1[C@@H](CC)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852034699	EH	On-Demand	Anodyne	HCN1	44	32
CCOc1ccccc1[C@@H](CC)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852034699	EH	On-Demand	Anodyne	HCN4	41	32
CCOc1ccccc1[C@H](CC)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852034701	EH	On-Demand	Anodyne	HCN1	44	32
CCOc1ccccc1[C@H](CC)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852034701	EH	On-Demand	Anodyne	HCN4	41	32
CCOc1ccccc1[C@H](CC)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852034702	EH	On-Demand	Anodyne	HCN1	44	32
CCOc1ccccc1[C@H](CC)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852034702	EH	On-Demand	Anodyne	HCN4	41	32
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C[C@H](O)c1ccccn1	ZINC000852034715	EF	On-Demand	Anodyne	GPR119	38	46
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C[C@@H](O)c1ccccn1	ZINC000852034717	EF	On-Demand	Anodyne	GPR119	38	46
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCCCc2ccccc21	ZINC000852034718	FD	On-Demand	Reactive	XIAP	23	44
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCCCc2ccccc21	ZINC000852034718	FD	On-Demand	Reactive	BIRC3	53	44
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCCCc2ccccc21	ZINC000852034718	FD	On-Demand	Reactive	BIRC2	40	40
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCCCc2ccccc21	ZINC000852034720	FD	On-Demand	Reactive	XIAP	23	44
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCCCc2ccccc21	ZINC000852034720	FD	On-Demand	Reactive	BIRC3	53	44
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCCCc2ccccc21	ZINC000852034720	FD	On-Demand	Reactive	BIRC2	40	40
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCn1cnc(Br)n1	ZINC000852034727	GE	On-Demand	Anodyne	GPR119	42	38
O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)N1CCC(N2CCOC2=O)CC1	ZINC000852034778	GD	On-Demand	Anodyne	CALCRL	46	38
O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)N1CCC(N2CCOC2=O)CC1	ZINC000852034779	GD	On-Demand	Anodyne	CALCRL	46	38
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2CCC1CCC1	ZINC000852034793	DH	On-Demand	Anodyne	GPR119	36	40
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852034800	EC	On-Demand	Anodyne	EPHX2	17	40
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852034801	EC	On-Demand	Anodyne	EPHX2	17	40
O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852034804	GG	On-Demand	Anodyne	EPHX2	21	49
O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852034804	GG	On-Demand	Anodyne	RBP4	88	42
O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852034805	GG	On-Demand	Anodyne	EPHX2	21	49
O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852034805	GG	On-Demand	Anodyne	RBP4	88	42
O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852034806	GG	On-Demand	Anodyne	EPHX2	21	49
O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852034806	GG	On-Demand	Anodyne	RBP4	88	42
COC(=O)N(C)CCNC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852034807	FF	On-Demand	Anodyne	RBP4	61	35
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852034808	FF	On-Demand	Anodyne	RBP4	61	35
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852034809	FF	On-Demand	Anodyne	RBP4	61	35
COC(=O)N(C)CCNC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852034810	FF	On-Demand	Anodyne	RBP4	61	35
CCN1CC[C@H](N[C@H](C(C)C)[C@H](O)c2ccccc2)C1=O	ZINC000852034811	CD	On-Demand	Anodyne	XIAP	41	34
CCN1CC[C@H](N[C@H](C(C)C)[C@H](O)c2ccccc2)C1=O	ZINC000852034811	CD	On-Demand	Anodyne	BIRC8	56	34
CCN1CC[C@H](N[C@@H](C(C)C)[C@H](O)c2ccccc2)C1=O	ZINC000852034812	CD	On-Demand	Anodyne	XIAP	41	34
CCN1CC[C@H](N[C@@H](C(C)C)[C@H](O)c2ccccc2)C1=O	ZINC000852034812	CD	On-Demand	Anodyne	BIRC8	56	34
CCN1CC[C@H](N[C@@H](C(C)C)[C@@H](O)c2ccccc2)C1=O	ZINC000852034813	CD	On-Demand	Anodyne	XIAP	41	34
CCN1CC[C@H](N[C@@H](C(C)C)[C@@H](O)c2ccccc2)C1=O	ZINC000852034813	CD	On-Demand	Anodyne	BIRC8	56	34
CCN1CC[C@H](N[C@H](C(C)C)[C@@H](O)c2ccccc2)C1=O	ZINC000852034814	CD	On-Demand	Anodyne	XIAP	41	34
CCN1CC[C@H](N[C@H](C(C)C)[C@@H](O)c2ccccc2)C1=O	ZINC000852034814	CD	On-Demand	Anodyne	BIRC8	56	34
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852034882	GF	On-Demand	Anodyne	TMPRSS11D	53	33
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852034883	GF	On-Demand	Anodyne	TMPRSS11D	53	33
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852034884	GF	On-Demand	Anodyne	TMPRSS11D	53	33
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852034885	GF	On-Demand	Anodyne	TMPRSS11D	53	33
CCO[C@@H]1C[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852034908	ED	On-Demand	Anodyne	TIMP3	61	35
CCO[C@@H]1C[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852034908	ED	On-Demand	Anodyne	EPHX2	17	42
COCC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034927	FG	On-Demand	Anodyne	ANPEP	15	43
COCC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034927	FG	On-Demand	Anodyne	FPR1	46	33
COCC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034927	FG	On-Demand	Anodyne	KCNK3	46	33
COCC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034927	FG	On-Demand	Anodyne	KCNK9	48	33
COCC[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034930	FG	On-Demand	Anodyne	ANPEP	15	43
COCC[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034930	FG	On-Demand	Anodyne	FPR1	46	33
COCC[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034930	FG	On-Demand	Anodyne	KCNK3	46	33
COCC[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852034930	FG	On-Demand	Anodyne	KCNK9	48	33
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(N)=O	ZINC000852034933	CB	On-Demand	Anodyne	CHRM2	16	40
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(N)=O	ZINC000852034933	CB	On-Demand	Anodyne	CHRM3	26	40
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(N)=O	ZINC000852034941	CB	On-Demand	Anodyne	CHRM2	16	40
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(N)=O	ZINC000852034941	CB	On-Demand	Anodyne	CHRM3	26	40
O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852034943	GF	On-Demand	Anodyne	EPHX2	18	46
O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852034943	GF	On-Demand	Anodyne	RBP4	89	40
O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852034948	GF	On-Demand	Anodyne	EPHX2	18	46
O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852034948	GF	On-Demand	Anodyne	RBP4	89	40
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1ncccn1	ZINC000852034971	EG	On-Demand	Anodyne	MC4R	44	45
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1ncccn1	ZINC000852034971	EG	On-Demand	Anodyne	P2RX7	40	42
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC(C2CCC2)CC1	ZINC000852034979	FF	On-Demand	Anodyne	TMPRSS11D	45	31
COCC[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852034981	DF	On-Demand	Anodyne	SOAT1	26	44
COCC[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852034984	DF	On-Demand	Anodyne	SOAT1	26	44
COCC[C@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852034987	DF	On-Demand	Anodyne	SOAT1	26	44
COCC[C@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852034990	DF	On-Demand	Anodyne	SOAT1	26	44
O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852034993	GH	On-Demand	Anodyne	RBP4	46	33
O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852034997	GH	On-Demand	Anodyne	RBP4	46	33
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@H]3C[C@H]3C2)CC1	ZINC000852035021	FD	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@@H]3C[C@H]3C2)CC1	ZINC000852035024	FD	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@H]3C[C@@H]3C2)CC1	ZINC000852035027	FD	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000852035030	FD	On-Demand	Anodyne	GPR119	42	44
O=C(NCc1ncccn1)NCC1(c2ccc(Cl)cc2)CCCCC1	ZINC000852035040	FH	On-Demand	Anodyne	NMBR	69	41
O=C(NCc1ncccn1)NCC1(c2ccc(Cl)cc2)CCCCC1	ZINC000852035040	FH	On-Demand	Anodyne	GRPR	36	41
O=C(N[C@@H]1CCCCc2ccccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852035048	FG	On-Demand	Anodyne	XIAP	25	41
O=C(N[C@@H]1CCCCc2ccccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852035048	FG	On-Demand	Anodyne	BIRC3	40	41
O=C(N[C@@H]1CCCCc2ccccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852035048	FG	On-Demand	Anodyne	BIRC2	37	41
O=C(N[C@H]1CCCCc2ccccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852035051	FG	On-Demand	Anodyne	XIAP	25	41
O=C(N[C@H]1CCCCc2ccccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852035051	FG	On-Demand	Anodyne	BIRC3	40	41
O=C(N[C@H]1CCCCc2ccccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852035051	FG	On-Demand	Anodyne	BIRC2	37	41
C#C[C@H](NC(=O)NC1CCN(C(=O)CC(C)C)CC1)C1CCOCC1	ZINC000852035067	ED	On-Demand	Mild	EPHX2	19	44
C#C[C@@H](NC(=O)NC1CCN(C(=O)CC(C)C)CC1)C1CCOCC1	ZINC000852035075	ED	On-Demand	Mild	EPHX2	19	44
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852035119	FE	On-Demand	Anodyne	Q6PRC7_IXORI	73	34
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852035121	FE	On-Demand	Anodyne	Q6PRC7_IXORI	73	34
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1nsc2ccccc12	ZINC000852035141	FI	On-Demand	Anodyne	GPR119	35	40
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1=NS(=O)(=O)c2ccccc21	ZINC000852035150	GE	On-Demand	Anodyne	GPR119	34	40
COc1ccc2c(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc(=O)oc2c1	ZINC000852035164	FF	On-Demand	Anodyne	MAOB	41	44
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852035205	GD	On-Demand	Reactive	HCN1	49	36
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852035205	GD	On-Demand	Reactive	HCN4	45	36
CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852035207	GD	On-Demand	Reactive	HCN1	49	36
CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852035207	GD	On-Demand	Reactive	HCN4	45	36
C#C[C@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CCOCC1	ZINC000852035223	FG	On-Demand	Mild	RBP4	54	34
C#C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CCOCC1	ZINC000852035225	FG	On-Demand	Mild	RBP4	54	34
C#C[C@H](NC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CCOCC1	ZINC000852035228	FG	On-Demand	Mild	RBP4	54	34
C#C[C@H](NC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CCOCC1	ZINC000852035230	FG	On-Demand	Mild	RBP4	54	34
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852035247	GH	On-Demand	Anodyne	UGCG	26	41
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852035247	GH	On-Demand	Anodyne	MC4R	54	38
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852035247	GH	On-Demand	Anodyne	MAPK1	42	35
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852035249	GG	On-Demand	Anodyne	LTA4H	45	45
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852035249	GG	On-Demand	Anodyne	NPSR1	29	44
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852035249	GG	On-Demand	Anodyne	TMPRSS11D	40	31
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852035251	GG	On-Demand	Anodyne	LTA4H	45	45
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852035251	GG	On-Demand	Anodyne	NPSR1	29	44
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852035251	GG	On-Demand	Anodyne	TMPRSS11D	40	31
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2Cc1cccc(F)n1	ZINC000852035326	EG	On-Demand	Anodyne	GPR119	39	40
O=C(NCC1SCCS1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852035334	FH	On-Demand	Anodyne	RBP4	67	38
O=C(NCC1SCCS1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852035335	FH	On-Demand	Anodyne	RBP4	67	38
O=C(NCC1SCCS1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852035336	FH	On-Demand	Anodyne	RBP4	67	38
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852035345	GE	On-Demand	Anodyne	SIGMAR1	19	43
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852035345	GE	On-Demand	Anodyne	CCR3	21	40
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852035345	GE	On-Demand	Anodyne	SLC6A5	19	43
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852035345	GE	On-Demand	Anodyne	EPHX2	20	49
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852035346	GE	On-Demand	Anodyne	SIGMAR1	19	43
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852035346	GE	On-Demand	Anodyne	CCR3	21	40
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852035346	GE	On-Demand	Anodyne	SLC6A5	19	43
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852035346	GE	On-Demand	Anodyne	EPHX2	20	49
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852035357	DD	On-Demand	Anodyne	RBP4	41	37
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@H]2C[C@H]2C1	ZINC000852035358	DD	On-Demand	Anodyne	RBP4	41	37
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852035359	DD	On-Demand	Anodyne	RBP4	41	37
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852035360	DD	On-Demand	Anodyne	RBP4	41	37
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@@H](CCF)C1	ZINC000852035361	FE	On-Demand	Anodyne	CCR3	19	42
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@@H](CCF)C1	ZINC000852035361	FE	On-Demand	Anodyne	TMPRSS11D	58	34
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@H](CCF)C1	ZINC000852035362	FE	On-Demand	Anodyne	CCR3	19	42
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CCC[C@H](CCF)C1	ZINC000852035362	FE	On-Demand	Anodyne	TMPRSS11D	58	34
CC(C)(C)N1CC[C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852035363	FD	On-Demand	Anodyne	DRD4	22	41
CC(C)(C)N1CC[C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852035363	FD	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)N1CC[C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852035363	FD	On-Demand	Anodyne	MCHR1	15	41
CC(C)(C)N1CC[C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852035363	FD	On-Demand	Anodyne	SFRP1	56	33
CC(C)(C)N1CC[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852035364	FD	On-Demand	Anodyne	DRD4	22	41
CC(C)(C)N1CC[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852035364	FD	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)N1CC[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852035364	FD	On-Demand	Anodyne	MCHR1	15	41
CC(C)(C)N1CC[C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)C1	ZINC000852035364	FD	On-Demand	Anodyne	SFRP1	56	33
O=C1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)Cc3ccccc3)CC[C@@H]2N1	ZINC000852035379	GC	On-Demand	Anodyne	TRYP_PIG	45	31
O=C1CC[C@H]2CN(C(=O)NCCS(=O)(=O)Cc3ccccc3)CC[C@@H]2N1	ZINC000852035380	GC	On-Demand	Anodyne	TRYP_PIG	45	31
O=C1CC[C@@H]2CN(C(=O)NCCS(=O)(=O)Cc3ccccc3)CC[C@H]2N1	ZINC000852035381	GC	On-Demand	Anodyne	TRYP_PIG	45	31
O=C1CC[C@H]2CN(C(=O)NCCS(=O)(=O)Cc3ccccc3)CC[C@H]2N1	ZINC000852035382	GC	On-Demand	Anodyne	TRYP_PIG	45	31
C[C@@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1	ZINC000852035395	GH	On-Demand	Clean	OPRK1	17	40
C[C@@H](CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1	ZINC000852035395	GH	On-Demand	Clean	CCR5	19	40
O=C(NCCS(=O)(=O)Cc1ccccc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852035403	GD	On-Demand	Anodyne	EPHX2	15	43
O=C(NCCS(=O)(=O)Cc1ccccc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852035404	GD	On-Demand	Anodyne	EPHX2	15	43
COCCN(CCF)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl	ZINC000852035442	FH	On-Demand	Anodyne	MC4R	45	41
O=C(NCC1SCCS1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852035443	FH	On-Demand	Anodyne	RBP4	67	38
COCCN(CCF)C(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl	ZINC000852035445	FH	On-Demand	Anodyne	MC4R	45	41
CCOc1ccccc1[C@@H](CC)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852035467	FH	On-Demand	Anodyne	HCN1	51	35
CCOc1ccccc1[C@@H](CC)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852035467	FH	On-Demand	Anodyne	HCN4	45	35
CCOc1ccccc1[C@H](CC)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852035469	FH	On-Demand	Anodyne	HCN1	51	35
CCOc1ccccc1[C@H](CC)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852035469	FH	On-Demand	Anodyne	HCN4	45	35
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1cnon1	ZINC000852035479	CD	On-Demand	Anodyne	GPR119	41	39
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852035487	EH	On-Demand	Anodyne	EPHX2	28	45
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H]1C[C@@H]1c1ccccc1	ZINC000852035487	EH	On-Demand	Anodyne	GPR119	40	42
O=C1CCC2=C(CCN(C(=O)NCc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852035518	GH	On-Demand	Anodyne	NPSR1	27	41
O=C1CCC2=C(CCN(C(=O)NCc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852035518	GH	On-Demand	Anodyne	NAMPT	23	41
COC(=O)N(C)CCNC(=O)NCCCOc1ccc(C)cc1	ZINC000852035605	DD	On-Demand	Anodyne	DRD4	15	43
CCOc1ccccc1[C@@H](CC)NC(=O)NCC1SCCS1	ZINC000852035623	EH	On-Demand	Anodyne	HCN1	47	31
CCOc1ccccc1[C@@H](CC)NC(=O)NCC1SCCS1	ZINC000852035623	EH	On-Demand	Anodyne	HCN4	40	31
CCOc1ccccc1[C@H](CC)NC(=O)NCC1SCCS1	ZINC000852035624	EH	On-Demand	Anodyne	HCN1	47	31
CCOc1ccccc1[C@H](CC)NC(=O)NCC1SCCS1	ZINC000852035624	EH	On-Demand	Anodyne	HCN4	40	31
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@@H]1CCNC1=O	ZINC000852035643	EB	On-Demand	Anodyne	PLG	41	32
O=C(NCCS(=O)(=O)Cc1ccccc1)N[C@H]1CCNC1=O	ZINC000852035644	EB	On-Demand	Anodyne	PLG	41	32
C[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1C(N)=O	ZINC000852035645	BC	On-Demand	Anodyne	PDE8B	40	31
C[C@@H](CCNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000852035678	FD	On-Demand	Reactive	BIRC8	44	31
CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCc2ncccn2)CC1	ZINC000852035684	GC	On-Demand	Anodyne	GPR119	38	45
Cn1cc(CCNC(=O)NCCS(=O)(=O)Cc2ccccc2)c2ccccc21	ZINC000852035691	GF	On-Demand	Anodyne	NQO2	18	43
Cn1cc(CCNC(=O)NCCS(=O)(=O)Cc2ccccc2)c2ccccc21	ZINC000852035691	GF	On-Demand	Anodyne	MTNR1A	20	43
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)no3)C2)cc1	ZINC000852035707	EE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)no3)C2)cc1	ZINC000852035707	EE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)no3)C2)cc1	ZINC000852035707	EE	On-Demand	Clean	PDK1	40	34
COCc1csc(CNC(=O)NCCS(=O)(=O)Cc2ccccc2)c1	ZINC000852035730	GE	On-Demand	Anodyne	BMP1	29	40
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCC(=O)Nc1cnccn1	ZINC000852035744	ED	On-Demand	Anodyne	GPR119	48	49
COCCN(CCF)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852035822	EG	On-Demand	Anodyne	RBP4	66	34
COCCN(CCF)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852035828	EG	On-Demand	Anodyne	RBP4	66	34
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852035840	FD	On-Demand	Reactive	MC4R	43	36
CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852035876	GD	On-Demand	Anodyne	AMY2	43	29
CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852035877	GD	On-Demand	Anodyne	AMY2	43	29
O=C(NCc1ncccn1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852035888	EF	On-Demand	Anodyne	RBP4	73	38
O=C(NCc1ncccn1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852035890	EF	On-Demand	Anodyne	RBP4	73	38
O=C(NCc1ncccn1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852035892	EF	On-Demand	Anodyne	RBP4	73	38
O=C(NCc1ncccn1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852035894	EF	On-Demand	Anodyne	RBP4	73	38
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852035926	FD	On-Demand	Clean	BIRC2	34	42
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852035927	FD	On-Demand	Clean	BIRC2	34	42
CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852035928	FD	On-Demand	Clean	BIRC2	34	42
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852035929	FD	On-Demand	Clean	BIRC2	34	42
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852035960	GH	On-Demand	Bother	GPR119	34	44
CCOP(=O)(OCC)[C@H](O)CN(C1CCCC1)[C@H](C)c1ccccc1	ZINC000852035973	FJ	On-Demand	Anodyne	AMY2	45	32
CCOP(=O)(OCC)[C@H](O)CN(C1CCCC1)[C@@H](C)c1ccccc1	ZINC000852035976	FJ	On-Demand	Anodyne	AMY2	45	32
CCOP(=O)(OCC)[C@@H](O)CN(C1CCCC1)[C@@H](C)c1ccccc1	ZINC000852035979	FJ	On-Demand	Anodyne	AMY2	45	32
CCOP(=O)(OCC)[C@@H](O)CN(C1CCCC1)[C@H](C)c1ccccc1	ZINC000852035982	FJ	On-Demand	Anodyne	AMY2	45	32
Cc1ccccc1C1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCCC1	ZINC000852035985	GG	On-Demand	Reactive	HCN1	51	31
Cc1ccccc1C1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCCC1	ZINC000852035985	GG	On-Demand	Reactive	HCN4	49	31
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCc1ccc(C#N)cc1	ZINC000852035997	EG	On-Demand	Mild	GPR119	42	51
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@H]2CCCCc3ccccc32)O1	ZINC000852036012	FD	On-Demand	Reactive	BIRC3	29	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@H]2CCCCc3ccccc32)O1	ZINC000852036012	FD	On-Demand	Reactive	BIRC2	41	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2CCCCc3ccccc32)O1	ZINC000852036014	FD	On-Demand	Reactive	BIRC3	29	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2CCCCc3ccccc32)O1	ZINC000852036014	FD	On-Demand	Reactive	BIRC2	41	40
Cc1ccccc1C1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCCC1	ZINC000852036015	FD	On-Demand	Reactive	HCN1	60	36
Cc1ccccc1C1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCCC1	ZINC000852036015	FD	On-Demand	Reactive	HCN4	51	33
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2CCCCc3ccccc32)O1	ZINC000852036016	FD	On-Demand	Reactive	BIRC3	29	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2CCCCc3ccccc32)O1	ZINC000852036016	FD	On-Demand	Reactive	BIRC2	41	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@@H]2CCCCc3ccccc32)O1	ZINC000852036018	FD	On-Demand	Reactive	BIRC3	29	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@@H]2CCCCc3ccccc32)O1	ZINC000852036018	FD	On-Demand	Reactive	BIRC2	41	40
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C[C@H]1CNC(=O)C1	ZINC000852036032	DD	On-Demand	Anodyne	GPR119	27	40
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C[C@@H]1CNC(=O)C1	ZINC000852036035	DD	On-Demand	Anodyne	GPR119	27	40
O=C(NCCC1SCCS1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852036041	GI	On-Demand	Anodyne	RBP4	59	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCCc2ccccc21	ZINC000852036049	GH	On-Demand	Clean	BDKRB1	49	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCCc2ccccc21	ZINC000852036050	GH	On-Demand	Clean	BDKRB1	49	37
O=C(NCCC1SCCS1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852036060	GI	On-Demand	Anodyne	RBP4	59	37
O=C(NCCC1SCCS1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000852036065	GI	On-Demand	Anodyne	RBP4	59	37
O=C(NCCC1SCCS1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000852036069	GI	On-Demand	Anodyne	RBP4	59	37
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-]	ZINC000852036097	FG	On-Demand	Bother	GPR119	41	49
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCC(=O)Nc1ccc(Cl)nc1	ZINC000852036102	GF	On-Demand	Anodyne	GPR119	52	39
COCC[C@@H](C)NC(=O)NNc1ccc(Cl)cn1	ZINC000852036103	CD	On-Demand	Reactive	F10	47	31
COCC[C@H](C)NC(=O)NNc1ccc(Cl)cn1	ZINC000852036105	CD	On-Demand	Reactive	F10	47	31
CC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)C1CCCCC1	ZINC000852036114	EF	On-Demand	Anodyne	EPHX2	18	46
COCC[C@@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852036157	GG	On-Demand	Anodyne	GPR119	29	42
COCC[C@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852036160	GG	On-Demand	Anodyne	GPR119	29	42
COCC[C@@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852036162	GG	On-Demand	Anodyne	GPR119	29	42
Cc1ccncc1CCNC(=O)NCCS(=O)(=O)Cc1ccccc1	ZINC000852036164	FD	On-Demand	Anodyne	NAMPT	24	46
COCC[C@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852036165	GG	On-Demand	Anodyne	GPR119	29	42
O=C(NCCS(=O)(=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852036221	GE	On-Demand	Anodyne	F2	16	40
O=C(NCCS(=O)(=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852036221	GE	On-Demand	Anodyne	DRD4	18	40
O=C(NCCS(=O)(=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852036221	GE	On-Demand	Anodyne	ACHE	31	44
O=C(NCCS(=O)(=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852036221	GE	On-Demand	Anodyne	HTR4	51	38
O=C(NCCS(=O)(=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852036221	GE	On-Demand	Anodyne	GRIN2B	43	37
O=C(NCCS(=O)(=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852036221	GE	On-Demand	Anodyne	SIGMAR1	45	46
O=C(NCCS(=O)(=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852036221	GE	On-Demand	Anodyne	CCR3	56	47
O=C(NCCS(=O)(=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852036221	GE	On-Demand	Anodyne	CACNA1I	59	37
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852036223	GG	On-Demand	Anodyne	FKBP1A	19	41
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852036223	GG	On-Demand	Anodyne	TMPRSS11D	43	32
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852036224	GG	On-Demand	Anodyne	FKBP1A	19	41
O=C(NCCS(=O)(=O)Cc1ccccc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852036224	GG	On-Demand	Anodyne	TMPRSS11D	43	32
CC[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000852036226	FD	On-Demand	Anodyne	GPR119	24	40
O=C(NCc1ncccn1)N[C@H]1CCCCc2ccccc21	ZINC000852036252	CF	On-Demand	Anodyne	KCNN3	15	42
O=C(NCc1ncccn1)N[C@@H]1CCCCc2ccccc21	ZINC000852036253	CF	On-Demand	Anodyne	KCNN3	15	42
COC(=O)N(C)CCNC(=O)NC1CCN(C(=O)CC(C)C)CC1	ZINC000852036283	ED	On-Demand	Anodyne	EPHX2	22	46
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(Oc2ccccc2)cc1	ZINC000852036360	GH	On-Demand	Anodyne	ACACA	29	44
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(Oc2ccccc2)cc1	ZINC000852036360	GH	On-Demand	Anodyne	ACACB	30	44
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(Oc2ccccc2)cc1	ZINC000852036360	GH	On-Demand	Anodyne	BIRC8	47	35
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(Oc2ccccc2)cc1	ZINC000852036365	GH	On-Demand	Anodyne	ACACA	29	44
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(Oc2ccccc2)cc1	ZINC000852036365	GH	On-Demand	Anodyne	ACACB	30	44
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(Oc2ccccc2)cc1	ZINC000852036365	GH	On-Demand	Anodyne	BIRC8	47	35
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852036374	GH	On-Demand	Anodyne	LTA4H	50	48
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852036374	GH	On-Demand	Anodyne	EPHX2	22	40
O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852036374	GH	On-Demand	Anodyne	NPSR1	28	42
O=C(N[C@@H]1CCCCc2ccccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852036409	EF	On-Demand	Anodyne	XIAP	26	41
O=C(N[C@@H]1CCCCc2ccccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852036409	EF	On-Demand	Anodyne	BIRC3	44	41
O=C(N[C@@H]1CCCCc2ccccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852036409	EF	On-Demand	Anodyne	BIRC2	38	41
O=C(N[C@@H]1CCCCc2ccccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852036411	EF	On-Demand	Anodyne	XIAP	26	41
O=C(N[C@@H]1CCCCc2ccccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852036411	EF	On-Demand	Anodyne	BIRC3	44	41
O=C(N[C@@H]1CCCCc2ccccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852036411	EF	On-Demand	Anodyne	BIRC2	38	41
O=C(N[C@H]1CCCCc2ccccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852036413	EF	On-Demand	Anodyne	XIAP	26	41
O=C(N[C@H]1CCCCc2ccccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852036413	EF	On-Demand	Anodyne	BIRC3	44	41
O=C(N[C@H]1CCCCc2ccccc21)N1CC[C@H](N2CCOC2=O)C1	ZINC000852036413	EF	On-Demand	Anodyne	BIRC2	38	41
O=C(N[C@H]1CCCCc2ccccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852036415	EF	On-Demand	Anodyne	XIAP	26	41
O=C(N[C@H]1CCCCc2ccccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852036415	EF	On-Demand	Anodyne	BIRC3	44	41
O=C(N[C@H]1CCCCc2ccccc21)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852036415	EF	On-Demand	Anodyne	BIRC2	38	41
CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852036421	ED	On-Demand	Reactive	HCN1	50	34
CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852036421	ED	On-Demand	Reactive	HCN4	41	32
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852036423	ED	On-Demand	Reactive	HCN1	50	34
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852036423	ED	On-Demand	Reactive	HCN4	41	32
Cc1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nc(C)n1	ZINC000852036442	EF	On-Demand	Anodyne	GPR119	40	41
Cc1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nc(C)n1	ZINC000852036443	EF	On-Demand	Anodyne	GPR119	40	41
Cc1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nc(C)n1	ZINC000852036444	EF	On-Demand	Anodyne	GPR119	40	41
Cc1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nc(C)n1	ZINC000852036445	EF	On-Demand	Anodyne	GPR119	40	41
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@H]1CCCCc2ccccc21	ZINC000852036452	GH	On-Demand	Anodyne	BDKRB1	49	36
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@@H]1CCCCc2ccccc21	ZINC000852036453	GH	On-Demand	Anodyne	BDKRB1	49	36
C#C[C@@H](NC(=O)N[C@H]1CCCCc2ccccc21)C1CCOCC1	ZINC000852036515	EG	On-Demand	Mild	XIAP	20	40
C#C[C@H](NC(=O)N[C@H]1CCCCc2ccccc21)C1CCOCC1	ZINC000852036517	EG	On-Demand	Mild	XIAP	20	40
C#C[C@H](NC(=O)N[C@@H]1CCCCc2ccccc21)C1CCOCC1	ZINC000852036520	EG	On-Demand	Mild	XIAP	20	40
C#C[C@@H](NC(=O)N[C@@H]1CCCCc2ccccc21)C1CCOCC1	ZINC000852036522	EG	On-Demand	Mild	XIAP	20	40
CNC(=O)[C@H]1CN(Cc2cccc(F)n2)C[C@@H]1c1cnn(C)c1	ZINC000852036544	DC	On-Demand	Anodyne	PDE8B	42	33
CC(C)(C)OC(=O)N1CCC2(CC1)CCN2CCOCc1ccccc1	ZINC000852036552	FH	On-Demand	Anodyne	SLC12A5	57	34
O=C(NCCC1SCCS1)N[C@H]1CCN(Cc2ccccc2)C1=O	ZINC000852036562	FE	On-Demand	Anodyne	ACHE	15	41
O=C(NCCC1SCCS1)N[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000852036563	FE	On-Demand	Anodyne	ACHE	15	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)O1	ZINC000852036598	GB	On-Demand	Reactive	BIRC8	45	33
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)O1	ZINC000852036599	GB	On-Demand	Reactive	BIRC8	45	33
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)O1	ZINC000852036600	GB	On-Demand	Reactive	BIRC8	45	33
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)O1	ZINC000852036601	GB	On-Demand	Reactive	BIRC8	45	33
O=C1CCC2=C(CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3C(F)(F)F)C2)N1	ZINC000852036607	GG	On-Demand	Anodyne	RBP4	81	36
O=C1CCC2=C(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)C2)N1	ZINC000852036608	GG	On-Demand	Anodyne	RBP4	81	36
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)C2)N1	ZINC000852036609	GG	On-Demand	Anodyne	RBP4	81	36
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)C2)N1	ZINC000852036610	GG	On-Demand	Anodyne	RBP4	81	36
Cc1ccccc1C1(CNC(=O)NCc2ncccn2)CCCCC1	ZINC000852036630	EG	On-Demand	Anodyne	NMBR	56	35
COCC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852036714	GD	On-Demand	Reactive	DRD4	19	40
COCC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852036714	GD	On-Demand	Reactive	SIGMAR1	18	40
COCC[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852036715	GD	On-Demand	Reactive	DRD4	19	40
COCC[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852036715	GD	On-Demand	Reactive	SIGMAR1	18	40
O=C(CN1CCN(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852036823	GG	On-Demand	Anodyne	HTR1A	24	48
O=C(CN1CCN(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852036823	GG	On-Demand	Anodyne	DRD2	19	48
O=C(CN1CCN(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852036823	GG	On-Demand	Anodyne	DRD4	20	42
O=C(CN1CCN(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852036823	GG	On-Demand	Anodyne	HTR1B	24	40
O=C(CN1CCN(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852036823	GG	On-Demand	Anodyne	DRD3	27	42
O=C(CN1CCN(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852036823	GG	On-Demand	Anodyne	HTR7	26	40
O=C(CN1CCN(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852036823	GG	On-Demand	Anodyne	IMDH_CRYPV	45	39
O=C(CN1CCN(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852036823	GG	On-Demand	Anodyne	SLC27A1	52	39
O=C(CNC(=O)c1ccco1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852036857	GC	On-Demand	Reactive	CACNA1I	59	38
CCOc1ccccc1[C@H](CC)NC(=O)NCCC1SCCS1	ZINC000852036912	FI	On-Demand	Anodyne	HCN1	47	31
CCOc1ccccc1[C@@H](CC)NC(=O)NCCC1SCCS1	ZINC000852036913	FI	On-Demand	Anodyne	HCN1	47	31
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	HTR1A	58	60
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	DRD2	36	60
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	HTR1D	52	38
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	HTR1B	47	43
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	HTR2A	23	60
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	SLC6A4	25	53
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	DRD3	28	44
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	SLC6A3	30	41
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	HTR7	36	43
FC(F)OCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852036983	DF	On-Demand	Anodyne	HNMT	63	39
Fc1cccc(CN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852036984	DG	On-Demand	Anodyne	DRD2	20	53
Fc1cccc(CN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852036984	DG	On-Demand	Anodyne	DRD4	37	40
Fc1cccc(CN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852036984	DG	On-Demand	Anodyne	HTR1D	45	35
Fc1cccc(CN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852036984	DG	On-Demand	Anodyne	HTR1B	42	38
Fc1cccc(CN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852036984	DG	On-Demand	Anodyne	DRD3	18	41
Fc1cccc(CN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852036984	DG	On-Demand	Anodyne	HTR7	18	40
Fc1cccc(CN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852036984	DG	On-Demand	Anodyne	HNMT	47	36
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc(C)no3)C2)cc1	ZINC000852036993	ED	On-Demand	Clean	MTNR1A	24	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc(C)no3)C2)cc1	ZINC000852036993	ED	On-Demand	Clean	MTNR1B	15	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc(C)no3)C2)cc1	ZINC000852036993	ED	On-Demand	Clean	PDK1	40	33
COC(=O)[C@H](NCc1cnon1)c1ccc(OC)c(Cl)c1	ZINC000852037003	DD	On-Demand	Anodyne	PDE6A	41	31
CCOc1ccccc1[C@H](CC)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852037022	GH	On-Demand	Anodyne	PDS	56	33
CCOc1ccccc1[C@@H](CC)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852037023	GH	On-Demand	Anodyne	PDS	56	33
CCOc1ccccc1[C@H](CC)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852037024	GH	On-Demand	Anodyne	PDS	56	33
CCOc1ccccc1[C@@H](CC)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852037025	GH	On-Demand	Anodyne	PDS	56	33
CCOc1ccccc1[C@H](CC)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852037132	FG	On-Demand	Anodyne	SSTR5	47	35
CCOc1ccccc1[C@H](CC)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852037132	FG	On-Demand	Anodyne	HCN1	48	32
CCOc1ccccc1[C@H](CC)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852037132	FG	On-Demand	Anodyne	HCN4	42	32
CCOc1ccccc1[C@@H](CC)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852037133	FG	On-Demand	Anodyne	SSTR5	47	35
CCOc1ccccc1[C@@H](CC)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852037133	FG	On-Demand	Anodyne	HCN1	48	32
CCOc1ccccc1[C@@H](CC)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852037133	FG	On-Demand	Anodyne	HCN4	42	32
O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852037155	GC	On-Demand	Reactive	SCN2A	18	43
O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852037155	GC	On-Demand	Reactive	SCN10A	19	43
COC(=O)[C@H](NC[C@@H](O)c1ccccn1)c1ccc(OC)c(Cl)c1	ZINC000852037182	FE	On-Demand	Anodyne	PDE5A	16	41
COC(=O)[C@H](NC[C@H](O)c1ccccn1)c1ccc(OC)c(Cl)c1	ZINC000852037183	FE	On-Demand	Anodyne	PDE5A	16	41
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	HTR1A	82	61
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	DRD2	57	61
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	DRD4	28	43
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	HTR1D	41	35
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	HTR1B	39	42
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	HTR2A	29	61
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	DRD3	49	45
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	HTR7	49	42
C#CCOCCN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037229	CE	On-Demand	Mild	HNMT	90	46
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	ZINC000852037255	GD	On-Demand	Reactive	KISS1R	42	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)CNC(=O)c1ccco1	ZINC000852037256	GD	On-Demand	Reactive	KISS1R	42	34
COC(=O)[C@H](NCCSc1cccc(OC)c1)c1ccc2c(c1)CCO2	ZINC000852037275	FG	On-Demand	Anodyne	MTNR1A	17	49
COC(=O)[C@H](NCCSc1cccc(OC)c1)c1ccc2c(c1)CCO2	ZINC000852037275	FG	On-Demand	Anodyne	MTNR1B	17	49
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	HTR1A	47	48
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	DRD2	29	48
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	ADRA1D	18	40
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	HTR2A	15	48
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	ADRA1A	16	40
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	DRD3	29	43
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	HTR7	30	41
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	HNMT	44	33
CCOP(=O)(OCC)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037314	GF	On-Demand	Anodyne	ABCB1	48	39
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	HTR1A	47	48
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	DRD2	29	48
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	ADRA1D	18	40
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	HTR2A	15	48
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	ADRA1A	16	40
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	DRD3	29	43
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	HTR7	30	41
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	HNMT	44	33
CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1	ZINC000852037315	GF	On-Demand	Anodyne	ABCB1	48	39
O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852037325	GC	On-Demand	Reactive	SLC6A5	17	40
O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852037326	GC	On-Demand	Reactive	SLC6A5	17	40
CCOc1ccccc1[C@@H](CC)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852037338	FF	On-Demand	Reactive	HCN1	47	31
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852037339	FF	On-Demand	Reactive	HCN1	47	31
Brc1ncn(CCN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852037403	GE	On-Demand	Anodyne	HTR1A	40	34
Brc1ncn(CCN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852037403	GE	On-Demand	Anodyne	DRD2	15	59
Brc1ncn(CCN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852037403	GE	On-Demand	Anodyne	HTR1D	47	35
Brc1ncn(CCN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852037403	GE	On-Demand	Anodyne	HTR1B	51	46
Brc1ncn(CCN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852037403	GE	On-Demand	Anodyne	DRD3	15	46
Brc1ncn(CCN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852037403	GE	On-Demand	Anodyne	HTR7	20	46
Brc1ncn(CCN2CCN(c3ccnc4ccccc34)CC2)n1	ZINC000852037403	GE	On-Demand	Anodyne	HNMT	57	38
O=C1CC[C@@H](CN2CCN(c3ccnc4ccccc34)CC2)O1	ZINC000852037452	DE	On-Demand	Anodyne	HTR1B	28	42
O=C1CC[C@H](CN2CCN(c3ccnc4ccccc34)CC2)O1	ZINC000852037453	DE	On-Demand	Anodyne	HTR1B	28	42
O[C@@H](CN1CCN(c2ccnc3ccccc23)CC1)c1ccccn1	ZINC000852037454	EE	On-Demand	Anodyne	HTR1A	26	54
O[C@@H](CN1CCN(c2ccnc3ccccc23)CC1)c1ccccn1	ZINC000852037454	EE	On-Demand	Anodyne	METAP1	45	40
O[C@@H](CN1CCN(c2ccnc3ccccc23)CC1)c1ccccn1	ZINC000852037454	EE	On-Demand	Anodyne	HNMT	42	35
O[C@@H](CN1CCN(c2ccnc3ccccc23)CC1)c1ccccn1	ZINC000852037454	EE	On-Demand	Anodyne	ABCB1	30	41
O[C@H](CN1CCN(c2ccnc3ccccc23)CC1)c1ccccn1	ZINC000852037455	EE	On-Demand	Anodyne	HTR1A	26	54
O[C@H](CN1CCN(c2ccnc3ccccc23)CC1)c1ccccn1	ZINC000852037455	EE	On-Demand	Anodyne	METAP1	45	40
O[C@H](CN1CCN(c2ccnc3ccccc23)CC1)c1ccccn1	ZINC000852037455	EE	On-Demand	Anodyne	HNMT	42	35
O[C@H](CN1CCN(c2ccnc3ccccc23)CC1)c1ccccn1	ZINC000852037455	EE	On-Demand	Anodyne	ABCB1	30	41
NC(=O)[C@@](O)(CN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852037598	GD	On-Demand	Anodyne	DRD2	15	57
NC(=O)[C@@](O)(CN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852037598	GD	On-Demand	Anodyne	HTR1D	42	36
NC(=O)[C@@](O)(CN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852037598	GD	On-Demand	Anodyne	HTR1B	40	39
NC(=O)[C@@](O)(CN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852037598	GD	On-Demand	Anodyne	METAP1	44	39
NC(=O)[C@](O)(CN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852037599	GD	On-Demand	Anodyne	DRD2	15	57
NC(=O)[C@](O)(CN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852037599	GD	On-Demand	Anodyne	HTR1D	42	36
NC(=O)[C@](O)(CN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852037599	GD	On-Demand	Anodyne	HTR1B	40	39
NC(=O)[C@](O)(CN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852037599	GD	On-Demand	Anodyne	METAP1	44	39
O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852037622	GC	On-Demand	Reactive	SIGMAR1	15	41
O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852037623	GC	On-Demand	Reactive	SIGMAR1	15	41
COC(=O)[C@H](NCc1cccc(F)n1)c1ccc(OC)c(Cl)c1	ZINC000852037630	EF	On-Demand	Anodyne	PDE5A	16	41
O=C(CNC(=O)c1cccs1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852037684	GC	On-Demand	Reactive	CACNA1I	58	36
CCOc1ccccc1[C@H](CC)NC(=O)NCc1ncccn1	ZINC000852037722	DF	On-Demand	Anodyne	HCN1	49	33
CCOc1ccccc1[C@H](CC)NC(=O)NCc1ncccn1	ZINC000852037722	DF	On-Demand	Anodyne	HCN4	41	33
CCOc1ccccc1[C@@H](CC)NC(=O)NCc1ncccn1	ZINC000852037723	DF	On-Demand	Anodyne	HCN1	49	33
CCOc1ccccc1[C@@H](CC)NC(=O)NCc1ncccn1	ZINC000852037723	DF	On-Demand	Anodyne	HCN4	41	33
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852037734	GD	On-Demand	Reactive	HCN1	47	32
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852037735	GD	On-Demand	Reactive	HCN1	47	32
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852037736	GD	On-Demand	Reactive	HCN1	47	32
CCOc1ccccc1[C@H](CC)NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852037737	GD	On-Demand	Reactive	HCN1	47	32
c1ccc2c(N3CCN(Cc4cnon4)CC3)ccnc2c1	ZINC000852037769	CD	On-Demand	Anodyne	HNMT	47	36
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)Cc4ccccc43)C2)cc1	ZINC000852037791	GE	On-Demand	Clean	HTR1A	22	42
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)Cc4ccccc43)C2)cc1	ZINC000852037791	GE	On-Demand	Clean	DRD2	16	43
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)Cc4ccccc43)C2)cc1	ZINC000852037791	GE	On-Demand	Clean	DRD4	43	33
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)Cc4ccccc43)C2)cc1	ZINC000852037791	GE	On-Demand	Clean	DRD3	23	42
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)Cc4ccccc43)C2)cc1	ZINC000852037791	GE	On-Demand	Clean	HTR7	26	43
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)Cc4ccccc43)C2)cc1	ZINC000852037791	GE	On-Demand	Clean	MTNR1A	20	44
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)Cc4ccccc43)C2)cc1	ZINC000852037791	GE	On-Demand	Clean	MTNR1B	20	44
O=C(CC(F)(F)F)NC[C@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852037798	EF	On-Demand	Anodyne	CHRM4	15	46
O=C(CC(F)(F)F)NC[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852037799	EF	On-Demand	Anodyne	CHRM4	15	46
CCCCNC(=O)OC[C@@H]1CCCCN1Cc1ccc(S(=O)(=O)NC)cc1	ZINC000852037810	GE	On-Demand	Anodyne	APP	16	40
CO[C@@H]1CC[C@@H](N2CCC([C@@H](F)c3ccccc3F)CC2)C1	ZINC000852037822	DI	On-Demand	Anodyne	CHRM1	15	47
CO[C@@H]1CC[C@@H](N2CCC([C@H](F)c3ccccc3F)CC2)C1	ZINC000852037823	DI	On-Demand	Anodyne	CHRM1	15	47
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cnon2)C1	ZINC000852037902	EE	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cnon2)C1	ZINC000852037902	EE	On-Demand	Anodyne	PREP	63	39
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cnon2)C1	ZINC000852037902	EE	On-Demand	Anodyne	BIRC2	38	42
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cnon2)C1	ZINC000852037903	EE	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cnon2)C1	ZINC000852037903	EE	On-Demand	Anodyne	PREP	63	39
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cnon2)C1	ZINC000852037903	EE	On-Demand	Anodyne	BIRC2	38	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)CCO4)C2)cc1	ZINC000852037911	FF	On-Demand	Clean	EDNRA	36	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)CCO4)C2)cc1	ZINC000852037911	FF	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)CCO4)C2)cc1	ZINC000852037911	FF	On-Demand	Clean	MTNR1B	17	46
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)CCO4)C2)cc1	ZINC000852037911	FF	On-Demand	Clean	MCHR1	18	54
CCOC(=O)c1cnn(C2CCN(C[C@@H](O)c3ccccn3)CC2)c1C	ZINC000852037915	FE	On-Demand	Anodyne	HCN1	41	33
CCOC(=O)c1cnn(C2CCN(C[C@@H](O)c3ccccn3)CC2)c1C	ZINC000852037915	FE	On-Demand	Anodyne	HCN4	41	33
CCOC(=O)c1cnn(C2CCN(C[C@H](O)c3ccccn3)CC2)c1C	ZINC000852037916	FE	On-Demand	Anodyne	HCN1	41	33
CCOC(=O)c1cnn(C2CCN(C[C@H](O)c3ccccn3)CC2)c1C	ZINC000852037916	FE	On-Demand	Anodyne	HCN4	41	33
NC(=O)[C@](O)(CN1CCC([C@@H](F)c2ccccc2F)CC1)c1ccccc1	ZINC000852037931	FF	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@](O)(CN1CCC([C@H](F)c2ccccc2F)CC1)c1ccccc1	ZINC000852037932	FF	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@@](O)(CN1CCC([C@H](F)c2ccccc2F)CC1)c1ccccc1	ZINC000852037933	FF	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@@](O)(CN1CCC([C@@H](F)c2ccccc2F)CC1)c1ccccc1	ZINC000852037934	FF	On-Demand	Anodyne	CYP2J2	46	33
CCc1ccc(N2CCN(CCN3C(=O)CN(C)C3=O)CC2)cc1Cl	ZINC000852037936	FD	On-Demand	Anodyne	HTR1A	33	50
CCc1ccc(N2CCN(CCN3C(=O)CN(C)C3=O)CC2)cc1Cl	ZINC000852037936	FD	On-Demand	Anodyne	ADRA1D	26	50
CCc1ccc(N2CCN(CCN3C(=O)CN(C)C3=O)CC2)cc1Cl	ZINC000852037936	FD	On-Demand	Anodyne	HTR2A	17	44
CCc1ccc(N2CCN(CCN3C(=O)CN(C)C3=O)CC2)cc1Cl	ZINC000852037936	FD	On-Demand	Anodyne	ADRA1B	18	44
CCc1ccc(N2CCN(CCN3C(=O)CN(C)C3=O)CC2)cc1Cl	ZINC000852037936	FD	On-Demand	Anodyne	HTR7	26	45
CCc1ccc(N2CCN(CC(=O)Nc3cnccn3)CC2)cc1Cl	ZINC000852037937	FE	On-Demand	Anodyne	DRD4	41	33
CCc1ccc(N2CCN(CC(=O)Nc3cnccn3)CC2)cc1Cl	ZINC000852037937	FE	On-Demand	Anodyne	KARS	40	33
CCc1ccc(N2CCN(CC(=O)Nc3cnccn3)CC2)cc1Cl	ZINC000852037937	FE	On-Demand	Anodyne	SLC27A1	41	38
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N[C@H]1C=CCC1	ZINC000852037944	FE	On-Demand	Anodyne	EPHX2	29	43
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N[C@H]1C=CCC1	ZINC000852037944	FE	On-Demand	Anodyne	NAMPT	71	55
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852037945	FE	On-Demand	Anodyne	EPHX2	29	43
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N[C@@H]1C=CCC1	ZINC000852037945	FE	On-Demand	Anodyne	NAMPT	71	55
CCc1ccc(N2CCN(C[C@@H]3CCC(=O)O3)CC2)cc1Cl	ZINC000852037970	DF	On-Demand	Anodyne	BCL2A1	43	38
CCc1ccc(N2CCN(C[C@H]3CCC(=O)O3)CC2)cc1Cl	ZINC000852037971	DF	On-Demand	Anodyne	BCL2A1	43	38
CN(C)S(=O)(=O)[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852037974	FB	On-Demand	Anodyne	AMY2	44	31
CN(C)S(=O)(=O)[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852037975	FB	On-Demand	Anodyne	AMY2	44	31
CN(C)S(=O)(=O)[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852037976	FB	On-Demand	Anodyne	AMY2	44	31
CN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852037977	FB	On-Demand	Anodyne	AMY2	44	31
CCc1ccc(N2CCN(C[C@H](O)c3ccccn3)CC2)cc1Cl	ZINC000852038041	EG	On-Demand	Anodyne	DRD4	30	43
CCc1ccc(N2CCN(C[C@@H](O)c3ccccn3)CC2)cc1Cl	ZINC000852038042	EG	On-Demand	Anodyne	DRD4	30	43
Fc1ccccc1[C@@H](F)C1CCN(CCOC(F)F)CC1	ZINC000852038172	DH	On-Demand	Anodyne	SLC6A3	52	41
Fc1ccccc1[C@H](F)C1CCN(CCOC(F)F)CC1	ZINC000852038173	DH	On-Demand	Anodyne	SLC6A3	52	41
O=C(CC(F)(F)F)NC[C@H]1CCCN(CC=C(Cl)Cl)C1	ZINC000852038203	EG	On-Demand	Anodyne	CHRM4	15	46
O=C(CC(F)(F)F)NC[C@@H]1CCCN(CC=C(Cl)Cl)C1	ZINC000852038204	EG	On-Demand	Anodyne	CHRM4	15	46
CN(CCOC(F)F)CCc1ccccc1[N+](=O)[O-]	ZINC000852038207	CE	On-Demand	Bother	COLA	113	37
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038226	FF	On-Demand	Anodyne	FKBP1A	40	42
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038226	FF	On-Demand	Anodyne	SIGMAR1	20	43
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038226	FF	On-Demand	Anodyne	PREP	56	42
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038226	FF	On-Demand	Anodyne	BIRC2	43	46
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038227	FF	On-Demand	Anodyne	FKBP1A	40	42
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038227	FF	On-Demand	Anodyne	SIGMAR1	20	43
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038227	FF	On-Demand	Anodyne	PREP	56	42
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038227	FF	On-Demand	Anodyne	BIRC2	43	46
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038228	FF	On-Demand	Anodyne	FKBP1A	40	42
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038228	FF	On-Demand	Anodyne	SIGMAR1	20	43
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038228	FF	On-Demand	Anodyne	PREP	56	42
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038228	FF	On-Demand	Anodyne	BIRC2	43	46
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038229	FF	On-Demand	Anodyne	FKBP1A	40	42
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038229	FF	On-Demand	Anodyne	SIGMAR1	20	43
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038229	FF	On-Demand	Anodyne	PREP	56	42
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038229	FF	On-Demand	Anodyne	BIRC2	43	46
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038234	EE	On-Demand	Anodyne	FKBP1A	38	40
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038234	EE	On-Demand	Anodyne	CYSLTR2	40	31
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038234	EE	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038234	EE	On-Demand	Anodyne	PREP	48	39
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038234	EE	On-Demand	Anodyne	NAAA	26	40
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038234	EE	On-Demand	Anodyne	BIRC2	38	43
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038235	EE	On-Demand	Anodyne	FKBP1A	38	40
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038235	EE	On-Demand	Anodyne	CYSLTR2	40	31
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038235	EE	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038235	EE	On-Demand	Anodyne	PREP	48	39
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038235	EE	On-Demand	Anodyne	NAAA	26	40
O=C(CCCc1ccccc1)N[C@@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038235	EE	On-Demand	Anodyne	BIRC2	38	43
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038236	EE	On-Demand	Anodyne	FKBP1A	38	40
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038236	EE	On-Demand	Anodyne	CYSLTR2	40	31
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038236	EE	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038236	EE	On-Demand	Anodyne	PREP	48	39
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038236	EE	On-Demand	Anodyne	NAAA	26	40
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852038236	EE	On-Demand	Anodyne	BIRC2	38	43
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038237	EE	On-Demand	Anodyne	FKBP1A	38	40
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038237	EE	On-Demand	Anodyne	CYSLTR2	40	31
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038237	EE	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038237	EE	On-Demand	Anodyne	PREP	48	39
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038237	EE	On-Demand	Anodyne	NAAA	26	40
O=C(CCCc1ccccc1)N[C@H]1CCCN(C[C@H]2CCC(=O)O2)C1	ZINC000852038237	EE	On-Demand	Anodyne	BIRC2	38	43
CC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)c1ccc(OC)c(OC)c1	ZINC000852038274	FE	On-Demand	Anodyne	PDS	75	35
CC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1ccc(OC)c(OC)c1	ZINC000852038275	FE	On-Demand	Anodyne	PDS	75	35
O=C(NCc1ccc(F)c(Cl)c1)N[C@H]1C=CCC1	ZINC000852038290	CF	On-Demand	Anodyne	SSTR3	24	43
O=C(NCc1ccc(F)c(Cl)c1)N[C@@H]1C=CCC1	ZINC000852038291	CF	On-Demand	Anodyne	SSTR3	24	43
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	FKBP1A	43	40
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	SLC6A1	154	46
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	HTR4	15	41
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	LTA4H	24	43
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	CYSLTR2	47	33
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	HRH3	26	45
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	SIGMAR1	39	46
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	PREP	60	41
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	ABCB1	15	42
C#CCOCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038393	EE	On-Demand	Mild	BIRC2	45	50
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	FKBP1A	43	40
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	SLC6A1	154	46
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	HTR4	15	41
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	LTA4H	24	43
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	CYSLTR2	47	33
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	HRH3	26	45
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	SIGMAR1	39	46
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	PREP	60	41
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	ABCB1	15	42
C#CCOCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000852038394	EE	On-Demand	Mild	BIRC2	45	50
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H]1CCC(=O)O1	ZINC000852038426	ED	On-Demand	Anodyne	DRD2	25	50
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H]1CCC(=O)O1	ZINC000852038426	ED	On-Demand	Anodyne	DRD4	45	38
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H]1CCC(=O)O1	ZINC000852038426	ED	On-Demand	Anodyne	ACHE	44	44
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H]1CCC(=O)O1	ZINC000852038426	ED	On-Demand	Anodyne	SIGMAR1	94	50
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H]1CCC(=O)O1	ZINC000852038428	ED	On-Demand	Anodyne	DRD2	25	50
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H]1CCC(=O)O1	ZINC000852038428	ED	On-Demand	Anodyne	DRD4	45	38
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H]1CCC(=O)O1	ZINC000852038428	ED	On-Demand	Anodyne	ACHE	44	44
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H]1CCC(=O)O1	ZINC000852038428	ED	On-Demand	Anodyne	SIGMAR1	94	50
C#CCOCCN(C)CCc1ccccc1[N+](=O)[O-]	ZINC000852038437	CD	On-Demand	Mild	COLA	95	34
CCc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852038561	FE	On-Demand	Reactive	LUXR	50	33
CCc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852038561	FE	On-Demand	Reactive	TRAR	40	32
CCc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852038562	FE	On-Demand	Reactive	LUXR	50	33
CCc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852038562	FE	On-Demand	Reactive	TRAR	40	32
COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852038570	FF	On-Demand	Anodyne	AMY2	44	31
COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852038571	FF	On-Demand	Anodyne	AMY2	44	31
COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852038572	FF	On-Demand	Anodyne	AMY2	44	31
COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852038573	FF	On-Demand	Anodyne	AMY2	44	31
NC(=O)[C@@](O)(CN1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1	ZINC000852038599	CD	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@@](O)(CN1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1	ZINC000852038599	CD	On-Demand	Anodyne	CHRM3	46	43
NC(=O)[C@@](O)(CN1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1	ZINC000852038599	CD	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@@](O)(CN1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1	ZINC000852038599	CD	On-Demand	Anodyne	CYP2J2	47	34
NC(=O)[C@](O)(CN1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1	ZINC000852038600	CD	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@](O)(CN1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1	ZINC000852038600	CD	On-Demand	Anodyne	CHRM3	46	43
NC(=O)[C@](O)(CN1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1	ZINC000852038600	CD	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@](O)(CN1C[C@H]2CCC[C@@H](C2)C1)c1ccccc1	ZINC000852038600	CD	On-Demand	Anodyne	CYP2J2	47	34
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NCc1ncccn1	ZINC000852038619	GD	On-Demand	Anodyne	EPHX2	19	41
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NCc1ncccn1	ZINC000852038619	GD	On-Demand	Anodyne	AKR1C3	52	36
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NCc1ncccn1	ZINC000852038619	GD	On-Demand	Anodyne	NAMPT	103	59
NC(=O)[C@](O)(CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038652	GG	On-Demand	Anodyne	TACR1	29	41
NC(=O)[C@](O)(CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038652	GG	On-Demand	Anodyne	CCR2	62	39
NC(=O)[C@](O)(CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038652	GG	On-Demand	Anodyne	LIPG	45	32
NC(=O)[C@@](O)(CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038655	GG	On-Demand	Anodyne	TACR1	29	41
NC(=O)[C@@](O)(CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038655	GG	On-Demand	Anodyne	CCR2	62	39
NC(=O)[C@@](O)(CN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038655	GG	On-Demand	Anodyne	LIPG	45	32
NC(=O)[C@@](O)(CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038657	GG	On-Demand	Anodyne	TACR1	29	41
NC(=O)[C@@](O)(CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038657	GG	On-Demand	Anodyne	CCR2	62	39
NC(=O)[C@@](O)(CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038657	GG	On-Demand	Anodyne	LIPG	45	32
NC(=O)[C@](O)(CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038660	GG	On-Demand	Anodyne	TACR1	29	41
NC(=O)[C@](O)(CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038660	GG	On-Demand	Anodyne	CCR2	62	39
NC(=O)[C@](O)(CN1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1	ZINC000852038660	GG	On-Demand	Anodyne	LIPG	45	32
CS(=O)(=O)NCC1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852038670	DC	On-Demand	Anodyne	HTR4	51	45
CS(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852038672	DC	On-Demand	Anodyne	HTR4	51	45
CCc1ccc(N2CCN(CCC(OC)OC)CC2)cc1Cl	ZINC000852038685	EG	On-Demand	Anodyne	HTR1A	28	45
CCc1ccc(N2CCN(CCC(OC)OC)CC2)cc1Cl	ZINC000852038685	EG	On-Demand	Anodyne	DRD4	44	35
CCc1ccc(N2CCN(CCC(OC)OC)CC2)cc1Cl	ZINC000852038685	EG	On-Demand	Anodyne	HTR2A	20	42
CCc1ccc(N2CCN(CCC(OC)OC)CC2)cc1Cl	ZINC000852038685	EG	On-Demand	Anodyne	HTR7	30	42
O=C(CC(F)(F)F)NC[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038701	ED	On-Demand	Anodyne	CCR3	16	41
O=C(CC(F)(F)F)NC[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038702	ED	On-Demand	Anodyne	CCR3	16	41
O=C(CC(F)(F)F)NC[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852038703	ED	On-Demand	Anodyne	CCR3	16	41
O=C(CC(F)(F)F)NC[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852038704	ED	On-Demand	Anodyne	CCR3	16	41
CCCCNC(=O)OC[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852038705	GD	On-Demand	Anodyne	AMY2	45	31
CCCCNC(=O)OC[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852038706	GD	On-Demand	Anodyne	AMY2	45	31
COC(=O)[C@@]1(C(F)(F)F)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852038710	EF	On-Demand	Mild	KCNJ1	38	48
CS(=O)(=O)NCC1CCN(CC(F)(F)Br)CC1	ZINC000852038711	ED	On-Demand	Anodyne	CACNA1I	45	33
COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cccc(OC)c2Cl)C1	ZINC000852038713	FG	On-Demand	Anodyne	CCR8	30	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(NC(C)=O)CC3)C2)cc1	ZINC000852038714	FE	On-Demand	Clean	MTNR1A	20	49
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(NC(C)=O)CC3)C2)cc1	ZINC000852038714	FE	On-Demand	Clean	MTNR1B	16	49
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(NC(C)=O)CC3)C2)cc1	ZINC000852038714	FE	On-Demand	Clean	EPHX2	43	41
CO[C@@H]1CC[C@@H](N(C)CCN2CCN(Cc3ccccc3)CC2)C1	ZINC000852038726	EE	On-Demand	Anodyne	ACHE	33	43
CO[C@@H]1CC[C@@H](N(C)CCN2CCN(Cc3ccccc3)CC2)C1	ZINC000852038726	EE	On-Demand	Anodyne	SLC6A3	21	45
CO[C@@H]1CC[C@@H](N(C)CCN2CCN(Cc3ccccc3)CC2)C1	ZINC000852038726	EE	On-Demand	Anodyne	SIGMAR1	93	47
COCCN(CCF)C(=O)NCCN1C(=O)Cc2ccccc21	ZINC000852038755	DD	On-Demand	Anodyne	DRD3	17	40
CO[C@@H]1CC[C@@H](N(C)CCc2ccccc2[N+](=O)[O-])C1	ZINC000852038766	CF	On-Demand	Bother	COLA	75	33
COC[C@@H](CN(Cc1ccccc1)C[C@H](O)c1ccccc1)OC	ZINC000852038786	EF	On-Demand	Anodyne	AOC3	22	42
COC[C@@H](CN(Cc1ccccc1)C[C@@H](O)c1ccccc1)OC	ZINC000852038788	EF	On-Demand	Anodyne	AOC3	22	42
CC(C)(C)OC(=O)N1CCN(Cc2cnon2)[C@H](C#N)C1	ZINC000852038798	CD	On-Demand	Mild	GPR119	27	40
COCCN(CCF)C(=O)NCc1ccc(F)c(Cl)c1	ZINC000852038830	DF	On-Demand	Anodyne	UL54	53	32
CC(C)(C)OC(=O)N1CCN(Cc2cnon2)[C@@H](C#N)C1	ZINC000852038842	CD	On-Demand	Mild	GPR119	27	40
COC(=O)N(C)CCNC(=O)NCc1ccc(OC)c(Br)c1	ZINC000852038843	FD	On-Demand	Anodyne	TRPV1	15	40
CS(=O)(=O)NCC1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852038867	FC	On-Demand	Anodyne	NPY5R	21	41
CS(=O)(=O)NCC1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852038867	FC	On-Demand	Anodyne	CACNA1I	56	38
Cc1ccccc1[C@@H](O)C1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1	ZINC000852038868	DI	On-Demand	Anodyne	SLC18A3	69	40
O=C(NCc1ccc(F)c(Cl)c1)N1CCn2ncc(Br)c2C1	ZINC000852038881	GG	On-Demand	Anodyne	MAPK1	38	50
CC(C)(C)OC(=O)N1CCN(CCOCc2ccccc2)[C@@H](C#N)C1	ZINC000852038930	EF	On-Demand	Mild	DPP4	16	40
CC(C)(C)OC(=O)N1CCN(CCOCc2ccccc2)[C@@H](C#N)C1	ZINC000852038930	EF	On-Demand	Mild	GBA2	43	37
CC(C)(C)OC(=O)N1CCN(CCOCc2ccccc2)[C@@H](C#N)C1	ZINC000852038930	EF	On-Demand	Mild	GPR119	34	43
CC(C)(C)OC(=O)N1CCN(CCOCc2ccccc2)[C@H](C#N)C1	ZINC000852038934	EF	On-Demand	Mild	DPP4	16	40
CC(C)(C)OC(=O)N1CCN(CCOCc2ccccc2)[C@H](C#N)C1	ZINC000852038934	EF	On-Demand	Mild	GBA2	43	37
CC(C)(C)OC(=O)N1CCN(CCOCc2ccccc2)[C@H](C#N)C1	ZINC000852038934	EF	On-Demand	Mild	GPR119	34	43
FC(F)OCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21	ZINC000852038936	CG	On-Demand	Anodyne	SLC6A3	15	40
FC(F)OCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21	ZINC000852038939	CG	On-Demand	Anodyne	SLC6A3	15	40
FC(F)OCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21	ZINC000852038942	CG	On-Demand	Anodyne	SLC6A3	15	40
FC(F)OCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21	ZINC000852038944	CG	On-Demand	Anodyne	SLC6A3	15	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H](O)c1ccccn1	ZINC000852038951	FD	On-Demand	Anodyne	HTR1A	16	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H](O)c1ccccn1	ZINC000852038951	FD	On-Demand	Anodyne	DRD2	17	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H](O)c1ccccn1	ZINC000852038951	FD	On-Demand	Anodyne	DRD4	42	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H](O)c1ccccn1	ZINC000852038951	FD	On-Demand	Anodyne	SIGMAR1	53	42
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H](O)c1ccccn1	ZINC000852038954	FD	On-Demand	Anodyne	HTR1A	16	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H](O)c1ccccn1	ZINC000852038954	FD	On-Demand	Anodyne	DRD2	17	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H](O)c1ccccn1	ZINC000852038954	FD	On-Demand	Anodyne	DRD4	42	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H](O)c1ccccn1	ZINC000852038954	FD	On-Demand	Anodyne	SIGMAR1	53	42
O=C(CN1CCOC[C@H]1c1nnc(-c2ccccc2)o1)Nc1ccc(Cl)nc1	ZINC000852038984	GF	On-Demand	Anodyne	DGAT1	31	47
O=C(CN1CCOC[C@@H]1c1nnc(-c2ccccc2)o1)Nc1ccc(Cl)nc1	ZINC000852038985	GF	On-Demand	Anodyne	DGAT1	31	47
COC(=O)N1CCC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852038998	FD	On-Demand	Anodyne	PYGL	30	45
COC(=O)N1CCC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852038998	FD	On-Demand	Anodyne	PYGM	28	45
COC(=O)N1CCC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852038998	FD	On-Demand	Anodyne	BIRC2	19	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039000	FD	On-Demand	Anodyne	PYGL	30	45
COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039000	FD	On-Demand	Anodyne	PYGM	28	45
COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039000	FD	On-Demand	Anodyne	BIRC2	19	41
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039003	FD	On-Demand	Anodyne	PYGL	30	45
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039003	FD	On-Demand	Anodyne	PYGM	28	45
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039003	FD	On-Demand	Anodyne	BIRC2	19	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039005	FD	On-Demand	Anodyne	PYGL	30	45
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039005	FD	On-Demand	Anodyne	PYGM	28	45
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852039005	FD	On-Demand	Anodyne	BIRC2	19	41
C[C@@H]1CCN(C(=O)NCc2ccc(F)c(Cl)c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852039008	GG	On-Demand	Anodyne	EPHX2	18	45
C[C@@H]1CC[C@H](c2ccccc2)N(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852039038	EF	On-Demand	Anodyne	AMY2	43	30
C[C@@H]1CC[C@H](c2ccccc2)N(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852039040	EF	On-Demand	Anodyne	AMY2	43	30
O=C(NCc1cccc(OCC(F)F)c1)NCC1SCCS1	ZINC000852039044	EF	On-Demand	Anodyne	PDS	90	41
O=C(NCc1cccc(OCC(F)F)c1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852039059	GD	On-Demand	Reactive	PDS	46	34
CC(C)(C)OC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)[C@@H](C#N)C1	ZINC000852039069	EF	On-Demand	Mild	GPR119	27	41
O=C(CC(F)(F)F)NC[C@H]1CCCN(CC(F)(F)Br)C1	ZINC000852039114	FF	On-Demand	Anodyne	CHRM4	17	48
O=C(CC(F)(F)F)NC[C@@H]1CCCN(CC(F)(F)Br)C1	ZINC000852039115	FF	On-Demand	Anodyne	CHRM4	17	48
CN(CC=C(Cl)Cl)CCc1ccccc1[N+](=O)[O-]	ZINC000852039161	CG	On-Demand	Bother	COLA	112	38
CC(C)(C)OC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)[C@H](C#N)C1	ZINC000852039170	EF	On-Demand	Mild	GPR119	27	41
CC(C)(C)OC(=O)N1CCN(CC(F)(F)Br)[C@H](C#N)C1	ZINC000852039215	FE	On-Demand	Mild	GPR119	31	40
CC(C)(C)OC(=O)N1CCN(CC(F)(F)Br)[C@@H](C#N)C1	ZINC000852039217	FE	On-Demand	Mild	GPR119	31	40
CC[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccc(OC)c(OC)c1	ZINC000852039219	FG	On-Demand	Anodyne	ENPP1	83	42
CCc1cccc2c1OCC[C@@H]2NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852039223	EE	On-Demand	Anodyne	LUXR	42	32
CCc1cccc2c1OCC[C@H]2NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852039225	EE	On-Demand	Anodyne	LUXR	42	32
O=C1CC[C@@H](CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1	ZINC000852039226	DE	On-Demand	Anodyne	SIGMAR1	72	49
O=C1CC[C@H](CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1	ZINC000852039228	DE	On-Demand	Anodyne	SIGMAR1	72	49
O=C1CC[C@H](CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1	ZINC000852039230	DE	On-Demand	Anodyne	SIGMAR1	72	49
O=C1CC[C@@H](CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1	ZINC000852039232	DE	On-Demand	Anodyne	SIGMAR1	72	49
Fc1cccc(CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1	ZINC000852039235	EG	On-Demand	Anodyne	SIGMAR1	46	44
Fc1cccc(CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1	ZINC000852039237	EG	On-Demand	Anodyne	SIGMAR1	46	44
O=C1CCC2=C(CCN(C(=O)NCc3ccc(F)c(Cl)c3)C2)N1	ZINC000852039241	EF	On-Demand	Anodyne	MAPK1	34	50
C#CCOCCN(C)CCN1CCN(Cc2ccccc2)CC1	ZINC000852039243	DD	On-Demand	Mild	SLC6A3	20	41
C#CCOCCN(C)CCN1CCN(Cc2ccccc2)CC1	ZINC000852039243	DD	On-Demand	Mild	HRH3	21	43
C#CCOCCN(C)CCN1CCN(Cc2ccccc2)CC1	ZINC000852039243	DD	On-Demand	Mild	SIGMAR1	72	52
CC(C)(C)OC(=O)N1CCN(Cc2cncs2)[C@H](C#N)C1	ZINC000852039244	DE	On-Demand	Mild	GPR119	29	40
CC(C)(C)OC(=O)N1CCN(Cc2cncs2)[C@@H](C#N)C1	ZINC000852039246	DE	On-Demand	Mild	GPR119	29	40
CS(=O)(=O)NCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039282	FB	On-Demand	Anodyne	HTR4	45	42
CS(=O)(=O)NCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039282	FB	On-Demand	Anodyne	CHRM3	54	38
CS(=O)(=O)NCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039282	FB	On-Demand	Anodyne	CACNA1I	53	35
CS(=O)(=O)NCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039282	FB	On-Demand	Anodyne	CYP2J2	47	34
CS(=O)(=O)NCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039287	FB	On-Demand	Anodyne	HTR4	45	42
CS(=O)(=O)NCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039287	FB	On-Demand	Anodyne	CHRM3	54	38
CS(=O)(=O)NCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039287	FB	On-Demand	Anodyne	CACNA1I	53	35
CS(=O)(=O)NCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039287	FB	On-Demand	Anodyne	CYP2J2	47	34
C#CCOCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852039334	ED	On-Demand	Mild	SLC6A3	27	42
C#CCOCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852039334	ED	On-Demand	Mild	HRH3	20	41
C#CCOCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852039334	ED	On-Demand	Mild	SIGMAR1	58	40
C#CCOCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852039334	ED	On-Demand	Mild	SLC18A3	24	40
C#CCOCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852039337	ED	On-Demand	Mild	SLC6A3	27	42
C#CCOCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852039337	ED	On-Demand	Mild	HRH3	20	41
C#CCOCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852039337	ED	On-Demand	Mild	SIGMAR1	58	40
C#CCOCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852039337	ED	On-Demand	Mild	SLC18A3	24	40
Cc1ccccc1[C@@H](O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852039348	DH	On-Demand	Anodyne	DRD2	17	51
Cc1ccccc1[C@@H](O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852039348	DH	On-Demand	Anodyne	ACHE	26	40
Cc1ccccc1[C@@H](O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852039348	DH	On-Demand	Anodyne	SIGMAR1	43	46
Cc1ccccc1[C@H](O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852039350	DH	On-Demand	Anodyne	DRD2	17	51
Cc1ccccc1[C@H](O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852039350	DH	On-Demand	Anodyne	ACHE	26	40
Cc1ccccc1[C@H](O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852039350	DH	On-Demand	Anodyne	SIGMAR1	43	46
COc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852039375	FF	On-Demand	Anodyne	AMY2	46	32
COc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852039378	FF	On-Demand	Anodyne	AMY2	46	32
COC(=O)[C@@]1(C(F)(F)F)CCN(CCCC2CCC2)C1	ZINC000852039396	CF	On-Demand	Anodyne	EBP	21	48
COC(=O)[C@@]1(C(F)(F)F)CCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852039425	EH	On-Demand	Anodyne	SIGMAR1	20	53
COC(=O)[C@@]1(C(F)(F)F)CCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852039425	EH	On-Demand	Anodyne	EBP	37	53
COC(=O)[C@@]1(C(F)(F)F)CCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852039426	EH	On-Demand	Anodyne	SIGMAR1	20	53
COC(=O)[C@@]1(C(F)(F)F)CCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852039426	EH	On-Demand	Anodyne	EBP	37	53
Cc1ccccc1[C@H](O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039438	FE	On-Demand	Anodyne	CHRM3	33	42
Cc1ccccc1[C@H](O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039438	FE	On-Demand	Anodyne	AMY2	52	31
Cc1ccccc1[C@H](O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039438	FE	On-Demand	Anodyne	CYP2J2	49	35
Cc1ccccc1[C@H](O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039439	FE	On-Demand	Anodyne	CHRM3	33	42
Cc1ccccc1[C@H](O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039439	FE	On-Demand	Anodyne	AMY2	52	31
Cc1ccccc1[C@H](O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039439	FE	On-Demand	Anodyne	CYP2J2	49	35
Cc1ccccc1[C@@H](O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039440	FE	On-Demand	Anodyne	CHRM3	33	42
Cc1ccccc1[C@@H](O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039440	FE	On-Demand	Anodyne	AMY2	52	31
Cc1ccccc1[C@@H](O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039440	FE	On-Demand	Anodyne	CYP2J2	49	35
Cc1ccccc1[C@@H](O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039441	FE	On-Demand	Anodyne	CHRM3	33	42
Cc1ccccc1[C@@H](O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039441	FE	On-Demand	Anodyne	AMY2	52	31
Cc1ccccc1[C@@H](O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852039441	FE	On-Demand	Anodyne	CYP2J2	49	35
CN(Cc1ccc(OCC(F)(F)F)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852039471	GE	On-Demand	Anodyne	LTA4H	37	40
CN(Cc1ccc(OCC(F)(F)F)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852039472	GE	On-Demand	Anodyne	LTA4H	37	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOc4c(OC)cccc43)C2)cc1	ZINC000852039479	GG	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOc4c(OC)cccc43)C2)cc1	ZINC000852039480	GG	On-Demand	Clean	MTNR1B	15	43
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852039534	FF	On-Demand	Anodyne	CCR3	48	34
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852039534	FF	On-Demand	Anodyne	BIRC2	29	41
COC(=O)N1CCC[C@H](NC(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852039543	FF	On-Demand	Anodyne	CCR3	48	34
COC(=O)N1CCC[C@H](NC(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852039543	FF	On-Demand	Anodyne	BIRC2	29	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852039545	FF	On-Demand	Anodyne	CCR3	48	34
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852039545	FF	On-Demand	Anodyne	BIRC2	29	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852039547	FF	On-Demand	Anodyne	CCR3	48	34
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852039547	FF	On-Demand	Anodyne	BIRC2	29	41
Oc1ccc2c(c1)OCCN(CC(F)(F)Br)C2	ZINC000852039571	DF	On-Demand	Anodyne	DRD5	17	45
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	CHRM1	17	51
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	FKBP1A	45	42
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	SLC6A3	16	41
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	CYSLTR2	59	33
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	PREP	57	41
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	FAAH	53	37
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	CES1	57	37
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	NAAA	29	42
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	BIRC2	40	39
CO[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039615	EG	On-Demand	Anodyne	CES1D	46	33
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	CHRM1	17	51
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	FKBP1A	45	42
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	SLC6A3	16	41
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	CYSLTR2	59	33
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	PREP	57	41
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	FAAH	53	37
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	CES1	57	37
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	NAAA	29	42
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	BIRC2	40	39
CO[C@@H]1CC[C@@H](N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1	ZINC000852039617	EG	On-Demand	Anodyne	CES1D	46	33
CCc1ccc(N2CCN(CCc3cnn[nH]3)CC2)cc1Cl	ZINC000852039632	DE	On-Demand	Anodyne	HTR1A	23	42
CCc1ccc(N2CCN(CCc3cnn[nH]3)CC2)cc1Cl	ZINC000852039632	DE	On-Demand	Anodyne	DRD4	20	40
CCc1ccc(N2CCN(CCc3cnn[nH]3)CC2)cc1Cl	ZINC000852039632	DE	On-Demand	Anodyne	HTR7	25	41
CCc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1C=CCC1	ZINC000852039702	CG	On-Demand	Anodyne	LUXR	48	35
CCc1cccc2c1OCC[C@H]2NC(=O)N[C@H]1C=CCC1	ZINC000852039702	CG	On-Demand	Anodyne	TRAR	48	37
CCc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H]1C=CCC1	ZINC000852039703	CG	On-Demand	Anodyne	LUXR	48	35
CCc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H]1C=CCC1	ZINC000852039703	CG	On-Demand	Anodyne	TRAR	48	37
CCc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1C=CCC1	ZINC000852039704	CG	On-Demand	Anodyne	LUXR	48	35
CCc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1C=CCC1	ZINC000852039704	CG	On-Demand	Anodyne	TRAR	48	37
CCc1cccc2c1OCC[C@@H]2NC(=O)N[C@H]1C=CCC1	ZINC000852039705	CG	On-Demand	Anodyne	LUXR	48	35
CCc1cccc2c1OCC[C@@H]2NC(=O)N[C@H]1C=CCC1	ZINC000852039705	CG	On-Demand	Anodyne	TRAR	48	37
CN(CCN1CCN(Cc2ccccc2)CC1)Cc1cccc(F)n1	ZINC000852039775	EE	On-Demand	Anodyne	DRD4	43	38
CN(CCN1CCN(Cc2ccccc2)CC1)Cc1cccc(F)n1	ZINC000852039775	EE	On-Demand	Anodyne	SIGMAR1	84	46
CS(=O)(=O)NCC1CCN(CCn2cnc(Br)n2)CC1	ZINC000852039785	FC	On-Demand	Anodyne	HTR4	29	41
COC(=O)[C@@]1(C(F)(F)F)CCN([C@@H](C#N)c2ccccc2)C1	ZINC000852039830	DF	On-Demand	Mild	PTAFR	38	42
COC(=O)[C@@]1(C(F)(F)F)CCN([C@H](C#N)c2ccccc2)C1	ZINC000852039833	DF	On-Demand	Mild	PTAFR	38	42
CN(C[C@@H](O)c1ccccn1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852039873	CD	On-Demand	Anodyne	CHRM1	15	40
CN(C[C@@H](O)c1ccccn1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852039873	CD	On-Demand	Anodyne	GLRA1	43	36
Oc1ccc2c(c1)OCCN(CCOC(F)F)C2	ZINC000852039879	CD	On-Demand	Anodyne	DRD5	16	44
O=C(CC(F)(F)F)NC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852039921	GE	On-Demand	Anodyne	CHRM4	18	42
O=C1CCC2=C(CCN(C(=O)NCc3cccc(OCC(F)F)c3)C2)N1	ZINC000852039922	FE	On-Demand	Anodyne	PDS	62	36
O=C(CC(F)(F)F)NC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852039923	GE	On-Demand	Anodyne	CHRM4	18	42
O=S1(=O)N=C(CN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c2ccccc21	ZINC000852039925	GF	On-Demand	Anodyne	SIGMAR1	34	42
O=S1(=O)N=C(CN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c2ccccc21	ZINC000852039928	GF	On-Demand	Anodyne	SIGMAR1	34	42
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	CHRM1	15	40
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	DRD2	15	41
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	FKBP1A	42	39
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	DRD4	19	41
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	SLC6A1	146	41
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	SLC6A3	36	52
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	LTA4H	27	45
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	CYSLTR2	61	33
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	HTR7	23	41
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	SIGMAR1	42	52
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	CCR3	21	41
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	PREP	58	41
O=C(CCCc1ccccc1)N[C@H]1CCCN(CCOC(F)F)C1	ZINC000852039944	EF	On-Demand	Anodyne	BIRC2	49	49
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	CHRM1	15	40
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	DRD2	15	41
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	FKBP1A	42	39
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	DRD4	19	41
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	SLC6A1	146	41
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	SLC6A3	36	52
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	LTA4H	27	45
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	CYSLTR2	61	33
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	HTR7	23	41
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	SIGMAR1	42	52
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	CCR3	21	41
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	PREP	58	41
O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852039946	EF	On-Demand	Anodyne	BIRC2	49	49
O=C(NCc1cccc(OCC(F)F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852039950	FE	On-Demand	Anodyne	PDS	59	35
O=C(NCc1cccc(OCC(F)F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852039952	FE	On-Demand	Anodyne	PDS	59	35
CCC(C)(C)[C@@H](C)NC(=O)N[C@H]1CCCN(C(=O)OC)C1	ZINC000852039984	CE	On-Demand	Anodyne	BIRC2	23	41
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H]1CCCN(C(=O)OC)C1	ZINC000852039989	CE	On-Demand	Anodyne	BIRC2	23	41
NC(=O)[C@@](O)(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040010	GD	On-Demand	Anodyne	CHRM2	21	49
NC(=O)[C@@](O)(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040010	GD	On-Demand	Anodyne	CHRM3	26	41
NC(=O)[C@@](O)(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040010	GD	On-Demand	Anodyne	SIGMAR1	44	41
NC(=O)[C@@](O)(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040010	GD	On-Demand	Anodyne	NPFFR1	46	39
NC(=O)[C@](O)(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040011	GD	On-Demand	Anodyne	CHRM2	21	49
NC(=O)[C@](O)(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040011	GD	On-Demand	Anodyne	CHRM3	26	41
NC(=O)[C@](O)(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040011	GD	On-Demand	Anodyne	SIGMAR1	44	41
NC(=O)[C@](O)(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040011	GD	On-Demand	Anodyne	NPFFR1	46	39
NC(=O)[C@](O)(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040012	GD	On-Demand	Anodyne	CHRM2	21	49
NC(=O)[C@](O)(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040012	GD	On-Demand	Anodyne	CHRM3	26	41
NC(=O)[C@](O)(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040012	GD	On-Demand	Anodyne	SIGMAR1	44	41
NC(=O)[C@](O)(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040012	GD	On-Demand	Anodyne	NPFFR1	46	39
NC(=O)[C@@](O)(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040014	GD	On-Demand	Anodyne	CHRM2	21	49
NC(=O)[C@@](O)(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040014	GD	On-Demand	Anodyne	CHRM3	26	41
NC(=O)[C@@](O)(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040014	GD	On-Demand	Anodyne	SIGMAR1	44	41
NC(=O)[C@@](O)(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccc1	ZINC000852040014	GD	On-Demand	Anodyne	NPFFR1	46	39
O[C@@H](CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccn1	ZINC000852040021	EF	On-Demand	Anodyne	SIGMAR1	25	40
O[C@H](CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)c1ccccn1	ZINC000852040023	EF	On-Demand	Anodyne	SIGMAR1	25	40
O[C@H](CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccn1	ZINC000852040024	EF	On-Demand	Anodyne	SIGMAR1	25	40
O[C@@H](CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccccn1	ZINC000852040026	EF	On-Demand	Anodyne	SIGMAR1	25	40
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040040	FG	On-Demand	Anodyne	DRD4	21	41
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040040	FG	On-Demand	Anodyne	SLC6A1	52	33
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040040	FG	On-Demand	Anodyne	SIGMAR1	26	41
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040040	FG	On-Demand	Anodyne	CCR3	34	46
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040040	FG	On-Demand	Anodyne	PREP	52	39
O=C(CCCc1ccccc1)N[C@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040040	FG	On-Demand	Anodyne	BIRC2	39	42
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040041	FG	On-Demand	Anodyne	DRD4	21	41
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040041	FG	On-Demand	Anodyne	SLC6A1	52	33
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040041	FG	On-Demand	Anodyne	SIGMAR1	26	41
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040041	FG	On-Demand	Anodyne	CCR3	34	46
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040041	FG	On-Demand	Anodyne	PREP	52	39
O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852040041	FG	On-Demand	Anodyne	BIRC2	39	42
CCC(CC)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000852040086	GH	On-Demand	Anodyne	EPHX2	37	46
CCC(CC)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000852040086	GH	On-Demand	Anodyne	CACNA1G	36	42
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCCOC1	ZINC000852040117	CC	On-Demand	Anodyne	AMY2	48	34
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCCOC1	ZINC000852040119	CC	On-Demand	Anodyne	AMY2	48	34
COC(=O)[C@@]1(C(F)(F)F)CCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852040206	CD	On-Demand	Anodyne	SLC18A3	30	40
O=C(NCC(=O)N1CCc2ccccc21)NCC1SCCS1	ZINC000852040208	ED	On-Demand	Anodyne	AVPR2	26	40
O[C@H](CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040224	FE	On-Demand	Anodyne	DRD4	32	40
O[C@H](CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040224	FE	On-Demand	Anodyne	SIGMAR1	34	40
O[C@H](CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040224	FE	On-Demand	Anodyne	SLC18A3	26	41
O[C@@H](CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040227	FE	On-Demand	Anodyne	DRD4	32	40
O[C@@H](CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040227	FE	On-Demand	Anodyne	SIGMAR1	34	40
O[C@@H](CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040227	FE	On-Demand	Anodyne	SLC18A3	26	41
O[C@H](CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040229	FE	On-Demand	Anodyne	DRD4	32	40
O[C@H](CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040229	FE	On-Demand	Anodyne	SIGMAR1	34	40
O[C@H](CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040229	FE	On-Demand	Anodyne	SLC18A3	26	41
O[C@@H](CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040231	FE	On-Demand	Anodyne	DRD4	32	40
O[C@@H](CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040231	FE	On-Demand	Anodyne	SIGMAR1	34	40
O[C@@H](CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)c1ccccn1	ZINC000852040231	FE	On-Demand	Anodyne	SLC18A3	26	41
Cc1ccccc1[C@H](O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852040238	EH	On-Demand	Anodyne	SLC6A1	38	47
Cc1ccccc1[C@H](O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852040238	EH	On-Demand	Anodyne	HRH1	17	48
Cc1ccccc1[C@H](O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852040238	EH	On-Demand	Anodyne	SIGMAR1	34	43
Cc1ccccc1[C@@H](O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852040240	EH	On-Demand	Anodyne	SLC6A1	38	47
Cc1ccccc1[C@@H](O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852040240	EH	On-Demand	Anodyne	HRH1	17	48
Cc1ccccc1[C@@H](O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852040240	EH	On-Demand	Anodyne	SIGMAR1	34	43
NC(=O)[C@@](O)(CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040243	GD	On-Demand	Anodyne	CHRM2	19	58
NC(=O)[C@@](O)(CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040243	GD	On-Demand	Anodyne	CHRM1	17	58
NC(=O)[C@@](O)(CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040243	GD	On-Demand	Anodyne	CHRM4	25	58
NC(=O)[C@@](O)(CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040243	GD	On-Demand	Anodyne	CHRM3	30	58
NC(=O)[C@](O)(CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040245	GD	On-Demand	Anodyne	CHRM2	19	58
NC(=O)[C@](O)(CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040245	GD	On-Demand	Anodyne	CHRM1	17	58
NC(=O)[C@](O)(CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040245	GD	On-Demand	Anodyne	CHRM4	25	58
NC(=O)[C@](O)(CN1CCC[C@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040245	GD	On-Demand	Anodyne	CHRM3	30	58
NC(=O)[C@](O)(CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040246	GD	On-Demand	Anodyne	CHRM2	19	58
NC(=O)[C@](O)(CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040246	GD	On-Demand	Anodyne	CHRM1	17	58
NC(=O)[C@](O)(CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040246	GD	On-Demand	Anodyne	CHRM4	25	58
NC(=O)[C@](O)(CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040246	GD	On-Demand	Anodyne	CHRM3	30	58
NC(=O)[C@@](O)(CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040248	GD	On-Demand	Anodyne	CHRM2	19	58
NC(=O)[C@@](O)(CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040248	GD	On-Demand	Anodyne	CHRM1	17	58
NC(=O)[C@@](O)(CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040248	GD	On-Demand	Anodyne	CHRM4	25	58
NC(=O)[C@@](O)(CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1)c1ccccc1	ZINC000852040248	GD	On-Demand	Anodyne	CHRM3	30	58
Cc1ccccc1[C@H](O)C1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852040251	DI	On-Demand	Mild	PTAFR	38	40
Cc1ccccc1[C@H](O)C1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852040253	DI	On-Demand	Mild	PTAFR	38	40
Cc1ccccc1[C@@H](O)C1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852040255	DI	On-Demand	Mild	PTAFR	38	40
Cc1ccccc1[C@@H](O)C1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852040257	DI	On-Demand	Mild	PTAFR	38	40
COC(=O)N1CCC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852040303	FD	On-Demand	Anodyne	SCN2A	17	41
COC(=O)N1CCC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852040303	FD	On-Demand	Anodyne	EPHX2	20	42
COC(=O)N1CCC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852040303	FD	On-Demand	Anodyne	SCN10A	18	41
COC(=O)N1CCC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852040303	FD	On-Demand	Anodyne	BIRC2	32	41
COC(=O)N1CCC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852040304	FD	On-Demand	Anodyne	SCN2A	17	41
COC(=O)N1CCC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852040304	FD	On-Demand	Anodyne	EPHX2	20	42
COC(=O)N1CCC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852040304	FD	On-Demand	Anodyne	SCN10A	18	41
COC(=O)N1CCC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852040304	FD	On-Demand	Anodyne	BIRC2	32	41
C[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C(=O)N1CCCC[C@H]1C	ZINC000852040317	GD	On-Demand	Anodyne	CELA1	40	38
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852040320	GD	On-Demand	Anodyne	CELA1	40	38
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852040324	DC	On-Demand	Anodyne	CHRM2	29	50
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852040324	DC	On-Demand	Anodyne	CHRM1	38	50
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852040324	DC	On-Demand	Anodyne	SLC6A3	29	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852040324	DC	On-Demand	Anodyne	CHRM4	35	42
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852040324	DC	On-Demand	Anodyne	CHRM5	32	42
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852040324	DC	On-Demand	Anodyne	CHRM3	40	57
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852040324	DC	On-Demand	Anodyne	AMY2	57	34
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C	ZINC000852040324	DC	On-Demand	Anodyne	GLRA1	47	36
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(Cl)nc2)[C@H](C#N)C1	ZINC000852040334	GE	On-Demand	Mild	GPR119	40	43
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(Cl)nc2)[C@@H](C#N)C1	ZINC000852040335	GE	On-Demand	Mild	GPR119	40	43
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc(OCC(F)F)c2)O1	ZINC000852040364	GC	On-Demand	Reactive	PDS	73	38
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc(OCC(F)F)c2)O1	ZINC000852040366	GC	On-Demand	Reactive	PDS	73	38
CC(C)(C)OC(=O)N1CCN(CCc2ccc(C#N)cc2)[C@@H](C#N)C1	ZINC000852040380	EF	On-Demand	Mild	GPR119	37	53
CC(C)(C)OC(=O)N1CCN(CCc2ccc(C#N)cc2)[C@@H](C#N)C1	ZINC000852040380	EF	On-Demand	Mild	KCNJ1	17	41
CC(C)(C)OC(=O)N1CCN(CCc2ccc(C#N)cc2)[C@H](C#N)C1	ZINC000852040381	EF	On-Demand	Mild	GPR119	37	53
CC(C)(C)OC(=O)N1CCN(CCc2ccc(C#N)cc2)[C@H](C#N)C1	ZINC000852040381	EF	On-Demand	Mild	KCNJ1	17	41
O=C(NCCC1SCCS1)NCc1cccc(OCC(F)F)c1	ZINC000852040397	FG	On-Demand	Anodyne	HRH2	23	42
O=C(NCCC1SCCS1)NCc1cccc(OCC(F)F)c1	ZINC000852040397	FG	On-Demand	Anodyne	PDS	80	39
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040431	GD	On-Demand	Anodyne	CHRM2	20	41
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040431	GD	On-Demand	Anodyne	CHRM1	15	41
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040431	GD	On-Demand	Anodyne	DRD4	37	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040431	GD	On-Demand	Anodyne	ACHE	35	45
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040431	GD	On-Demand	Anodyne	CHRM3	26	41
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040431	GD	On-Demand	Anodyne	SIGMAR1	69	43
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040431	GD	On-Demand	Anodyne	CACNA1G	32	42
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040431	GD	On-Demand	Anodyne	CYP2J2	46	33
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040432	GD	On-Demand	Anodyne	CHRM2	20	41
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040432	GD	On-Demand	Anodyne	CHRM1	15	41
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040432	GD	On-Demand	Anodyne	DRD4	37	40
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040432	GD	On-Demand	Anodyne	ACHE	35	45
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040432	GD	On-Demand	Anodyne	CHRM3	26	41
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040432	GD	On-Demand	Anodyne	SIGMAR1	69	43
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040432	GD	On-Demand	Anodyne	CACNA1G	32	42
CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040432	GD	On-Demand	Anodyne	CYP2J2	46	33
O=C(NCc1ccc(F)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852040437	EE	On-Demand	Anodyne	NPSR1	26	41
O=C(NCc1ccc(F)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852040438	EE	On-Demand	Anodyne	NPSR1	26	41
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1	ZINC000852040458	GD	On-Demand	Anodyne	MMP13	29	43
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1	ZINC000852040458	GD	On-Demand	Anodyne	ADAM17	17	43
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1	ZINC000852040458	GD	On-Demand	Anodyne	MMP9	21	40
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1	ZINC000852040459	GD	On-Demand	Anodyne	MMP13	29	43
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1	ZINC000852040459	GD	On-Demand	Anodyne	ADAM17	17	43
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1	ZINC000852040459	GD	On-Demand	Anodyne	MMP9	21	40
CCc1cccc2c1OCC[C@H]2NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852040463	FE	On-Demand	Anodyne	BIRC3	43	31
CCc1cccc2c1OCC[C@H]2NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852040464	FE	On-Demand	Anodyne	BIRC3	43	31
CCc1cccc2c1OCC[C@@H]2NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852040465	FE	On-Demand	Anodyne	BIRC3	43	31
CCc1cccc2c1OCC[C@@H]2NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852040466	FE	On-Demand	Anodyne	BIRC3	43	31
CCc1cccc2c1OCC[C@@H]2NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852040472	FF	On-Demand	Anodyne	TRAR	49	32
CCc1cccc2c1OCC[C@H]2NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852040473	FF	On-Demand	Anodyne	TRAR	49	32
CCc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852040480	GD	On-Demand	Reactive	XIAP	15	40
CCc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852040480	GD	On-Demand	Reactive	BIRC3	41	38
CCc1cccc2c1OCC[C@H]2NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852040480	GD	On-Demand	Reactive	BIRC2	16	40
CCc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852040481	GD	On-Demand	Reactive	XIAP	15	40
CCc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852040481	GD	On-Demand	Reactive	BIRC3	41	38
CCc1cccc2c1OCC[C@@H]2NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852040481	GD	On-Demand	Reactive	BIRC2	16	40
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1ccc(F)c(Cl)c1	ZINC000852040491	GE	On-Demand	Anodyne	TRPV1	17	45
CCCN(CCN1CCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040508	DD	On-Demand	Anodyne	CHRM2	17	44
CCCN(CCN1CCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040508	DD	On-Demand	Anodyne	CHRM1	21	44
CCCN(CCN1CCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040508	DD	On-Demand	Anodyne	CHRM3	29	44
CCCN(CCN1CCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040508	DD	On-Demand	Anodyne	AMY2	57	34
CCCN(CCN1CCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040508	DD	On-Demand	Anodyne	CYP2J2	48	34
CCCN(CCN1CCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040509	DD	On-Demand	Anodyne	CHRM2	17	44
CCCN(CCN1CCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040509	DD	On-Demand	Anodyne	CHRM1	21	44
CCCN(CCN1CCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040509	DD	On-Demand	Anodyne	CHRM3	29	44
CCCN(CCN1CCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040509	DD	On-Demand	Anodyne	AMY2	57	34
CCCN(CCN1CCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040509	DD	On-Demand	Anodyne	CYP2J2	48	34
Cc1ccccc1[C@@H](O)C1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852040522	FG	On-Demand	Anodyne	DRD4	15	46
Cc1ccccc1[C@H](O)C1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852040524	FG	On-Demand	Anodyne	DRD4	15	46
C#CCOCCN1CCOc2cc(O)ccc2C1	ZINC000852040529	BD	On-Demand	Mild	DRD5	16	43
CCCN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040532	ED	On-Demand	Anodyne	CHRM2	18	46
CCCN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040532	ED	On-Demand	Anodyne	CHRM1	21	46
CCCN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040532	ED	On-Demand	Anodyne	DRD3	15	46
CCCN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040532	ED	On-Demand	Anodyne	CHRM4	20	40
CCCN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040532	ED	On-Demand	Anodyne	CHRM3	29	46
CCCN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040532	ED	On-Demand	Anodyne	SIGMAR1	16	41
CCCN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040532	ED	On-Demand	Anodyne	AMY2	59	35
CCCN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852040532	ED	On-Demand	Anodyne	CYP2J2	40	34
CCCN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040533	ED	On-Demand	Anodyne	CHRM2	18	46
CCCN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040533	ED	On-Demand	Anodyne	CHRM1	21	46
CCCN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040533	ED	On-Demand	Anodyne	DRD3	15	46
CCCN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040533	ED	On-Demand	Anodyne	CHRM4	20	40
CCCN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040533	ED	On-Demand	Anodyne	CHRM3	29	46
CCCN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040533	ED	On-Demand	Anodyne	SIGMAR1	16	41
CCCN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040533	ED	On-Demand	Anodyne	AMY2	59	35
CCCN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852040533	ED	On-Demand	Anodyne	CYP2J2	40	34
CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C#N)C1	ZINC000852040534	GH	On-Demand	Mild	GPR119	30	43
CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C#N)C1	ZINC000852040535	GH	On-Demand	Mild	GPR119	30	43
O=C(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)Nc1ccc(Cl)nc1	ZINC000852040536	GG	On-Demand	Anodyne	FAAH	16	45
O=C(CN1CC[C@]2(CCN(Cc3ccccc3)C2)C1)Nc1ccc(Cl)nc1	ZINC000852040536	GG	On-Demand	Anodyne	NPFFR1	42	39
O=C(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)Nc1ccc(Cl)nc1	ZINC000852040537	GG	On-Demand	Anodyne	FAAH	16	45
O=C(CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)Nc1ccc(Cl)nc1	ZINC000852040537	GG	On-Demand	Anodyne	NPFFR1	42	39
O=C(NCc1cccc(OCC(F)F)c1)N[C@H]1COC2(CCC2)C1	ZINC000852040552	EF	On-Demand	Anodyne	PDS	73	38
O=C(NCc1cccc(OCC(F)F)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852040554	EF	On-Demand	Anodyne	PDS	73	38
O=C(NCC(=O)N1CCc2ccccc21)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852040564	GE	On-Demand	Anodyne	AVPR2	18	41
O=C(NCC(=O)N1CCc2ccccc21)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852040567	GE	On-Demand	Anodyne	AVPR2	18	41
CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)n2)[C@H](C#N)C1	ZINC000852040571	DE	On-Demand	Mild	GPR119	36	41
CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)n2)[C@@H](C#N)C1	ZINC000852040574	DE	On-Demand	Mild	GPR119	36	41
CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C#N)C1	ZINC000852040585	FF	On-Demand	Mild	GPR119	30	43
CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C#N)C1	ZINC000852040602	FF	On-Demand	Mild	GPR119	30	43
CCCN(CCN1CCCCC1)C[C@H](O)c1ccccn1	ZINC000852040603	CE	On-Demand	Anodyne	HNMT	35	42
CCCN(CCN1CCCCC1)C[C@@H](O)c1ccccn1	ZINC000852040604	CE	On-Demand	Anodyne	HNMT	35	42
COC(=O)N1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852040614	FG	On-Demand	Anodyne	CACNA1H	15	42
COC(=O)N1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852040614	FG	On-Demand	Anodyne	EPHX2	20	41
COC(=O)N1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852040614	FG	On-Demand	Anodyne	CACNA1I	54	34
COC(=O)N1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852040616	FG	On-Demand	Anodyne	CACNA1H	15	42
COC(=O)N1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852040616	FG	On-Demand	Anodyne	EPHX2	20	41
COC(=O)N1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852040616	FG	On-Demand	Anodyne	CACNA1I	54	34
c1ccc(CN2CC[C@]3(CCN(Cc4cnon4)C3)C2)cc1	ZINC000852040624	CE	On-Demand	Anodyne	SIGMAR1	43	44
c1ccc(CN2CC[C@@]3(CCN(Cc4cnon4)C3)C2)cc1	ZINC000852040626	CE	On-Demand	Anodyne	SIGMAR1	43	44
O[C@H](CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccn1	ZINC000852040636	DH	On-Demand	Anodyne	GRIN2B	36	41
FC(F)OCCN1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000852040637	DF	On-Demand	Anodyne	SLC6A3	38	43
FC(F)OCCN1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000852040637	DF	On-Demand	Anodyne	SIGMAR1	57	45
O[C@@H](CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccn1	ZINC000852040638	DH	On-Demand	Anodyne	GRIN2B	36	41
FC(F)OCCN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000852040639	DF	On-Demand	Anodyne	SLC6A3	38	43
FC(F)OCCN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000852040639	DF	On-Demand	Anodyne	SIGMAR1	57	45
Oc1ccc2c(c1)OCCN(CC=C(Cl)Cl)C2	ZINC000852040643	CF	On-Demand	Anodyne	DRD5	17	45
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc(OCC(F)F)c1	ZINC000852040684	GE	On-Demand	Anodyne	PDS	86	43
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc(OCC(F)F)c1	ZINC000852040685	GE	On-Demand	Anodyne	PDS	86	43
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852040690	GE	On-Demand	Anodyne	CELA1	41	39
O=C1CC[C@@H](CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)O1	ZINC000852040699	ED	On-Demand	Anodyne	SIGMAR1	51	53
O=C1CC[C@@H](CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)O1	ZINC000852040699	ED	On-Demand	Anodyne	SLC18A3	25	42
O=C1CC[C@@H](CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)O1	ZINC000852040700	ED	On-Demand	Anodyne	SIGMAR1	51	53
O=C1CC[C@@H](CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)O1	ZINC000852040700	ED	On-Demand	Anodyne	SLC18A3	25	42
O=C1CC[C@H](CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)O1	ZINC000852040701	ED	On-Demand	Anodyne	SIGMAR1	51	53
O=C1CC[C@H](CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)O1	ZINC000852040701	ED	On-Demand	Anodyne	SLC18A3	25	42
O=C1CC[C@H](CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)O1	ZINC000852040702	ED	On-Demand	Anodyne	SIGMAR1	51	53
O=C1CC[C@H](CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)O1	ZINC000852040702	ED	On-Demand	Anodyne	SLC18A3	25	42
CCc1cccc2c1OCC[C@@H]2NC(=O)NCc1ncccn1	ZINC000852040707	DE	On-Demand	Anodyne	TRAR	45	31
CCc1cccc2c1OCC[C@H]2NC(=O)NCc1ncccn1	ZINC000852040708	DE	On-Demand	Anodyne	TRAR	45	31
CN(CCOC(F)F)CCN1CCN(Cc2ccccc2)CC1	ZINC000852040718	ED	On-Demand	Anodyne	DRD2	21	40
CN(CCOC(F)F)CCN1CCN(Cc2ccccc2)CC1	ZINC000852040718	ED	On-Demand	Anodyne	SLC6A4	22	44
CN(CCOC(F)F)CCN1CCN(Cc2ccccc2)CC1	ZINC000852040718	ED	On-Demand	Anodyne	SLC6A3	55	44
CN(CCOC(F)F)CCN1CCN(Cc2ccccc2)CC1	ZINC000852040718	ED	On-Demand	Anodyne	HRH3	16	44
CN(CCOC(F)F)CCN1CCN(Cc2ccccc2)CC1	ZINC000852040718	ED	On-Demand	Anodyne	SIGMAR1	85	50
CN(CCN1CCN(Cc2ccccc2)CC1)Cc1cnon1	ZINC000852040737	DD	On-Demand	Anodyne	SIGMAR1	75	44
COc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@H]1CCC(=O)O1	ZINC000852040802	DG	On-Demand	Anodyne	HCRTR2	15	40
C#C[C@H](NC(=O)NCc1cccc(OCC(F)F)c1)C1CCOCC1	ZINC000852040818	FF	On-Demand	Mild	PDS	66	36
C#C[C@@H](NC(=O)NCc1cccc(OCC(F)F)c1)C1CCOCC1	ZINC000852040819	FF	On-Demand	Mild	PDS	66	36
O=C(NCc1cccc(OCC(F)F)c1)NCc1ncccn1	ZINC000852040833	DE	On-Demand	Anodyne	HRH2	19	40
O=C(NCc1cccc(OCC(F)F)c1)NCc1ncccn1	ZINC000852040833	DE	On-Demand	Anodyne	ROCK1	18	40
O=C(NCc1cccc(OCC(F)F)c1)NCc1ncccn1	ZINC000852040833	DE	On-Demand	Anodyne	ROCK2	25	42
O=C(NCc1cccc(OCC(F)F)c1)NCc1ncccn1	ZINC000852040833	DE	On-Demand	Anodyne	PDS	100	44
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1	ZINC000852040836	FG	On-Demand	Anodyne	CACNA1I	56	38
COCCN(CCF)C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1	ZINC000852040837	FG	On-Demand	Anodyne	CACNA1I	56	38
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2OC(F)F)[C@@H](C#N)C1	ZINC000852040841	GG	On-Demand	Mild	GPR119	26	45
CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2OC(F)F)[C@H](C#N)C1	ZINC000852040842	GG	On-Demand	Mild	GPR119	26	45
CC(C)(C)OC(=O)N1CCN(Cc2coc(S(N)(=O)=O)c2)[C@H](C#N)C1	ZINC000852040845	FC	On-Demand	Mild	GPR119	33	40
CC(C)(C)OC(=O)N1CCN(Cc2coc(S(N)(=O)=O)c2)[C@@H](C#N)C1	ZINC000852040846	FC	On-Demand	Mild	GPR119	33	40
O=C(NCc1cccc(OCC(F)F)c1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852040863	GF	On-Demand	Anodyne	PDS	73	37
C[C@@H](NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C	ZINC000852040899	GF	On-Demand	Anodyne	CELA1	42	41
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852040901	GF	On-Demand	Anodyne	CELA1	42	41
Fc1cccc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040965	FF	On-Demand	Anodyne	DRD2	17	42
Fc1cccc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040965	FF	On-Demand	Anodyne	DRD4	45	42
Fc1cccc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040965	FF	On-Demand	Anodyne	ACHE	32	43
Fc1cccc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040965	FF	On-Demand	Anodyne	SIGMAR1	58	43
Fc1cccc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040965	FF	On-Demand	Anodyne	SLC18A3	26	41
Fc1cccc(CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040965	FF	On-Demand	Anodyne	SCN5A	43	37
Fc1cccc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040966	FF	On-Demand	Anodyne	DRD2	17	42
Fc1cccc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040966	FF	On-Demand	Anodyne	DRD4	45	42
Fc1cccc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040966	FF	On-Demand	Anodyne	ACHE	32	43
Fc1cccc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040966	FF	On-Demand	Anodyne	SIGMAR1	58	43
Fc1cccc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040966	FF	On-Demand	Anodyne	SLC18A3	26	41
Fc1cccc(CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1	ZINC000852040966	FF	On-Demand	Anodyne	SCN5A	43	37
COc1ccccc1[C@H]1CCC[C@@H](C)N1C[C@@H]1CCC(=O)O1	ZINC000852041003	DG	On-Demand	Anodyne	HCRTR2	15	40
NC(=O)[C@](O)(CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1	ZINC000852041045	GF	On-Demand	Anodyne	PDS	41	33
NC(=O)[C@@](O)(CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1	ZINC000852041046	GF	On-Demand	Anodyne	PDS	41	33
NC(=O)[C@](O)(CN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1	ZINC000852041047	GF	On-Demand	Anodyne	PDS	41	33
NC(=O)[C@@](O)(CN[C@H](c1cccc(OC(F)(F)F)c1)C1CC1)c1ccccc1	ZINC000852041048	GF	On-Demand	Anodyne	PDS	41	33
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1cc[nH]n1)c1ccccc1	ZINC000852041049	DD	On-Demand	Anodyne	CPT1A	84	38
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1cc[nH]n1)c1ccccc1	ZINC000852041049	DD	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1	ZINC000852041050	DD	On-Demand	Anodyne	CPT1A	84	38
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1	ZINC000852041050	DD	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CCCC[C@H]1c1cc[nH]n1)c1ccccc1	ZINC000852041051	DD	On-Demand	Anodyne	CPT1A	84	38
NC(=O)[C@](O)(CN1CCCC[C@H]1c1cc[nH]n1)c1ccccc1	ZINC000852041051	DD	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1	ZINC000852041052	DD	On-Demand	Anodyne	CPT1A	84	38
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1cc[nH]n1)c1ccccc1	ZINC000852041052	DD	On-Demand	Anodyne	AMY2	43	29
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccc(F)c(Cl)c2)O1	ZINC000852041053	FD	On-Demand	Reactive	P2RX7	48	39
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccc(F)c(Cl)c2)O1	ZINC000852041054	FD	On-Demand	Reactive	P2RX7	48	39
O=C(NCc1ccc(F)c(Cl)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852041077	FF	On-Demand	Anodyne	EPHX2	15	44
O=C1CC[C@H](CN2CCOc3cc(O)ccc3C2)O1	ZINC000852041085	CD	On-Demand	Anodyne	DRD2	21	57
O=C1CC[C@@H](CN2CCOc3cc(O)ccc3C2)O1	ZINC000852041087	CD	On-Demand	Anodyne	DRD2	21	57
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)[C@H](C#N)C1	ZINC000852041089	EC	On-Demand	Mild	GPR119	35	44
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)[C@@H](C#N)C1	ZINC000852041091	EC	On-Demand	Mild	GPR119	35	44
O=C1CC[C@H](CN2CCc3cc(Cl)ccc32)O1	ZINC000852041206	CE	On-Demand	Anodyne	SRD5A1	15	41
O=C1CC[C@@H](CN2CCc3cc(Cl)ccc32)O1	ZINC000852041207	CE	On-Demand	Anodyne	SRD5A1	15	41
NC(=O)[C@](O)(CN1CCOC[C@@H]1[C@H]1CCCO1)c1ccccc1	ZINC000852041227	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CCOC[C@H]1[C@H]1CCCO1)c1ccccc1	ZINC000852041228	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CCOC[C@@H]1[C@@H]1CCCO1)c1ccccc1	ZINC000852041229	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CCOC[C@H]1[C@@H]1CCCO1)c1ccccc1	ZINC000852041230	DC	On-Demand	Anodyne	CYP2J2	44	31
C#CCOCCN1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000852041327	CE	On-Demand	Mild	SIGMAR1	45	42
C#CCOCCN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000852041328	CE	On-Demand	Mild	SIGMAR1	45	42
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852041345	ED	On-Demand	Anodyne	EPHX2	16	42
COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852041346	ED	On-Demand	Anodyne	EPHX2	16	42
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852041347	ED	On-Demand	Anodyne	EPHX2	16	42
COC(=O)N1CCC[C@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852041348	ED	On-Demand	Anodyne	EPHX2	16	42
CC(C)(C)OC(=O)N1CCN(Cc2ncsc2Br)[C@@H](C#N)C1	ZINC000852041364	GF	On-Demand	Mild	GPR119	24	41
CC(C)(C)OC(=O)N1CCN(Cc2ncsc2Br)[C@H](C#N)C1	ZINC000852041365	GF	On-Demand	Mild	GPR119	24	41
O=C(NCc1cccc(OCC(F)F)c1)N[C@@H]1C=CCC1	ZINC000852041369	CF	On-Demand	Anodyne	PDS	92	42
O=C(NCc1cccc(OCC(F)F)c1)N[C@H]1C=CCC1	ZINC000852041370	CF	On-Demand	Anodyne	PDS	92	42
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCCC[C@@H]1C	ZINC000852041371	GF	On-Demand	Anodyne	ACE	38	44
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCCC[C@@H]1C	ZINC000852041371	GF	On-Demand	Anodyne	MME	17	44
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCCC[C@@H]1C	ZINC000852041371	GF	On-Demand	Anodyne	PREP	28	43
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCCC[C@@H]1C	ZINC000852041371	GF	On-Demand	Anodyne	TMPRSS11D	44	33
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCCC[C@H]1C	ZINC000852041373	GF	On-Demand	Anodyne	ACE	38	44
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCCC[C@H]1C	ZINC000852041373	GF	On-Demand	Anodyne	MME	17	44
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCCC[C@H]1C	ZINC000852041373	GF	On-Demand	Anodyne	PREP	28	43
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCCC[C@H]1C	ZINC000852041373	GF	On-Demand	Anodyne	TMPRSS11D	44	33
CNS(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1	ZINC000852041388	GD	On-Demand	Mild	TGM2	16	41
CNS(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1	ZINC000852041388	GD	On-Demand	Mild	F13A1	24	41
CNS(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1	ZINC000852041388	GD	On-Demand	Mild	GPR119	50	45
CNS(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1	ZINC000852041389	GD	On-Demand	Mild	TGM2	16	41
CNS(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1	ZINC000852041389	GD	On-Demand	Mild	F13A1	24	41
CNS(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1	ZINC000852041389	GD	On-Demand	Mild	GPR119	50	45
CC(C)(C)OC(=O)N1CCN(CCC2CCC2)[C@@H](C#N)C1	ZINC000852041416	CF	On-Demand	Mild	DPP4	17	40
CC(C)(C)OC(=O)N1CCN(CCC2CCC2)[C@H](C#N)C1	ZINC000852041417	CF	On-Demand	Mild	DPP4	17	40
FC(F)(Br)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041434	GF	On-Demand	Anodyne	DRD4	38	41
FC(F)(Br)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041434	GF	On-Demand	Anodyne	ACHE	34	43
FC(F)(Br)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041434	GF	On-Demand	Anodyne	SLC6A3	16	40
FC(F)(Br)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041434	GF	On-Demand	Anodyne	SIGMAR1	57	44
FC(F)(Br)CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041434	GF	On-Demand	Anodyne	SLC18A3	28	47
FC(F)(Br)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041435	GF	On-Demand	Anodyne	DRD4	38	41
FC(F)(Br)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041435	GF	On-Demand	Anodyne	ACHE	34	43
FC(F)(Br)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041435	GF	On-Demand	Anodyne	SLC6A3	16	40
FC(F)(Br)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041435	GF	On-Demand	Anodyne	SIGMAR1	57	44
FC(F)(Br)CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041435	GF	On-Demand	Anodyne	SLC18A3	28	47
COC(=O)N(C)CCNC(=O)NCc1cccc(OCC(F)F)c1	ZINC000852041553	ED	On-Demand	Anodyne	HRH2	23	40
COC(=O)N(C)CCNC(=O)NCc1cccc(OCC(F)F)c1	ZINC000852041553	ED	On-Demand	Anodyne	PDS	96	42
Brc1ncn(CCN2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1	ZINC000852041597	GF	On-Demand	Anodyne	SIGMAR1	37	43
Brc1ncn(CCN2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1	ZINC000852041598	GF	On-Demand	Anodyne	SIGMAR1	37	43
CC(C)(C)OC(=O)N1CCN(Cc2ccsc2)[C@H](C#N)C1	ZINC000852041619	DF	On-Demand	Mild	GPR119	34	42
CC(C)(C)OC(=O)N1CCN(Cc2ccsc2)[C@@H](C#N)C1	ZINC000852041620	DF	On-Demand	Mild	GPR119	34	42
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852041625	ED	On-Demand	Mild	CTSK	21	40
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852041625	ED	On-Demand	Mild	CTSL	15	40
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852041625	ED	On-Demand	Mild	LGMN	45	32
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852041625	ED	On-Demand	Mild	GPBAR1	35	42
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1	ZINC000852041634	GE	On-Demand	Anodyne	CACNA1I	58	35
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1	ZINC000852041635	GE	On-Demand	Anodyne	CACNA1I	58	35
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1ncccn1	ZINC000852041643	DD	On-Demand	Anodyne	ACE	33	42
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1ncccn1	ZINC000852041643	DD	On-Demand	Anodyne	PREP	20	41
O=C(NCc1cccc(OCC(F)F)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852041678	GE	On-Demand	Anodyne	PDS	60	36
CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2OC(F)F)[C@H](C#N)C1	ZINC000852041679	GG	On-Demand	Mild	GPR119	27	45
CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2OC(F)F)[C@@H](C#N)C1	ZINC000852041680	GG	On-Demand	Mild	GPR119	27	45
Cc1ccccc1[C@H](O)C1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852041726	DG	On-Demand	Anodyne	SLC18A3	91	56
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](CO)C2CCC2)C1	ZINC000852041727	CC	On-Demand	Anodyne	BIRC2	16	43
Cc1ccccc1[C@@H](O)C1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852041728	DG	On-Demand	Anodyne	SLC18A3	91	56
COC(=O)N1CCC[C@H](NC(=O)N[C@H](CO)C2CCC2)C1	ZINC000852041729	CC	On-Demand	Anodyne	BIRC2	16	43
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](CO)C2CCC2)C1	ZINC000852041731	CC	On-Demand	Anodyne	BIRC2	16	43
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](CO)C2CCC2)C1	ZINC000852041733	CC	On-Demand	Anodyne	BIRC2	16	43
COCCN(CCF)C(=O)NCc1cccc(OCC(F)F)c1	ZINC000852041753	EE	On-Demand	Anodyne	PDS	94	42
O=C(NCC(=O)N1CCc2ccccc21)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852041797	FD	On-Demand	Anodyne	AVPR2	20	42
COC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852041840	GD	On-Demand	Clean	EPHX2	21	43
COC(=O)N1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852041841	GD	On-Demand	Clean	EPHX2	21	43
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852041842	GD	On-Demand	Clean	EPHX2	21	43
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852041843	GD	On-Demand	Clean	EPHX2	21	43
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041890	FF	On-Demand	Anodyne	CHRM2	21	42
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041890	FF	On-Demand	Anodyne	CHRM1	23	42
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041890	FF	On-Demand	Anodyne	CHRM3	31	49
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041890	FF	On-Demand	Anodyne	GRIN2B	47	36
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041890	FF	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041891	FF	On-Demand	Anodyne	CHRM2	21	42
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041891	FF	On-Demand	Anodyne	CHRM1	23	42
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041891	FF	On-Demand	Anodyne	CHRM3	31	49
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041891	FF	On-Demand	Anodyne	GRIN2B	47	36
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2)c1ccccc1	ZINC000852041891	FF	On-Demand	Anodyne	CYP2J2	44	31
COC(=O)[C@@]1(C(F)(F)F)CCN(CCSc2cccc(OC)c2)C1	ZINC000852041905	FG	On-Demand	Anodyne	DRD4	44	34
COC(=O)[C@@]1(C(F)(F)F)CCN(CCSc2cccc(OC)c2)C1	ZINC000852041905	FG	On-Demand	Anodyne	MTNR1A	15	46
COC(=O)[C@@]1(C(F)(F)F)CCN(CCSc2cccc(OC)c2)C1	ZINC000852041905	FG	On-Demand	Anodyne	MTNR1B	17	46
Cc1nc(CN2CCC([C@H](O)c3ccccc3C)CC2)c(C)o1	ZINC000852041914	DH	On-Demand	Anodyne	PDE8B	43	33
Cc1nc(CN2CCC([C@@H](O)c3ccccc3C)CC2)c(C)o1	ZINC000852041915	DH	On-Demand	Anodyne	PDE8B	43	33
CNS(=O)(=O)c1ccc(CN2CCC([C@H](O)c3ccccc3C)CC2)cc1	ZINC000852041920	GF	On-Demand	Anodyne	SIGMAR1	36	43
CNS(=O)(=O)c1ccc(CN2CCC([C@@H](O)c3ccccc3C)CC2)cc1	ZINC000852041921	GF	On-Demand	Anodyne	SIGMAR1	36	43
FC(F)OCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041940	EE	On-Demand	Anodyne	ACHE	25	40
FC(F)OCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041940	EE	On-Demand	Anodyne	SLC6A4	26	48
FC(F)OCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041940	EE	On-Demand	Anodyne	SLC6A3	71	49
FC(F)OCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041940	EE	On-Demand	Anodyne	SIGMAR1	67	42
FC(F)OCCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041940	EE	On-Demand	Anodyne	SLC18A3	25	42
FC(F)OCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041941	EE	On-Demand	Anodyne	ACHE	25	40
FC(F)OCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041941	EE	On-Demand	Anodyne	SLC6A4	26	48
FC(F)OCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041941	EE	On-Demand	Anodyne	SLC6A3	71	49
FC(F)OCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041941	EE	On-Demand	Anodyne	SIGMAR1	67	42
FC(F)OCCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1	ZINC000852041941	EE	On-Demand	Anodyne	SLC18A3	25	42
COC(=O)N1CCC(NC(=O)N2CCC[C@H](C3CCC3)C2)CC1	ZINC000852041960	DE	On-Demand	Anodyne	EPHX2	18	41
COC(=O)N1CCC(NC(=O)N2CCC[C@@H](C3CCC3)C2)CC1	ZINC000852041965	DE	On-Demand	Anodyne	EPHX2	18	41
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	ZINC000852041987	GI	On-Demand	Anodyne	SLC6A3	30	52
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	ZINC000852041987	GI	On-Demand	Anodyne	ADAM9	43	34
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	ZINC000852041987	GI	On-Demand	Anodyne	ACHP_LYMST	24	40
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	ZINC000852041987	GI	On-Demand	Anodyne	Q8WSF8_APLCA	37	40
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	ZINC000852041989	GI	On-Demand	Anodyne	SLC6A3	30	52
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	ZINC000852041989	GI	On-Demand	Anodyne	ADAM9	43	34
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	ZINC000852041989	GI	On-Demand	Anodyne	ACHP_LYMST	24	40
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Cc1ccccc1)C2	ZINC000852041989	GI	On-Demand	Anodyne	Q8WSF8_APLCA	37	40
COC(=O)N1CCC(NC(=O)NCc2cnccc2C(F)(F)F)CC1	ZINC000852042003	FE	On-Demand	Anodyne	EPHX2	54	43
COC(=O)N1CCC(NC(=O)NCc2cnccc2C(F)(F)F)CC1	ZINC000852042003	FE	On-Demand	Anodyne	SFRP1	64	34
COC(=O)N1CCC(NC(=O)NCc2cnccc2C(F)(F)F)CC1	ZINC000852042003	FE	On-Demand	Anodyne	WNT3	46	31
COC(=O)N1CCC(NC(=O)NC[C@H](OC)C2CCCCC2)CC1	ZINC000852042004	EE	On-Demand	Anodyne	EPHX2	32	47
COC(=O)N1CCC(NC(=O)NC[C@@H](OC)C2CCCCC2)CC1	ZINC000852042005	EE	On-Demand	Anodyne	EPHX2	32	47
COC(=O)N(C)CCNC(=O)NCC(=O)N1CCc2ccccc21	ZINC000852042016	EC	On-Demand	Anodyne	AVPR2	31	41
C#CCOCCN1CCC([C@@H](O)c2ccccc2C)CC1	ZINC000852042042	CE	On-Demand	Mild	SLC6A1	44	44
C#CCOCCN1CCC([C@H](O)c2ccccc2C)CC1	ZINC000852042044	CE	On-Demand	Mild	SLC6A1	44	44
CC[C@@H](NC(=O)NC1CCN(C(=O)OC)CC1)C1CC1	ZINC000852042056	CD	On-Demand	Anodyne	EPHX2	28	45
COC(=O)N1CCC[C@H](NC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852042059	FE	On-Demand	Anodyne	CCR2	52	38
COC(=O)N1CCC(NC(=O)N[C@H](C(C)C)C2CC2)CC1	ZINC000852042092	CD	On-Demand	Anodyne	EPHX2	33	42
COC(=O)N1CCC(NC(=O)N[C@@H](C(C)C)C2CC2)CC1	ZINC000852042093	CD	On-Demand	Anodyne	EPHX2	33	42
COC(=O)N1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852042106	GD	On-Demand	Clean	EPHX2	39	44
Cc1ccccc1[C@@H](O)C1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852042126	CF	On-Demand	Anodyne	SLC18A3	87	52
Cc1ccccc1[C@H](O)C1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852042128	CF	On-Demand	Anodyne	SLC18A3	87	52
COC(=O)N1CCC(NC(=O)NC[C@H]2C(C)(C)C2(F)F)CC1	ZINC000852042150	DD	On-Demand	Anodyne	EPHX2	32	43
COC(=O)N1CCC(NC(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1	ZINC000852042151	DD	On-Demand	Anodyne	EPHX2	32	43
COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042163	FD	On-Demand	Anodyne	DRD2	41	46
COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042163	FD	On-Demand	Anodyne	DRD4	17	43
COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042163	FD	On-Demand	Anodyne	SIGMAR1	27	46
COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042163	FD	On-Demand	Anodyne	EPHX2	19	40
COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042163	FD	On-Demand	Anodyne	BIRC2	33	45
COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042163	FD	On-Demand	Anodyne	MBTPS1	42	33
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042164	FD	On-Demand	Anodyne	DRD2	41	46
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042164	FD	On-Demand	Anodyne	DRD4	17	43
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042164	FD	On-Demand	Anodyne	SIGMAR1	27	46
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042164	FD	On-Demand	Anodyne	EPHX2	19	40
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042164	FD	On-Demand	Anodyne	BIRC2	33	45
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852042164	FD	On-Demand	Anodyne	MBTPS1	42	33
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042165	FD	On-Demand	Anodyne	DRD2	41	46
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042165	FD	On-Demand	Anodyne	DRD4	17	43
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042165	FD	On-Demand	Anodyne	SIGMAR1	27	46
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042165	FD	On-Demand	Anodyne	EPHX2	19	40
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042165	FD	On-Demand	Anodyne	BIRC2	33	45
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042165	FD	On-Demand	Anodyne	MBTPS1	42	33
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042166	FD	On-Demand	Anodyne	DRD2	41	46
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042166	FD	On-Demand	Anodyne	DRD4	17	43
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042166	FD	On-Demand	Anodyne	SIGMAR1	27	46
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042166	FD	On-Demand	Anodyne	EPHX2	19	40
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042166	FD	On-Demand	Anodyne	BIRC2	33	45
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852042166	FD	On-Demand	Anodyne	MBTPS1	42	33
COC(=O)N1CCC(NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852042173	ED	On-Demand	Anodyne	DRD5	15	41
COC(=O)N1CCC(NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852042173	ED	On-Demand	Anodyne	MTNR1A	22	40
COC(=O)N1CCC(NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852042173	ED	On-Demand	Anodyne	MTNR1B	25	40
COC(=O)N1CCC(NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852042173	ED	On-Demand	Anodyne	EPHX2	18	41
COC(=O)N1CCC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852042191	FF	On-Demand	Anodyne	CCR8	45	32
COC(=O)N1CCC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852042191	FF	On-Demand	Anodyne	BIRC2	24	40
COC(=O)N1CCC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852042191	FF	On-Demand	Anodyne	SFRP1	48	32
COC(=O)N1CCC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852042191	FF	On-Demand	Anodyne	WNT3	41	32
COC(=O)N1CCC[C@H](NC(=O)N[C@H](c2ccccc2F)C(C)C)C1	ZINC000852042194	FG	On-Demand	Anodyne	BIRC2	36	44
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](c2ccccc2F)C(C)C)C1	ZINC000852042195	FG	On-Demand	Anodyne	BIRC2	36	44
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](c2ccccc2F)C(C)C)C1	ZINC000852042196	FG	On-Demand	Anodyne	BIRC2	36	44
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](c2ccccc2F)C(C)C)C1	ZINC000852042197	FG	On-Demand	Anodyne	BIRC2	36	44
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852042202	FD	On-Demand	Anodyne	EPHX2	26	47
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852042202	FD	On-Demand	Anodyne	BIRC2	25	43
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852042203	FD	On-Demand	Anodyne	EPHX2	26	47
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852042203	FD	On-Demand	Anodyne	BIRC2	25	43
COC(=O)N1CCC(NC(=O)NCC(C)(C)CC(F)(F)F)CC1	ZINC000852042208	EE	On-Demand	Anodyne	EPHX2	34	41
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852042229	FD	On-Demand	Anodyne	EPHX2	33	42
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852042232	FE	On-Demand	Anodyne	EPHX2	20	47
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852042232	FE	On-Demand	Anodyne	CCR8	42	38
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852042232	FE	On-Demand	Anodyne	BIRC2	24	41
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852042232	FE	On-Demand	Anodyne	SFRP1	86	34
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852042232	FE	On-Demand	Anodyne	WNT3	70	34
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852042234	FE	On-Demand	Anodyne	EPHX2	20	47
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852042234	FE	On-Demand	Anodyne	CCR8	42	38
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852042234	FE	On-Demand	Anodyne	BIRC2	24	41
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852042234	FE	On-Demand	Anodyne	SFRP1	86	34
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852042234	FE	On-Demand	Anodyne	WNT3	70	34
COC(=O)N1CCC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852042245	FD	On-Demand	Anodyne	CACNA1I	47	33
COC(=O)N1CCC(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)[C@H]2C)CC1	ZINC000852042250	GG	On-Demand	Anodyne	EPHX2	19	40
COC(=O)N1CCC(NC(=O)NC[C@]2(c3ccccc3)CC2(C)C)CC1	ZINC000852042256	FF	On-Demand	Anodyne	KCNA3	42	39
COC(=O)N1CCC(NC(=O)NC[C@]2(c3ccccc3)CC2(C)C)CC1	ZINC000852042256	FF	On-Demand	Anodyne	EPHX2	51	46
COC(=O)N1CCC(NC(=O)NC[C@]2(c3ccccc3)CC2(C)C)CC1	ZINC000852042256	FF	On-Demand	Anodyne	CCR8	40	36
COC(=O)N1CCC(NC(=O)NC[C@@]2(c3ccccc3)CC2(C)C)CC1	ZINC000852042258	FF	On-Demand	Anodyne	KCNA3	42	39
COC(=O)N1CCC(NC(=O)NC[C@@]2(c3ccccc3)CC2(C)C)CC1	ZINC000852042258	FF	On-Demand	Anodyne	EPHX2	51	46
COC(=O)N1CCC(NC(=O)NC[C@@]2(c3ccccc3)CC2(C)C)CC1	ZINC000852042258	FF	On-Demand	Anodyne	CCR8	40	36
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N3CCc4ccccc43)C2)cc1	ZINC000852042307	GE	On-Demand	Clean	DRD4	40	31
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N3CCc4ccccc43)C2)cc1	ZINC000852042307	GE	On-Demand	Clean	MTNR1A	19	44
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N3CCc4ccccc43)C2)cc1	ZINC000852042307	GE	On-Demand	Clean	MTNR1B	22	44
c1ccc(CN2CC[C@@H](N3CCN(Cc4cnon4)CC3)C2)cc1	ZINC000852042315	ED	On-Demand	Anodyne	DRD4	36	44
c1ccc(CN2CC[C@@H](N3CCN(Cc4cnon4)CC3)C2)cc1	ZINC000852042315	ED	On-Demand	Anodyne	ACHE	29	42
c1ccc(CN2CC[C@@H](N3CCN(Cc4cnon4)CC3)C2)cc1	ZINC000852042315	ED	On-Demand	Anodyne	SIGMAR1	54	42
c1ccc(CN2CC[C@@H](N3CCN(Cc4cnon4)CC3)C2)cc1	ZINC000852042315	ED	On-Demand	Anodyne	SLC18A3	22	40
c1ccc(CN2CC[C@H](N3CCN(Cc4cnon4)CC3)C2)cc1	ZINC000852042316	ED	On-Demand	Anodyne	DRD4	36	44
c1ccc(CN2CC[C@H](N3CCN(Cc4cnon4)CC3)C2)cc1	ZINC000852042316	ED	On-Demand	Anodyne	ACHE	29	42
c1ccc(CN2CC[C@H](N3CCN(Cc4cnon4)CC3)C2)cc1	ZINC000852042316	ED	On-Demand	Anodyne	SIGMAR1	54	42
c1ccc(CN2CC[C@H](N3CCN(Cc4cnon4)CC3)C2)cc1	ZINC000852042316	ED	On-Demand	Anodyne	SLC18A3	22	40
O=C(NCC(=O)N1CCc2ccccc21)NCc1ncccn1	ZINC000852042317	DC	On-Demand	Anodyne	AVPR2	30	45
Cc1ccccc1[C@@H](O)C1CCN(CCCC(=O)NCC(C)C)CC1	ZINC000852042331	EG	On-Demand	Anodyne	HTR2A	16	43
Cc1ccccc1[C@@H](O)C1CCN(CCCC(=O)NCC(C)C)CC1	ZINC000852042331	EG	On-Demand	Anodyne	HTR7	47	43
Cc1ccccc1[C@@H](O)C1CCN(CCCC(=O)NCC(C)C)CC1	ZINC000852042331	EG	On-Demand	Anodyne	PRCP	19	42
Cc1ccccc1[C@@H](O)C1CCN(CCCC(=O)NCC(C)C)CC1	ZINC000852042331	EG	On-Demand	Anodyne	CYP2J2	50	36
Cc1ccccc1[C@H](O)C1CCN(CCCC(=O)NCC(C)C)CC1	ZINC000852042332	EG	On-Demand	Anodyne	HTR2A	16	43
Cc1ccccc1[C@H](O)C1CCN(CCCC(=O)NCC(C)C)CC1	ZINC000852042332	EG	On-Demand	Anodyne	HTR7	47	43
Cc1ccccc1[C@H](O)C1CCN(CCCC(=O)NCC(C)C)CC1	ZINC000852042332	EG	On-Demand	Anodyne	PRCP	19	42
Cc1ccccc1[C@H](O)C1CCN(CCCC(=O)NCC(C)C)CC1	ZINC000852042332	EG	On-Demand	Anodyne	CYP2J2	50	36
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852042378	FD	On-Demand	Anodyne	CCR3	37	41
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852042379	FD	On-Demand	Anodyne	CCR3	37	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852042380	FD	On-Demand	Anodyne	CCR3	37	41
COC(=O)N1CCC[C@H](NC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852042381	FD	On-Demand	Anodyne	CCR3	37	41
COC(=O)N1CCC(NC(=O)N2CCC[C@H](C3CCCCC3)C2)CC1	ZINC000852042386	FG	On-Demand	Anodyne	EPHX2	24	47
COC(=O)N1CCC(NC(=O)N2CCC[C@@H](C3CCCCC3)C2)CC1	ZINC000852042387	FG	On-Demand	Anodyne	EPHX2	24	47
COC(=O)N1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)C1	ZINC000852042388	FD	On-Demand	Anodyne	BIRC2	31	41
COC(=O)N1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)C1	ZINC000852042389	FD	On-Demand	Anodyne	BIRC2	31	41
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccoc2)C1	ZINC000852042400	CD	On-Demand	Anodyne	BIRC2	33	41
COC(=O)N1CCC(NC(=O)NCc2cccc(OC)c2C)CC1	ZINC000852042401	EE	On-Demand	Anodyne	SIGMAR1	15	49
COC(=O)N1CCC(NC(=O)NCc2cccc(OC)c2C)CC1	ZINC000852042401	EE	On-Demand	Anodyne	P2RX7	18	41
COC(=O)N1CCC(NC(=O)NCc2cccc(OC)c2C)CC1	ZINC000852042401	EE	On-Demand	Anodyne	EPHX2	51	43
COC(=O)N1CCC(NC(=O)NCc2cccc(OC)c2C)CC1	ZINC000852042401	EE	On-Demand	Anodyne	CCR8	47	42
COC(=O)N1CCC[C@H](NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1	ZINC000852042416	GE	On-Demand	Anodyne	PDK1	41	34
COC(=O)N1CCC[C@@H](NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1	ZINC000852042417	GE	On-Demand	Anodyne	PDK1	41	34
COC(=O)N1CCC[C@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852042431	GE	On-Demand	Anodyne	GHSR	17	40
COC(=O)N1CCC[C@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852042431	GE	On-Demand	Anodyne	BIRC2	28	45
COC(=O)N1CCC[C@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852042432	GE	On-Demand	Anodyne	GHSR	17	40
COC(=O)N1CCC[C@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852042432	GE	On-Demand	Anodyne	BIRC2	28	45
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852042433	GE	On-Demand	Anodyne	GHSR	17	40
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852042433	GE	On-Demand	Anodyne	BIRC2	28	45
COC(=O)N1CCC[C@@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852042434	GE	On-Demand	Anodyne	GHSR	17	40
COC(=O)N1CCC[C@@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852042434	GE	On-Demand	Anodyne	BIRC2	28	45
COC(=O)N1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852042442	CC	On-Demand	Anodyne	GRIN2B	22	40
COC(=O)N1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852042442	CC	On-Demand	Anodyne	EPHX2	52	44
Cc1ccccc1[C@H](O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852042546	EH	On-Demand	Mild	SIGMAR1	23	42
Cc1ccccc1[C@H](O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852042546	EH	On-Demand	Mild	KCNJ1	48	53
Cc1ccccc1[C@@H](O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852042547	EH	On-Demand	Mild	SIGMAR1	23	42
Cc1ccccc1[C@@H](O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852042547	EH	On-Demand	Mild	KCNJ1	48	53
COC(=O)N1CCC(NC(=O)NC[C@H](OC)C2CCCC2)CC1	ZINC000852042565	ED	On-Demand	Anodyne	EPHX2	27	44
COC(=O)N1CCC(NC(=O)NC[C@@H](OC)C2CCCC2)CC1	ZINC000852042566	ED	On-Demand	Anodyne	EPHX2	27	44
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)C1	ZINC000852042571	EE	On-Demand	Anodyne	BIRC2	21	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)C1	ZINC000852042572	EE	On-Demand	Anodyne	BIRC2	21	41
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852042573	FF	On-Demand	Anodyne	EPHX2	25	42
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852042573	FF	On-Demand	Anodyne	BIRC2	17	42
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852042574	FF	On-Demand	Anodyne	EPHX2	25	42
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852042574	FF	On-Demand	Anodyne	BIRC2	17	42
COC(=O)N1CCC(NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852042575	ED	On-Demand	Anodyne	GRIN2B	19	40
COC(=O)N1CCC(NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852042575	ED	On-Demand	Anodyne	EPHX2	49	43
COC(=O)N1CCC(NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852042575	ED	On-Demand	Anodyne	CCR8	43	37
COC(=O)N1CCC(NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852042576	ED	On-Demand	Anodyne	GRIN2B	19	40
COC(=O)N1CCC(NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852042576	ED	On-Demand	Anodyne	EPHX2	49	43
COC(=O)N1CCC(NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852042576	ED	On-Demand	Anodyne	CCR8	43	37
COC(=O)N1CCC(NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852042577	ED	On-Demand	Anodyne	GRIN2B	19	40
COC(=O)N1CCC(NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852042577	ED	On-Demand	Anodyne	EPHX2	49	43
COC(=O)N1CCC(NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852042577	ED	On-Demand	Anodyne	CCR8	43	37
COC(=O)N1CCC(NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852042578	ED	On-Demand	Anodyne	GRIN2B	19	40
COC(=O)N1CCC(NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852042578	ED	On-Demand	Anodyne	EPHX2	49	43
COC(=O)N1CCC(NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852042578	ED	On-Demand	Anodyne	CCR8	43	37
COC(=O)N1CCC(NC(=O)N2C[C@H]3CC[C@@H](C3)C2)CC1	ZINC000852042582	CD	On-Demand	Anodyne	EPHX2	19	40
COC(=O)N1CCC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852042583	GF	On-Demand	Anodyne	EPHX2	17	56
COC(=O)N1CCC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852042583	GF	On-Demand	Anodyne	TRPM8	26	48
COC(=O)N1CCC(NC(=O)NCc2cc(C)cc(C)c2)CC1	ZINC000852042585	DE	On-Demand	Anodyne	EPHX2	51	42
COC(=O)N1CCC(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1	ZINC000852042586	FC	On-Demand	Anodyne	EPHX2	23	42
COC(=O)N1CCC(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1	ZINC000852042587	FC	On-Demand	Anodyne	EPHX2	23	42
COC(=O)N1CCC(NC(=O)NCC2(CC(N)=O)CCCCC2)CC1	ZINC000852042590	FD	On-Demand	Anodyne	EPHX2	32	41
COC(=O)N1CCC(NC(=O)NCc2cc(F)ccc2OC(F)F)CC1	ZINC000852042595	GE	On-Demand	Anodyne	P2RX7	42	38
COC(=O)N1CCC(NC(=O)NCc2cc(F)ccc2OC(F)F)CC1	ZINC000852042595	GE	On-Demand	Anodyne	EPHX2	43	36
COC(=O)N1CCC[C@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852042597	FE	On-Demand	Anodyne	MTNR1A	26	42
COC(=O)N1CCC[C@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852042597	FE	On-Demand	Anodyne	MTNR1B	21	42
COC(=O)N1CCC[C@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852042597	FE	On-Demand	Anodyne	BIRC2	23	40
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852042600	FE	On-Demand	Anodyne	BIRC2	24	43
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852042601	FE	On-Demand	Anodyne	BIRC2	24	43
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852042602	FE	On-Demand	Anodyne	BIRC2	24	43
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042604	GF	On-Demand	Anodyne	ADRB3	19	40
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042604	GF	On-Demand	Anodyne	TACR2	61	34
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042604	GF	On-Demand	Anodyne	TACR3	43	33
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042604	GF	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042605	GF	On-Demand	Anodyne	ADRB3	19	40
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042605	GF	On-Demand	Anodyne	TACR2	61	34
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042605	GF	On-Demand	Anodyne	TACR3	43	33
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042605	GF	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042606	GF	On-Demand	Anodyne	ADRB3	19	40
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042606	GF	On-Demand	Anodyne	TACR2	61	34
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042606	GF	On-Demand	Anodyne	TACR3	43	33
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852042606	GF	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC(NC(=O)NC[C@@H](C)C2CCCCC2)CC1	ZINC000852042615	EF	On-Demand	Anodyne	EPHX2	35	49
COC(=O)N1CCC(NC(=O)NC[C@H](C)C2CCCCC2)CC1	ZINC000852042616	EF	On-Demand	Anodyne	EPHX2	35	49
COC(=O)N1CCC(NC(=O)N2CC[C@H]2c2ccc(Br)cc2)CC1	ZINC000852042618	GG	On-Demand	Anodyne	EPHX2	18	42
COC(=O)N1CCC(NC(=O)N2CC[C@@H]2c2ccc(Br)cc2)CC1	ZINC000852042619	GG	On-Demand	Anodyne	EPHX2	18	42
CCC(CC)(CNC(=O)NC1CCN(C(=O)OC)CC1)c1ccc(F)cc1	ZINC000852042630	GG	On-Demand	Anodyne	EPHX2	46	46
CCC(CC)(CNC(=O)NC1CCN(C(=O)OC)CC1)c1ccc(F)cc1	ZINC000852042630	GG	On-Demand	Anodyne	CACNA1G	44	51
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](C)c2cscn2)C1	ZINC000852042635	DD	On-Demand	Anodyne	BIRC2	15	41
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)c2cscn2)C1	ZINC000852042636	DD	On-Demand	Anodyne	BIRC2	15	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](C)c2cscn2)C1	ZINC000852042637	DD	On-Demand	Anodyne	BIRC2	15	41
COC(=O)N1CCC[C@H](NC(=O)N[C@H](C)c2cscn2)C1	ZINC000852042638	DD	On-Demand	Anodyne	BIRC2	15	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](C(C)C)C2CC2)C1	ZINC000852042639	CD	On-Demand	Anodyne	BIRC2	32	45
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](C(C)C)C2CC2)C1	ZINC000852042640	CD	On-Demand	Anodyne	BIRC2	32	45
COC(=O)N1CCC[C@H](NC(=O)N[C@H](C(C)C)C2CC2)C1	ZINC000852042641	CD	On-Demand	Anodyne	BIRC2	32	45
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C(C)C)C2CC2)C1	ZINC000852042642	CD	On-Demand	Anodyne	BIRC2	32	45
COC(=O)N1CCC[C@H](NC(=O)NCc2cc(C)cc(C)c2)C1	ZINC000852042643	DE	On-Demand	Anodyne	EPHX2	18	40
COC(=O)N1CCC[C@@H](NC(=O)NCc2cc(C)cc(C)c2)C1	ZINC000852042644	DE	On-Demand	Anodyne	EPHX2	18	40
COC(=O)N1CCC(NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1	ZINC000852042651	GC	On-Demand	Anodyne	EPHX2	43	39
COC(=O)N1CCC(NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1	ZINC000852042651	GC	On-Demand	Anodyne	CCR8	54	39
COC(=O)c1ccc2nc(CN3CCC([C@@H](O)c4ccccc4C)CC3)[nH]c2c1	ZINC000852042716	GH	On-Demand	Anodyne	DRD4	16	43
COC(=O)c1ccc2nc(CN3CCC([C@@H](O)c4ccccc4C)CC3)[nH]c2c1	ZINC000852042716	GH	On-Demand	Anodyne	GRIN2B	16	44
COC(=O)c1ccc2nc(CN3CCC([C@H](O)c4ccccc4C)CC3)[nH]c2c1	ZINC000852042717	GH	On-Demand	Anodyne	DRD4	16	43
COC(=O)c1ccc2nc(CN3CCC([C@H](O)c4ccccc4C)CC3)[nH]c2c1	ZINC000852042717	GH	On-Demand	Anodyne	GRIN2B	16	44
NC(=O)[C@](O)(CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1ccccc1	ZINC000852042730	EC	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1ccccc1	ZINC000852042731	EC	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1ccccc1	ZINC000852042732	EC	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1)c1ccccc1	ZINC000852042733	EC	On-Demand	Anodyne	CYP2J2	45	32
COC(=O)[C@@]1(C(F)(F)F)CCN(CCOCc2ccccc2)C1	ZINC000852042740	EF	On-Demand	Anodyne	TACR1	16	43
COC(=O)[C@@]1(C(F)(F)F)CCN(CCOCc2ccccc2)C1	ZINC000852042740	EF	On-Demand	Anodyne	SLC12A5	75	40
COC(=O)N1CCC(NC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)CC1	ZINC000852042742	GE	On-Demand	Anodyne	NPY1R	25	41
COC(=O)N1CCC(NC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)CC1	ZINC000852042742	GE	On-Demand	Anodyne	EPHX2	24	41
COC(=O)N1CCC(NC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)CC1	ZINC000852042743	GE	On-Demand	Anodyne	NPY1R	25	41
COC(=O)N1CCC(NC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)CC1	ZINC000852042743	GE	On-Demand	Anodyne	EPHX2	24	41
COC(=O)C[C@](C)(NCC(=O)Nc1cccnc1Cl)c1ccncc1	ZINC000852042746	FE	On-Demand	Anodyne	G2YM83_BOTF4	56	31
COC(=O)N1CCC(NC(=O)N[C@H]2CCCc3c(C)cccc32)CC1	ZINC000852042775	EF	On-Demand	Anodyne	EPHX2	35	40
COC(=O)N1CCC(NC(=O)N[C@H]2CCCc3c(C)cccc32)CC1	ZINC000852042775	EF	On-Demand	Anodyne	CCR8	43	33
COC(=O)N1CCC(NC(=O)N[C@@H]2CCCc3c(C)cccc32)CC1	ZINC000852042776	EF	On-Demand	Anodyne	EPHX2	35	40
COC(=O)N1CCC(NC(=O)N[C@@H]2CCCc3c(C)cccc32)CC1	ZINC000852042776	EF	On-Demand	Anodyne	CCR8	43	33
CNC(=O)CC1(CNC(=O)NC2CCN(C(=O)OC)CC2)CCCCC1	ZINC000852042789	FD	On-Demand	Anodyne	EPHX2	29	44
COC(=O)N1CCC(NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)CC1	ZINC000852042790	GF	On-Demand	Anodyne	MTNR1A	20	41
COC(=O)N1CCC(NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)CC1	ZINC000852042790	GF	On-Demand	Anodyne	MTNR1B	25	41
COC(=O)N1CCC(NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)CC1	ZINC000852042790	GF	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC(NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)CC1	ZINC000852042791	GF	On-Demand	Anodyne	MTNR1A	20	41
COC(=O)N1CCC(NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)CC1	ZINC000852042791	GF	On-Demand	Anodyne	MTNR1B	25	41
COC(=O)N1CCC(NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)CC1	ZINC000852042791	GF	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852042808	ED	On-Demand	Anodyne	BIRC2	43	46
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852042809	ED	On-Demand	Anodyne	BIRC2	43	46
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)C1	ZINC000852042810	ED	On-Demand	Anodyne	BIRC2	43	46
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)C1	ZINC000852042811	ED	On-Demand	Anodyne	BIRC2	43	46
COC(=O)N1CCC[C@@H](NC(=O)NCc2cc(F)ccc2OC(F)F)C1	ZINC000852042812	GE	On-Demand	Anodyne	ACKR3	40	32
COC(=O)N1CCC[C@H](NC(=O)NCc2cc(F)ccc2OC(F)F)C1	ZINC000852042813	GE	On-Demand	Anodyne	ACKR3	40	32
COC(=O)N1CCC(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)CC1	ZINC000852042818	FE	On-Demand	Anodyne	EPHX2	28	46
COC(=O)N1CCC(NC(=O)NC[C@H]2CCOC2(C)C)CC1	ZINC000852042840	DD	On-Demand	Anodyne	EPHX2	21	44
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCOC2(C)C)CC1	ZINC000852042841	DD	On-Demand	Anodyne	EPHX2	21	44
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852042842	GD	On-Demand	Anodyne	BIRC2	20	41
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852042843	GD	On-Demand	Anodyne	BIRC2	20	41
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852042844	GD	On-Demand	Anodyne	BIRC2	20	41
COC(=O)N1CCC[C@H](NC(=O)NCc2cc3cc(C)ccc3o2)C1	ZINC000852042853	EF	On-Demand	Anodyne	HRH3	23	40
COC(=O)N1CCC[C@@H](NC(=O)NCc2cc3cc(C)ccc3o2)C1	ZINC000852042854	EF	On-Demand	Anodyne	HRH3	23	40
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](OC)C2CCCCC2)C1	ZINC000852042871	EE	On-Demand	Anodyne	BIRC2	15	43
COC(=O)N1CCC[C@H](NC(=O)NC[C@H](OC)C2CCCCC2)C1	ZINC000852042872	EE	On-Demand	Anodyne	BIRC2	15	43
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](OC)C2CCCCC2)C1	ZINC000852042874	EE	On-Demand	Anodyne	BIRC2	15	43
COC(=O)N1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852042907	GD	On-Demand	Anodyne	ACHE	25	42
COC(=O)N1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852042907	GD	On-Demand	Anodyne	SIGMAR1	26	41
COC(=O)N1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852042907	GD	On-Demand	Anodyne	SSTR5	57	36
COC(=O)N1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852042907	GD	On-Demand	Anodyne	CCR3	44	40
COC(=O)N1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852042907	GD	On-Demand	Anodyne	CACNA1I	61	40
COC(=O)C[C@](C)(NCC(=O)Nc1ccc2nc(O)[nH]c2c1)c1ccncc1	ZINC000852042908	GD	On-Demand	Anodyne	ENPP1	52	35
COC(=O)N1CCC[C@H](NC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852042914	ED	On-Demand	Anodyne	SMO	30	41
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000852042952	FD	On-Demand	Anodyne	DRD2	30	44
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000852042952	FD	On-Demand	Anodyne	DRD4	25	47
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000852042952	FD	On-Demand	Anodyne	SIGMAR1	33	47
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000852042952	FD	On-Demand	Anodyne	EPHX2	49	44
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000852042952	FD	On-Demand	Anodyne	MCHR1	19	43
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000852042952	FD	On-Demand	Anodyne	CCR8	67	39
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000852042953	FD	On-Demand	Anodyne	DRD2	30	44
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000852042953	FD	On-Demand	Anodyne	DRD4	25	47
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000852042953	FD	On-Demand	Anodyne	SIGMAR1	33	47
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000852042953	FD	On-Demand	Anodyne	EPHX2	49	44
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000852042953	FD	On-Demand	Anodyne	MCHR1	19	43
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000852042953	FD	On-Demand	Anodyne	CCR8	67	39
COC(=O)N1CCC(NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852042962	ED	On-Demand	Anodyne	EPHX2	25	42
COC(=O)N1CCC(NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852042962	ED	On-Demand	Anodyne	SMO	31	42
COC(=O)N1CCC(NC(=O)NC2CCC(C3CCC3)CC2)CC1	ZINC000852042963	EF	On-Demand	Anodyne	EPHX2	37	57
COC(=O)N1CCC(NC(=O)NCc2cccc3c2OC(F)(F)O3)CC1	ZINC000852042968	FE	On-Demand	Anodyne	EPHX2	40	37
COC(=O)N1CCC(NC(=O)N2CCC3(CCc4ccccc4O3)CC2)CC1	ZINC000852043002	GF	On-Demand	Anodyne	EPHX2	31	60
COC(=O)N1CCC(NC(=O)N2CCC3(CCc4ccccc4O3)CC2)CC1	ZINC000852043002	GF	On-Demand	Anodyne	TRPM8	29	52
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)C1	ZINC000852043016	GF	On-Demand	Anodyne	MTNR1A	18	41
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)C1	ZINC000852043016	GF	On-Demand	Anodyne	MTNR1B	21	41
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)C1	ZINC000852043017	GF	On-Demand	Anodyne	MTNR1A	18	41
COC(=O)N1CCC[C@H](NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)C1	ZINC000852043017	GF	On-Demand	Anodyne	MTNR1B	21	41
COC(=O)c1ccc(CNC(=O)NC2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852043029	FD	On-Demand	Anodyne	BDKRB1	29	45
COC(=O)c1ccc(CNC(=O)NC2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852043029	FD	On-Demand	Anodyne	EPHX2	52	48
COC(=O)C[C@](C)(NCCN1CCCC1)c1ccncc1	ZINC000852043039	CD	On-Demand	Anodyne	HNMT	40	32
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2ccccc2C)CC1	ZINC000852043047	FF	On-Demand	Anodyne	EPHX2	52	46
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2ccccc2C)CC1	ZINC000852043047	FF	On-Demand	Anodyne	RBP4	42	37
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2ccccc2C)CC1	ZINC000852043047	FF	On-Demand	Anodyne	CCR8	75	36
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2ccccc2C)CC1	ZINC000852043047	FF	On-Demand	Anodyne	SFRP1	57	35
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2ccccc2C)CC1	ZINC000852043047	FF	On-Demand	Anodyne	WNT3	46	34
COC(=O)N1CCC(NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852043048	EC	On-Demand	Reactive	EPHX2	36	42
COC(=O)N1CCC(NC(=O)NC2CC(C)(C)C2)CC1	ZINC000852043057	CD	On-Demand	Anodyne	EPHX2	39	59
COC(=O)N1CCC(NC(=O)NCCCc2ccco2)CC1	ZINC000852043063	DD	On-Demand	Anodyne	EPHX2	35	43
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@]2(C)OC)CC1	ZINC000852043078	CC	On-Demand	Anodyne	EPHX2	34	50
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C)c4ccccc4n3)C2)cc1	ZINC000852043097	GG	On-Demand	Clean	ADAM17	52	37
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C)c4ccccc4n3)C2)cc1	ZINC000852043097	GG	On-Demand	Clean	MTNR1A	16	46
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C)c4ccccc4n3)C2)cc1	ZINC000852043097	GG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C)c4ccccc4n3)C2)cc1	ZINC000852043097	GG	On-Demand	Clean	MCHR1	24	41
COC(=O)N1CCC(NC(=O)NCCc2ccoc2)CC1	ZINC000852043099	CD	On-Demand	Anodyne	EPHX2	37	45
COC(=O)N1CCC(NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)CC1	ZINC000852043100	FE	On-Demand	Anodyne	CHRM1	16	41
COC(=O)N1CCC(NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)CC1	ZINC000852043100	FE	On-Demand	Anodyne	CCR8	54	39
COC(=O)N1CCC(NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)CC1	ZINC000852043100	FE	On-Demand	Anodyne	SFRP1	57	34
COC(=O)N1CCC(NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)CC1	ZINC000852043100	FE	On-Demand	Anodyne	WNT3	43	34
COC(=O)N1CCC(NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)CC1	ZINC000852043101	FE	On-Demand	Anodyne	CHRM1	16	41
COC(=O)N1CCC(NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)CC1	ZINC000852043101	FE	On-Demand	Anodyne	CCR8	54	39
COC(=O)N1CCC(NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)CC1	ZINC000852043101	FE	On-Demand	Anodyne	SFRP1	57	34
COC(=O)N1CCC(NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)CC1	ZINC000852043101	FE	On-Demand	Anodyne	WNT3	43	34
COC(=O)C[C@](C)(NCC(=O)NNC(=O)c1cccc(C)c1)c1ccncc1	ZINC000852043104	GD	On-Demand	Reactive	KCNK3	58	43
COC(=O)C[C@](C)(NCC(=O)NNC(=O)c1cccc(C)c1)c1ccncc1	ZINC000852043104	GD	On-Demand	Reactive	KCNK9	44	38
COC(=O)N1CCC(NC(=O)NCCOCCF)CC1	ZINC000852043110	CC	On-Demand	Anodyne	EPHX2	29	44
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852043113	EE	On-Demand	Anodyne	EPHX2	49	43
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852043113	EE	On-Demand	Anodyne	BIRC2	25	46
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852043114	EE	On-Demand	Anodyne	EPHX2	49	43
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852043114	EE	On-Demand	Anodyne	BIRC2	25	46
COC(=O)c1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)OC)C2)c(F)c1	ZINC000852043123	FD	On-Demand	Anodyne	BDKRB1	28	43
COC(=O)c1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)OC)C2)c(F)c1	ZINC000852043123	FD	On-Demand	Anodyne	EPHX2	22	41
COC(=O)c1ccc(CNC(=O)N[C@H]2CCCN(C(=O)OC)C2)c(F)c1	ZINC000852043124	FD	On-Demand	Anodyne	BDKRB1	28	43
COC(=O)c1ccc(CNC(=O)N[C@H]2CCCN(C(=O)OC)C2)c(F)c1	ZINC000852043124	FD	On-Demand	Anodyne	EPHX2	22	41
COC(=O)N1CCC(NC(=O)NCCC2SCCS2)CC1	ZINC000852043125	ED	On-Demand	Anodyne	EPHX2	26	44
COC(=O)N1CCC(NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852043130	FD	On-Demand	Anodyne	HTR4	19	45
COC(=O)N1CCC(NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852043130	FD	On-Demand	Anodyne	CACNA1I	51	36
COC(=O)C[C@](C)(NCCOC1CCCCCC1)c1ccncc1	ZINC000852043131	EG	On-Demand	Anodyne	AMY2	44	30
COC(=O)N1CCC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852043137	GG	On-Demand	Anodyne	EPHX2	21	43
COC(=O)N1CCC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852043137	GG	On-Demand	Anodyne	BIRC2	24	41
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852043142	EE	On-Demand	Anodyne	EPHX2	24	42
COC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852043142	EE	On-Demand	Anodyne	BIRC2	17	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852043143	EE	On-Demand	Anodyne	EPHX2	24	42
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852043143	EE	On-Demand	Anodyne	BIRC2	17	41
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852043144	FE	On-Demand	Anodyne	EPHX2	21	41
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852043144	FE	On-Demand	Anodyne	BIRC2	15	40
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852043145	FE	On-Demand	Anodyne	EPHX2	21	41
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852043145	FE	On-Demand	Anodyne	BIRC2	15	40
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852043160	FE	On-Demand	Anodyne	PREP	17	40
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852043160	FE	On-Demand	Anodyne	MTNR1A	26	42
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852043160	FE	On-Demand	Anodyne	MTNR1B	18	42
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852043160	FE	On-Demand	Anodyne	HNMT	47	35
COC(=O)N1CCC[C@H](NC(=O)N[C@H](C)COc2c(F)cccc2F)C1	ZINC000852043166	FE	On-Demand	Anodyne	BIRC2	34	43
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](C)COc2c(F)cccc2F)C1	ZINC000852043167	FE	On-Demand	Anodyne	BIRC2	34	43
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)COc2c(F)cccc2F)C1	ZINC000852043168	FE	On-Demand	Anodyne	BIRC2	34	43
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](C)COc2c(F)cccc2F)C1	ZINC000852043169	FE	On-Demand	Anodyne	BIRC2	34	43
COC(=O)N1CCC(NC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)CC1	ZINC000852043185	FE	On-Demand	Anodyne	EPHX2	28	44
COC(=O)N1CCC[C@@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852043199	FE	On-Demand	Anodyne	BIRC2	27	40
COC(=O)N1CCC[C@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852043200	FE	On-Demand	Anodyne	BIRC2	27	40
COC(=O)N1CCC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852043207	CC	On-Demand	Anodyne	EPHX2	18	40
COC(=O)N1CCC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852043207	CC	On-Demand	Anodyne	BIRC2	20	42
COC(=O)N1CCC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852043208	CC	On-Demand	Anodyne	EPHX2	18	40
COC(=O)N1CCC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852043208	CC	On-Demand	Anodyne	BIRC2	20	42
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)C1	ZINC000852043217	GF	On-Demand	Anodyne	BIRC2	22	40
COC(=O)N1CCC[C@H](NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)C1	ZINC000852043218	GF	On-Demand	Anodyne	BIRC2	22	40
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)C1	ZINC000852043219	GF	On-Demand	Anodyne	BIRC2	22	40
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)C1	ZINC000852043220	GF	On-Demand	Anodyne	BIRC2	22	40
COC(=O)N1CCC[C@H](NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852043250	EE	On-Demand	Anodyne	EPHX2	19	45
COC(=O)N1CCC[C@H](NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852043250	EE	On-Demand	Anodyne	BIRC2	23	42
COC(=O)N1CCC[C@@H](NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852043251	EE	On-Demand	Anodyne	EPHX2	19	45
COC(=O)N1CCC[C@@H](NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852043251	EE	On-Demand	Anodyne	BIRC2	23	42
COC(=O)N1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852043252	GF	On-Demand	Anodyne	SLC6A3	15	46
COC(=O)N1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852043252	GF	On-Demand	Anodyne	ADRB3	24	41
COC(=O)N1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852043252	GF	On-Demand	Anodyne	EPHX2	44	50
COC(=O)N1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852043253	GF	On-Demand	Anodyne	SLC6A3	15	46
COC(=O)N1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852043253	GF	On-Demand	Anodyne	ADRB3	24	41
COC(=O)N1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852043253	GF	On-Demand	Anodyne	EPHX2	44	50
COC(=O)N1CCC[C@@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852043267	FD	On-Demand	Anodyne	EPHX2	23	41
COC(=O)N1CCC[C@@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852043267	FD	On-Demand	Anodyne	BIRC2	17	40
COC(=O)N1CCC[C@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852043268	FD	On-Demand	Anodyne	EPHX2	23	41
COC(=O)N1CCC[C@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852043268	FD	On-Demand	Anodyne	BIRC2	17	40
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043276	FD	On-Demand	Anodyne	EPHX2	19	44
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043277	FD	On-Demand	Anodyne	EPHX2	19	44
COC(=O)N1CCC(NC(=O)NCC(F)(F)C(C)(C)C)CC1	ZINC000852043279	DE	On-Demand	Anodyne	EPHX2	36	42
COC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)C1	ZINC000852043315	GF	On-Demand	Anodyne	KCNQ2	43	37
COC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)C1	ZINC000852043316	GF	On-Demand	Anodyne	KCNQ2	43	37
COC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)C1	ZINC000852043317	GF	On-Demand	Anodyne	KCNQ2	43	37
COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)C1	ZINC000852043318	GF	On-Demand	Anodyne	KCNQ2	43	37
CCSC1(CNC(=O)NC2CCN(C(=O)OC)CC2)CC1	ZINC000852043330	DD	On-Demand	Anodyne	EPHX2	30	42
COC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852043374	EE	On-Demand	Anodyne	EPHX2	20	45
COC(=O)N1CCC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852043376	FE	On-Demand	Anodyne	P2RX7	40	35
COC(=O)N1CCC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852043376	FE	On-Demand	Anodyne	SFRP1	53	32
COC(=O)N1CCC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852043376	FE	On-Demand	Anodyne	WNT3	49	31
COC(=O)N1CCC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852043377	FE	On-Demand	Anodyne	P2RX7	40	35
COC(=O)N1CCC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852043377	FE	On-Demand	Anodyne	SFRP1	53	32
COC(=O)N1CCC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852043377	FE	On-Demand	Anodyne	WNT3	49	31
COC(=O)C[C@](C)(NCC[C@H]1CCOC1=O)c1ccncc1	ZINC000852043383	DD	On-Demand	Anodyne	TRAR	41	33
COC(=O)C[C@](C)(NCC[C@@H]1CCOC1=O)c1ccncc1	ZINC000852043385	DD	On-Demand	Anodyne	TRAR	41	33
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043391	FG	On-Demand	Anodyne	OPRK1	24	48
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043391	FG	On-Demand	Anodyne	SIGMAR1	20	43
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043391	FG	On-Demand	Anodyne	P2RX7	27	44
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043391	FG	On-Demand	Anodyne	CCR3	47	42
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043391	FG	On-Demand	Anodyne	UTS2R	27	40
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043391	FG	On-Demand	Anodyne	SLC6A5	15	41
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043391	FG	On-Demand	Anodyne	EPHX2	29	55
COC(=O)N1CCC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043391	FG	On-Demand	Anodyne	DNAE	52	30
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043392	FG	On-Demand	Anodyne	OPRK1	24	48
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043392	FG	On-Demand	Anodyne	SIGMAR1	20	43
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043392	FG	On-Demand	Anodyne	P2RX7	27	44
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043392	FG	On-Demand	Anodyne	CCR3	47	42
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043392	FG	On-Demand	Anodyne	UTS2R	27	40
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043392	FG	On-Demand	Anodyne	SLC6A5	15	41
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043392	FG	On-Demand	Anodyne	EPHX2	29	55
COC(=O)N1CCC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852043392	FG	On-Demand	Anodyne	DNAE	52	30
COC(=O)N1CCC[C@H](NC(=O)N[C@H](C)CN2CCC(C)CC2)C1	ZINC000852043393	ED	On-Demand	Anodyne	BIRC2	31	41
COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)CN2CCC(C)CC2)C1	ZINC000852043394	ED	On-Demand	Anodyne	BIRC2	31	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@H](C)CN2CCC(C)CC2)C1	ZINC000852043395	ED	On-Demand	Anodyne	BIRC2	31	41
COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](C)CN2CCC(C)CC2)C1	ZINC000852043396	ED	On-Demand	Anodyne	BIRC2	31	41
COC(=O)C[C@](C)(NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1	ZINC000852043430	GG	On-Demand	Anodyne	GPR119	38	43
COC(=O)C[C@](C)(NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1	ZINC000852043432	GG	On-Demand	Anodyne	GPR119	38	43
COC(=O)N(C)CCNC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043439	DC	On-Demand	Anodyne	EPHX2	23	44
COC(=O)N1CCC(NC(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)CC1	ZINC000852043440	EF	On-Demand	Anodyne	EPHX2	27	44
COC(=O)N1CCC(NC(=O)N[C@H](CO)C2CCC2)CC1	ZINC000852043456	CC	On-Demand	Anodyne	EPHX2	24	42
COC(=O)N1CCC(NC(=O)N[C@@H](CO)C2CCC2)CC1	ZINC000852043457	CC	On-Demand	Anodyne	EPHX2	24	42
O=C(NCC[S@@](=O)CC(F)(F)F)NCC(=O)N1CCc2ccccc2C1	ZINC000852043475	GD	On-Demand	Anodyne	DPP8	16	43
O=C(NCC[S@](=O)CC(F)(F)F)NCC(=O)N1CCc2ccccc2C1	ZINC000852043476	GD	On-Demand	Anodyne	DPP8	16	43
COC(=O)N1CCC(NC(=O)N[C@H]2CCCC23CCCCC3)CC1	ZINC000852043502	EG	On-Demand	Anodyne	EPHX2	24	49
COC(=O)N1CCC(NC(=O)N[C@@H]2CCCC23CCCCC3)CC1	ZINC000852043503	EG	On-Demand	Anodyne	EPHX2	24	49
O=C(NCC(=O)N1CCc2ccccc2C1)NCc1ncccn1	ZINC000852043504	EC	On-Demand	Anodyne	DPP8	21	48
COC(=O)N1CCC(NC(=O)NCCc2noc3ccccc23)CC1	ZINC000852043527	ED	On-Demand	Anodyne	CCR8	50	37
COC(=O)N1CCC(NC(=O)NCCC2CC(OC)C2)CC1	ZINC000852043541	DD	On-Demand	Anodyne	EPHX2	31	47
COC(=O)N1CCC(NC(=O)N2CCC[C@H]2c2c(C)cccc2C)CC1	ZINC000852043542	FG	On-Demand	Anodyne	CCR8	66	36
COC(=O)N1CCC(NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)CC1	ZINC000852043543	FG	On-Demand	Anodyne	CCR8	66	36
COC(=O)N1CCC(NC(=O)NCC2(C#N)CCCCC2)CC1	ZINC000852043561	DD	On-Demand	Mild	EPHX2	29	43
COC(=O)N(C)CCNC(=O)NCC(=O)N1CCc2ccccc2C1	ZINC000852043564	EC	On-Demand	Anodyne	DPP8	22	46
COC(=O)N1CCC(NC(=O)N2CCC(C3CCC3)CC2)CC1	ZINC000852043565	DE	On-Demand	Anodyne	EPHX2	28	45
COC(=O)N1CCC(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852043566	EE	On-Demand	Anodyne	EPHX2	38	43
O=C(NCCC1SCCS1)NCC(=O)N1CCc2ccccc2C1	ZINC000852043568	FE	On-Demand	Anodyne	DPP8	22	45
COCCN(CCF)C(=O)NCC(=O)N1CCc2ccccc2C1	ZINC000852043569	ED	On-Demand	Anodyne	DPP8	15	42
COCCN(CCF)C(=O)NCC(=O)N1CCc2ccccc2C1	ZINC000852043569	ED	On-Demand	Anodyne	NOD2	41	36
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2ccc(F)cc2)CC1	ZINC000852043577	FE	On-Demand	Anodyne	EPHX2	55	47
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2ccc(F)cc2)CC1	ZINC000852043577	FE	On-Demand	Anodyne	MCHR1	17	43
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2ccc(F)cc2)CC1	ZINC000852043577	FE	On-Demand	Anodyne	CACNA1G	39	41
COC(=O)N1CCC(NC(=O)NCCc2cn(C)c3ccccc23)CC1	ZINC000852043588	FE	On-Demand	Anodyne	HTR4	24	40
COC(=O)N1CCC(NC(=O)NCCc2cn(C)c3ccccc23)CC1	ZINC000852043588	FE	On-Demand	Anodyne	MTNR1A	31	45
COC(=O)N1CCC(NC(=O)NCCc2cn(C)c3ccccc23)CC1	ZINC000852043588	FE	On-Demand	Anodyne	MTNR1B	23	45
COC(=O)N1CCC(NC(=O)NCCc2cn(C)c3ccccc23)CC1	ZINC000852043588	FE	On-Demand	Anodyne	CCR8	77	39
COC(=O)N1CCC(NC(=O)NCCC(C)(C)F)CC1	ZINC000852043589	CD	On-Demand	Anodyne	EPHX2	38	45
C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043594	DF	On-Demand	Mild	EPHX2	18	45
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043595	DF	On-Demand	Mild	EPHX2	18	45
C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043596	DF	On-Demand	Mild	EPHX2	18	45
C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043597	DF	On-Demand	Mild	EPHX2	18	45
O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852043610	GF	On-Demand	Bother	CCR3	20	42
O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852043611	GF	On-Demand	Bother	CCR3	20	42
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852043612	GF	On-Demand	Bother	CCR3	20	42
O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852043613	GF	On-Demand	Bother	CCR3	20	42
COC(=O)N1CCC(NC(=O)NCc2sc(C)cc2Br)CC1	ZINC000852043649	GF	On-Demand	Anodyne	EPHX2	32	40
COC(=O)N1CCC(NC(=O)N[C@H]2COC3(CCC3)C2)CC1	ZINC000852043693	DD	On-Demand	Anodyne	EPHX2	24	50
COC(=O)N1CCC(NC(=O)N[C@@H]2COC3(CCC3)C2)CC1	ZINC000852043694	DD	On-Demand	Anodyne	EPHX2	24	50
COC(=O)N1CCC(NC(=O)NCc2cnc(C(F)(F)F)nc2)CC1	ZINC000852043695	FD	On-Demand	Anodyne	EPHX2	42	40
COC(=O)N1CCC(NC(=O)NCCCC2CCC2)CC1	ZINC000852043705	CE	On-Demand	Anodyne	EPHX2	35	50
COC(=O)N1CCC(NC(=O)NC[C@@](C)(COCc2ccccc2)OC)CC1	ZINC000852043706	GE	On-Demand	Anodyne	SIGMAR1	15	40
COC(=O)N1CCC(NC(=O)NC[C@@](C)(COCc2ccccc2)OC)CC1	ZINC000852043706	GE	On-Demand	Anodyne	EPHX2	38	45
COC(=O)N1CCC(NC(=O)NC[C@@](C)(COCc2ccccc2)OC)CC1	ZINC000852043706	GE	On-Demand	Anodyne	CCR8	51	39
COC(=O)N1CCC(NC(=O)NC[C@](C)(COCc2ccccc2)OC)CC1	ZINC000852043707	GE	On-Demand	Anodyne	SIGMAR1	15	40
COC(=O)N1CCC(NC(=O)NC[C@](C)(COCc2ccccc2)OC)CC1	ZINC000852043707	GE	On-Demand	Anodyne	EPHX2	38	45
COC(=O)N1CCC(NC(=O)NC[C@](C)(COCc2ccccc2)OC)CC1	ZINC000852043707	GE	On-Demand	Anodyne	CCR8	51	39
COC(=O)N1CCC(NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852043728	FD	On-Demand	Anodyne	DRD2	23	42
COC(=O)N1CCC(NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852043728	FD	On-Demand	Anodyne	DRD3	18	41
COC(=O)N1CCC(NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852043728	FD	On-Demand	Anodyne	EPHX2	61	43
COC(=O)N1CCC(NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852043728	FD	On-Demand	Anodyne	CCR8	37	42
C=CCCSCCNC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043757	DD	On-Demand	Mild	EPHX2	15	41
COC(=O)N1CCC(NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)CC1	ZINC000852043768	ED	On-Demand	Anodyne	EPHX2	26	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852043793	FD	On-Demand	Anodyne	DRD4	45	35
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852043793	FD	On-Demand	Anodyne	CCR3	15	40
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852043793	FD	On-Demand	Anodyne	MTNR1A	26	47
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852043793	FD	On-Demand	Anodyne	MTNR1B	20	47
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852043794	FD	On-Demand	Anodyne	DRD4	45	35
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852043794	FD	On-Demand	Anodyne	CCR3	15	40
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852043794	FD	On-Demand	Anodyne	MTNR1A	26	47
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852043794	FD	On-Demand	Anodyne	MTNR1B	20	47
COC(=O)N1CCC(NC(=O)NCCc2nsc3ccccc23)CC1	ZINC000852043800	FE	On-Demand	Anodyne	CCR8	50	38
COC[C@@H](CCNC(=O)NC1CCN(C(=O)OC)CC1)OC	ZINC000852043807	DC	On-Demand	Anodyne	EPHX2	22	44
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	DRD4	27	46
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	ACHE	30	44
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	HTR4	39	42
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	GRIN2B	21	44
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	LTA4H	16	42
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	SIGMAR1	32	46
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	SSTR5	77	39
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	CCR3	41	40
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	EPHX2	38	43
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	PDK1	50	43
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	MCHR1	48	46
COC(=O)N1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1	ZINC000852043811	GD	On-Demand	Anodyne	CACNA1I	64	42
CO[C@@H](CN1CC(O)(c2ccccc2)C1)C1CCCC1	ZINC000852043855	CE	On-Demand	Anodyne	OPRL1	15	43
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CCc1ccc(C#N)cc1	ZINC000852043888	GF	On-Demand	Mild	GPR119	25	47
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CCc1ccc(C#N)cc1	ZINC000852043889	GF	On-Demand	Mild	GPR119	25	47
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1cccc(F)n1	ZINC000852043894	FE	On-Demand	Anodyne	GPR119	27	41
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1cccc(F)n1	ZINC000852043895	FE	On-Demand	Anodyne	GPR119	27	41
COC(=O)N1CCC(NC(=O)NCCCOC(C)(C)C)CC1	ZINC000852043923	DD	On-Demand	Anodyne	EPHX2	31	51
COC(=O)N1CCC(NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1	ZINC000852043924	GC	On-Demand	Reactive	EPHX2	25	42
COC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852043963	FD	On-Demand	Anodyne	TRPV1	18	43
COC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852043963	FD	On-Demand	Anodyne	SCN2A	17	42
COC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852043963	FD	On-Demand	Anodyne	C3AR1	40	38
COC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852043963	FD	On-Demand	Anodyne	LIPA	43	31
COC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852043963	FD	On-Demand	Anodyne	EPHX2	54	43
COC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852043963	FD	On-Demand	Anodyne	SCN10A	19	42
COC(=O)N1CCC(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000852043973	GD	On-Demand	Anodyne	EPHX2	33	47
COC(=O)N1CCC(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1	ZINC000852043974	GD	On-Demand	Anodyne	EPHX2	33	47
COC(=O)N1CCC(NC(=O)NCCc2ccc(C)c(C)c2)CC1	ZINC000852043977	EE	On-Demand	Anodyne	EPHX2	43	45
COC(=O)N1CCC(NC(=O)NCCc2ccc(C)c(C)c2)CC1	ZINC000852043977	EE	On-Demand	Anodyne	MCHR1	19	42
C=CCOCCCNC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852043994	CD	On-Demand	Mild	EPHX2	28	50
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CC1	ZINC000852044002	FF	On-Demand	Anodyne	SIGMAR1	16	41
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CC1	ZINC000852044002	FF	On-Demand	Anodyne	EPHX2	54	53
C[C@@H]1C[C@H](c2ccccc2)N(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852044045	DE	On-Demand	Anodyne	AMY2	51	30
C[C@@H]1C[C@H](c2ccccc2)N(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852044046	DE	On-Demand	Anodyne	AMY2	51	30
COC(=O)N(C)CCNC(=O)NCCc1c(C)[nH]c2ccccc12	ZINC000852044050	EE	On-Demand	Anodyne	MTNR1A	21	42
COC(=O)N(C)CCNC(=O)NCCc1c(C)[nH]c2ccccc12	ZINC000852044050	EE	On-Demand	Anodyne	MTNR1B	18	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3c(C)[nH]c4ccccc34)C2)cc1	ZINC000852044076	GH	On-Demand	Clean	MTNR1A	54	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3c(C)[nH]c4ccccc34)C2)cc1	ZINC000852044076	GH	On-Demand	Clean	MTNR1B	47	44
COC(=O)N1CCC(NC(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852044128	FC	On-Demand	Anodyne	EPHX2	33	41
COC(=O)N1CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852044129	FC	On-Demand	Anodyne	EPHX2	33	41
COC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852044130	GD	On-Demand	Clean	MMP13	23	41
COC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852044130	GD	On-Demand	Clean	MTNR1B	17	51
COC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852044130	GD	On-Demand	Clean	EPHX2	42	51
COC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852044131	GD	On-Demand	Clean	MMP13	23	41
COC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852044131	GD	On-Demand	Clean	MTNR1B	17	51
COC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852044131	GD	On-Demand	Clean	EPHX2	42	51
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044139	GF	On-Demand	Anodyne	DRD2	17	42
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044139	GF	On-Demand	Anodyne	DRD3	22	42
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044139	GF	On-Demand	Anodyne	EPHX2	41	38
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044139	GF	On-Demand	Anodyne	CACNA1I	56	36
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044139	GF	On-Demand	Anodyne	CCR8	58	35
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044140	GF	On-Demand	Anodyne	DRD2	17	42
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044140	GF	On-Demand	Anodyne	DRD3	22	42
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044140	GF	On-Demand	Anodyne	EPHX2	41	38
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044140	GF	On-Demand	Anodyne	CACNA1I	56	36
COC(=O)N1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1	ZINC000852044140	GF	On-Demand	Anodyne	CCR8	58	35
COC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)CC1	ZINC000852044144	FE	On-Demand	Anodyne	CCR1	20	41
COC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)CC1	ZINC000852044144	FE	On-Demand	Anodyne	EPHX2	51	44
COC(=O)N1CCC(NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852044162	CD	On-Demand	Anodyne	EPHX2	39	44
COC(=O)N1CCC(NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852044163	CD	On-Demand	Anodyne	EPHX2	39	44
O=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1C=CCC1	ZINC000852044172	CD	On-Demand	Anodyne	DPP8	21	45
O=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C=CCC1	ZINC000852044173	CD	On-Demand	Anodyne	DPP8	21	45
COC(=O)N1CCC(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CC1	ZINC000852044181	EB	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CC1	ZINC000852044182	EB	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CC1	ZINC000852044183	EB	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CC1	ZINC000852044184	EB	On-Demand	Anodyne	EPHX2	19	41
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)CC1	ZINC000852044187	EE	On-Demand	Anodyne	SIGMAR1	15	45
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)CC1	ZINC000852044187	EE	On-Demand	Anodyne	EPHX2	56	53
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)CC1	ZINC000852044187	EE	On-Demand	Anodyne	CCR8	25	40
COC(=O)N1CCC(NC(=O)NCCC2(CSC)CC2)CC1	ZINC000852044200	EE	On-Demand	Anodyne	EPHX2	20	41
CCOC(=O)C1(S(C)(=O)=O)CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852044230	FD	On-Demand	Mild	PTAFR	40	42
CCOC(=O)C1(S(C)(=O)=O)CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852044231	FD	On-Demand	Mild	PTAFR	40	42
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN([C@@H](C#N)c3ccccc3)C2)CC1	ZINC000852044232	FF	On-Demand	Mild	PTAFR	38	43
CC(C)(C)OC(=O)N1CCN([C@H]2CCN([C@@H](C#N)c3ccccc3)C2)CC1	ZINC000852044233	FF	On-Demand	Mild	PTAFR	38	43
CC(C)(C)OC(=O)N1CCN([C@H]2CCN([C@H](C#N)c3ccccc3)C2)CC1	ZINC000852044234	FF	On-Demand	Mild	PTAFR	38	43
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN([C@H](C#N)c3ccccc3)C2)CC1	ZINC000852044235	FF	On-Demand	Mild	PTAFR	38	43
NC(=O)c1cccc(CCNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852044238	EC	On-Demand	Anodyne	ST14	59	34
NC(=O)c1cccc(CCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852044239	EC	On-Demand	Anodyne	ST14	59	34
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	HTR1A	68	46
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	DRD2	55	46
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	DRD4	34	47
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	ADRA1D	25	46
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	HTR2A	23	47
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	SLC6A4	23	44
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	ADRA1A	23	46
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	ADRA1B	19	46
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	DRD3	46	46
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	SLC6A3	38	44
Fc1ccccc1N1CCCN(CCOC(F)F)CC1	ZINC000852044245	CF	On-Demand	Anodyne	HTR7	33	42
Fc1ccccc1N1CCCN(Cc2cnon2)CC1	ZINC000852044264	CD	On-Demand	Anodyne	DRD4	31	47
COC(=O)N1CCC(NC(=O)NCC2(S(C)(=O)=O)CCCCC2)CC1	ZINC000852044417	GD	On-Demand	Anodyne	EPHX2	33	41
COC(=O)N1CCC(NC(=O)NC[C@@]2(C)CC2(F)F)CC1	ZINC000852044421	DD	On-Demand	Anodyne	EPHX2	40	43
COC(=O)N1CCC(NC(=O)NC[C@]2(C)CC2(F)F)CC1	ZINC000852044422	DD	On-Demand	Anodyne	EPHX2	40	43
COC(=O)N1CCC(NC(=O)NC2CCC3(CC2)CC3(F)F)CC1	ZINC000852044446	EE	On-Demand	Anodyne	EPHX2	34	51
COC(=O)N1CCC(NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852044447	ED	On-Demand	Anodyne	EPHX2	37	45
COC(=O)N1CCC(NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852044448	ED	On-Demand	Anodyne	EPHX2	37	45
COC(=O)N1CCC(NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)CC1	ZINC000852044459	FD	On-Demand	Anodyne	PYGL	33	48
COC(=O)N1CCC(NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)CC1	ZINC000852044459	FD	On-Demand	Anodyne	PYGM	30	48
COC(=O)N1CCC(NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)CC1	ZINC000852044459	FD	On-Demand	Anodyne	EPHX2	36	40
COC(=O)N1CCC(NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)CC1	ZINC000852044460	FD	On-Demand	Anodyne	PYGL	33	48
COC(=O)N1CCC(NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)CC1	ZINC000852044460	FD	On-Demand	Anodyne	PYGM	30	48
COC(=O)N1CCC(NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)CC1	ZINC000852044460	FD	On-Demand	Anodyne	EPHX2	36	40
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)CC1	ZINC000852044461	DD	On-Demand	Anodyne	EPHX2	22	42
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]23)CC1	ZINC000852044462	DD	On-Demand	Anodyne	EPHX2	22	42
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)CC1	ZINC000852044463	DD	On-Demand	Anodyne	EPHX2	22	42
COC(=O)N1CCC(NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CC1	ZINC000852044464	DD	On-Demand	Anodyne	EPHX2	22	42
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852044467	EE	On-Demand	Anodyne	DRD4	17	42
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852044467	EE	On-Demand	Anodyne	SIGMAR1	19	41
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852044467	EE	On-Demand	Anodyne	EPHX2	87	49
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852044467	EE	On-Demand	Anodyne	CCR8	39	41
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	OPRK1	23	48
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	SIGMAR1	28	50
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	P2RX7	26	47
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	CCR1	18	44
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	CCR3	44	39
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	UTS2R	24	42
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	SSTR3	15	43
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	EPHX2	63	51
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	PDK1	46	34
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	MCHR1	23	49
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	DNAE	77	32
COC(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852044481	FG	On-Demand	Anodyne	RPA1	52	34
COC(=O)N1CCC(NC(=O)NCc2cccc(OC3CC3)c2F)CC1	ZINC000852044494	FE	On-Demand	Anodyne	EPHX2	72	39
COC(=O)N1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852044501	ED	On-Demand	Mild	EPHX2	36	46
O[C@H](CN1CCCN(c2ccccc2F)CC1)c1ccccn1	ZINC000852044569	DE	On-Demand	Anodyne	HTR1A	20	44
O[C@H](CN1CCCN(c2ccccc2F)CC1)c1ccccn1	ZINC000852044569	DE	On-Demand	Anodyne	DRD4	30	44
O[C@H](CN1CCCN(c2ccccc2F)CC1)c1ccccn1	ZINC000852044569	DE	On-Demand	Anodyne	DRD3	18	47
O[C@@H](CN1CCCN(c2ccccc2F)CC1)c1ccccn1	ZINC000852044571	DE	On-Demand	Anodyne	HTR1A	20	44
O[C@@H](CN1CCCN(c2ccccc2F)CC1)c1ccccn1	ZINC000852044571	DE	On-Demand	Anodyne	DRD4	30	44
O[C@@H](CN1CCCN(c2ccccc2F)CC1)c1ccccn1	ZINC000852044571	DE	On-Demand	Anodyne	DRD3	18	47
CO[C@@H](C)CN(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852044608	CC	On-Demand	Anodyne	AMY2	54	32
CO[C@@H](C)CN(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852044612	CC	On-Demand	Anodyne	AMY2	54	32
CCOC(=O)C1(S(C)(=O)=O)CCN(CCOCc2ccccc2)CC1	ZINC000852044632	FD	On-Demand	Anodyne	MMP13	17	42
CCOC(=O)C1(S(C)(=O)=O)CCN(CCOCc2ccccc2)CC1	ZINC000852044632	FD	On-Demand	Anodyne	SLC12A5	71	38
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	HTR1A	86	46
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	DRD2	71	46
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	DRD4	39	42
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	ADRA1D	35	44
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	HTR2A	35	42
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	ADRA1A	32	44
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	ADRA1B	28	44
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	DRD3	72	44
C#CCOCCN1CCCN(c2ccccc2F)CC1	ZINC000852044667	CD	On-Demand	Mild	HTR7	55	42
COCCN(CCF)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000852044673	GE	On-Demand	Anodyne	CASR	49	38
COCCN(CCF)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000852044675	GE	On-Demand	Anodyne	CASR	49	38
C#CCN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852044715	EF	On-Demand	Mild	SIGMAR1	19	43
C#CCN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852044716	EF	On-Demand	Mild	SIGMAR1	19	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000852044717	FE	On-Demand	Anodyne	SFRP1	84	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000852044717	FE	On-Demand	Anodyne	WNT3	63	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000852044718	FE	On-Demand	Anodyne	SFRP1	84	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000852044718	FE	On-Demand	Anodyne	WNT3	63	37
COc1ccc(N2CC[C@H](NC(=O)NCCCc3nc(C)no3)C2)cc1	ZINC000852044738	FD	On-Demand	Clean	MTNR1A	18	41
COc1ccc(N2CC[C@H](NC(=O)NCCCc3nc(C)no3)C2)cc1	ZINC000852044738	FD	On-Demand	Clean	MTNR1B	18	41
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	HTR1A	101	50
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	DRD2	87	51
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	DRD1	28	50
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	DRD4	50	41
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	ADRA1D	44	50
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	HTR2A	47	51
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	HTR2C	20	47
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	SLC6A4	16	51
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	ADRA1A	40	49
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	HRH1	17	46
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	ADRA1B	32	50
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	DRD3	90	44
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	HTR7	70	40
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	HRH3	19	41
C#CCOCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852044747	CF	On-Demand	Mild	SIGMAR1	19	51
C#C[C@H](NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852044754	FE	On-Demand	Mild	DRD4	42	33
C#C[C@@H](NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852044756	FE	On-Demand	Mild	DRD4	42	33
C#C[C@@H](NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852044758	FE	On-Demand	Mild	DRD4	42	33
C#C[C@H](NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852044760	FE	On-Demand	Mild	DRD4	42	33
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852044762	FE	On-Demand	Anodyne	DRD4	44	35
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852044762	FE	On-Demand	Anodyne	MTNR1B	15	46
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852044762	FE	On-Demand	Anodyne	ACKR3	63	32
COCCN(CCF)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852044764	FE	On-Demand	Anodyne	DRD4	44	35
COCCN(CCF)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852044764	FE	On-Demand	Anodyne	MTNR1B	15	46
COCCN(CCF)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852044764	FE	On-Demand	Anodyne	ACKR3	63	32
COC(=O)N1CCC(NC(=O)NCC2SCCS2)CC1	ZINC000852044772	DD	On-Demand	Anodyne	EPHX2	36	41
CC(C)(C)OC(=O)NCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852044777	FF	On-Demand	Anodyne	NQO2	33	53
CC(C)(C)OC(=O)NCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852044777	FF	On-Demand	Anodyne	MTNR1A	43	46
CC(C)(C)OC(=O)NCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852044777	FF	On-Demand	Anodyne	MTNR1B	28	46
N#Cc1ccc(CCN2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1	ZINC000852044789	FE	On-Demand	Mild	HRH3	26	43
N#Cc1ccc(CCN2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1	ZINC000852044791	FE	On-Demand	Mild	HRH3	26	43
N#Cc1ccc(CCN2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1	ZINC000852044793	FE	On-Demand	Mild	HRH3	26	43
N#Cc1ccc(CCN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1	ZINC000852044795	FE	On-Demand	Mild	HRH3	26	43
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1nc(O)n[nH]1)c1ccccc1	ZINC000852044801	EC	On-Demand	Anodyne	CPT1A	70	40
NC(=O)[C@](O)(CN1CCCC[C@H]1c1nc(O)n[nH]1)c1ccccc1	ZINC000852044803	EC	On-Demand	Anodyne	CPT1A	70	40
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1nc(O)n[nH]1)c1ccccc1	ZINC000852044805	EC	On-Demand	Anodyne	CPT1A	70	40
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1nc(O)n[nH]1)c1ccccc1	ZINC000852044807	EC	On-Demand	Anodyne	CPT1A	70	40
COC(=O)N1CCC(NC(=O)NCc2nccc(OC)c2F)CC1	ZINC000852044815	ED	On-Demand	Anodyne	EPHX2	42	38
COC(=O)N1CCC(NC(=O)N[C@H](C)Cc2ccc(F)cc2C)CC1	ZINC000852044817	FF	On-Demand	Anodyne	CCR3	40	32
COC(=O)N1CCC(NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)CC1	ZINC000852044819	FF	On-Demand	Anodyne	CCR3	40	32
COC(=O)N1CCC(NC(=O)N2CCc3ccc(C)cc3C2)CC1	ZINC000852044821	EE	On-Demand	Anodyne	EPHX2	18	40
CC[C@@H](C)CCNC(=O)NCCNC(=O)OC(C)(C)C	ZINC000852044836	CE	On-Demand	Anodyne	CTSK	18	45
Cn1cc(CCNC(=O)NCCNC(=O)OC(C)(C)C)c2ccccc21	ZINC000852044860	FF	On-Demand	Anodyne	NQO2	25	46
Cn1cc(CCNC(=O)NCCNC(=O)OC(C)(C)C)c2ccccc21	ZINC000852044860	FF	On-Demand	Anodyne	MTNR1A	22	46
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H](C)n3ncnc32)CC1	ZINC000852044872	DC	On-Demand	Anodyne	EPHX2	28	40
COC(=O)N1CCC(NC(=O)N[C@H]2C[C@@H](C)n3ncnc32)CC1	ZINC000852044874	DC	On-Demand	Anodyne	EPHX2	28	40
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)CC1	ZINC000852044876	DC	On-Demand	Anodyne	EPHX2	28	40
COc1cccc([C@]2(C)CCN(C(=O)NCCNC(=O)OC(C)(C)C)C2)c1	ZINC000852044877	GF	On-Demand	Anodyne	DRD4	45	35
COc1cccc([C@]2(C)CCN(C(=O)NCCNC(=O)OC(C)(C)C)C2)c1	ZINC000852044877	GF	On-Demand	Anodyne	MTNR1A	40	37
COC(=O)N1CCC(NC(=O)N[C@H]2C[C@H](C)n3ncnc32)CC1	ZINC000852044878	DC	On-Demand	Anodyne	EPHX2	28	40
COC(=O)N1CCC(NC(=O)N[C@H]2COC(C)(C)C2)CC1	ZINC000852044879	CD	On-Demand	Anodyne	EPHX2	27	52
COC(=O)N1CCC(NC(=O)N[C@@H]2COC(C)(C)C2)CC1	ZINC000852044880	CD	On-Demand	Anodyne	EPHX2	27	52
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852044881	CE	On-Demand	Anodyne	EPHX2	33	49
O=C(NCC(=O)N1CCc2ccccc2C1)NCC1SCCS1	ZINC000852044891	FD	On-Demand	Anodyne	DPP8	22	47
N#Cc1ccc(OC2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)c(F)c1	ZINC000852044892	GD	On-Demand	Mild	MEN1	42	38
N#Cc1ccc(OC2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)c(F)c1	ZINC000852044893	GD	On-Demand	Mild	MEN1	42	38
CO[C@@H]1CC[C@@H](N2CCC(Oc3ccc(C#N)cc3F)CC2)C1	ZINC000852044894	DG	On-Demand	Mild	DCK	29	41
COC(=O)N1CCC(NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)CC1	ZINC000852044916	GE	On-Demand	Anodyne	EPHX2	33	45
COC(=O)N1CCC(NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)CC1	ZINC000852044916	GE	On-Demand	Anodyne	PDK1	53	39
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC[C@H](O)c1ccccn1	ZINC000852044931	EF	On-Demand	Anodyne	GPR119	25	42
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC[C@@H](O)c1ccccn1	ZINC000852044932	EF	On-Demand	Anodyne	GPR119	25	42
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC[C@@H](O)c1ccccn1	ZINC000852044933	EF	On-Demand	Anodyne	GPR119	25	42
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC[C@H](O)c1ccccn1	ZINC000852044934	EF	On-Demand	Anodyne	GPR119	25	42
C#CCN(Cc1ccccc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1	ZINC000852044966	EG	On-Demand	Mild	DPP7	15	40
O=C(CN1CCCN(c2ccccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852044967	FG	On-Demand	Anodyne	DRD2	38	49
O=C(CN1CCCN(c2ccccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852044967	FG	On-Demand	Anodyne	DRD4	48	43
O=C(CN1CCCN(c2ccccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852044967	FG	On-Demand	Anodyne	ADRA1A	17	41
O=C(CN1CCCN(c2ccccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852044967	FG	On-Demand	Anodyne	DRD3	54	40
O=C(CN1CCCN(c2ccccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852044967	FG	On-Demand	Anodyne	KCNQ2	53	38
O=C(CN1CCCN(c2ccccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852044967	FG	On-Demand	Anodyne	NPY2R	63	39
O=C(CN1CCCN(c2ccccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852044967	FG	On-Demand	Anodyne	SLC27A1	68	40
C#CCN(Cc1ccccc1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1	ZINC000852044968	EG	On-Demand	Mild	DPP7	15	40
COc1ccc(N2CC[C@H](NC(=O)NCCCc3cnn(C)c3)C2)cc1	ZINC000852044989	FD	On-Demand	Clean	MTNR1A	19	42
COc1ccc(N2CC[C@H](NC(=O)NCCCc3cnn(C)c3)C2)cc1	ZINC000852044989	FD	On-Demand	Clean	MTNR1B	18	42
NC(=O)[C@@](O)(CN1CCC[C@H]1COC(=O)NC1CCCCC1)c1ccccc1	ZINC000852045028	GD	On-Demand	Anodyne	AMY2	44	30
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CC(=O)Nc3cnccn3)C2)CC1	ZINC000852045029	GD	On-Demand	Anodyne	GPR119	40	48
NC(=O)[C@](O)(CN1CCC[C@@H]1COC(=O)NC1CCCCC1)c1ccccc1	ZINC000852045030	GD	On-Demand	Anodyne	AMY2	44	30
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CC(=O)Nc3cnccn3)C2)CC1	ZINC000852045031	GD	On-Demand	Anodyne	GPR119	40	48
NC(=O)[C@](O)(CN1CCC[C@H]1COC(=O)NC1CCCCC1)c1ccccc1	ZINC000852045032	GD	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@@](O)(CN1CCC[C@@H]1COC(=O)NC1CCCCC1)c1ccccc1	ZINC000852045034	GD	On-Demand	Anodyne	AMY2	44	30
CC(C)(C)OC(=O)NCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852045117	GG	On-Demand	Anodyne	SCD1	18	40
CC(C)(C)OC(=O)NCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852045117	GG	On-Demand	Anodyne	SCD	25	40
CC(C)(C)OC(=O)NCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852045117	GG	On-Demand	Anodyne	TRPM8	29	53
CC(C)(C)OC(=O)NCCNC(=O)NCCc1ccc(C#N)cc1	ZINC000852045152	ED	On-Demand	Mild	PAPA1_CARPA	35	40
CC(C)(C)OC(=O)NCCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852045201	GG	On-Demand	Anodyne	KCNH2	43	41
CC(C)(C)OC(=O)NCCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852045201	GG	On-Demand	Anodyne	GLRA1	41	31
CC[C@@H](C)CCNC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852045202	CD	On-Demand	Anodyne	EPHX2	27	47
COC(=O)N1CCC(NC(=O)NCCO[C@H]2CC2(F)F)CC1	ZINC000852045210	DC	On-Demand	Anodyne	EPHX2	33	43
COC(=O)N1CCC(NC(=O)NCCO[C@@H]2CC2(F)F)CC1	ZINC000852045212	DC	On-Demand	Anodyne	EPHX2	33	43
O[C@@H](CN1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1ccccn1	ZINC000852045214	GH	On-Demand	Anodyne	DRD3	18	41
O[C@H](CN1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1)c1ccccn1	ZINC000852045216	GH	On-Demand	Anodyne	DRD3	18	41
COC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852045227	FE	On-Demand	Anodyne	MTNR1A	35	44
COC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852045227	FE	On-Demand	Anodyne	MTNR1B	24	44
COC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852045227	FE	On-Demand	Anodyne	HNMT	46	35
COC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852045227	FE	On-Demand	Anodyne	EPHX2	35	43
COC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852045227	FE	On-Demand	Anodyne	CCR8	53	39
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852045228	GF	On-Demand	Anodyne	DRD2	21	56
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852045228	GF	On-Demand	Anodyne	ACACB	16	45
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852045228	GF	On-Demand	Anodyne	CACNA1I	65	38
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852045231	GF	On-Demand	Anodyne	DRD2	21	56
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852045231	GF	On-Demand	Anodyne	ACACB	16	45
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852045231	GF	On-Demand	Anodyne	CACNA1I	65	38
O=C1CC[C@H](CN2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)O1	ZINC000852045244	FG	On-Demand	Anodyne	LIPG	47	33
O=C1CC[C@@H](CN2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)O1	ZINC000852045246	FG	On-Demand	Anodyne	LIPG	47	33
COC(=O)N1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852045247	FE	On-Demand	Anodyne	DRD4	23	43
COC(=O)N1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852045247	FE	On-Demand	Anodyne	SIGMAR1	18	48
COC(=O)N1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852045247	FE	On-Demand	Anodyne	EPHX2	37	41
COC(=O)N1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852045247	FE	On-Demand	Anodyne	CCR8	90	40
COC(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852045248	FE	On-Demand	Anodyne	DRD4	23	43
COC(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852045248	FE	On-Demand	Anodyne	SIGMAR1	18	48
COC(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852045248	FE	On-Demand	Anodyne	EPHX2	37	41
COC(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852045248	FE	On-Demand	Anodyne	CCR8	90	40
NC(=O)[C@](O)(CN1CCC2(CCC2)CC1)c1ccccc1	ZINC000852045261	CD	On-Demand	Anodyne	CHRM2	16	42
NC(=O)[C@@](O)(CN1CCC2(CCC2)CC1)c1ccccc1	ZINC000852045262	CD	On-Demand	Anodyne	CHRM2	16	42
COC(=O)N1CCC(NC(=O)NCC2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000852045274	EF	On-Demand	Anodyne	EPHX2	34	40
COC(=O)N1CCC(NC(=O)NCC2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000852045275	EF	On-Demand	Anodyne	EPHX2	34	40
COC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	ZINC000852045276	EF	On-Demand	Anodyne	EPHX2	34	40
COC(=O)N1CCC(NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852045279	EE	On-Demand	Anodyne	MCHR1	17	49
COC(=O)N1CCC(NC(=O)NCc2ccc(-c3cccs3)cc2)CC1	ZINC000852045290	FG	On-Demand	Anodyne	HDAC1	15	44
COC(=O)N1CCC(NC(=O)NCc2ccc(-c3cccs3)cc2)CC1	ZINC000852045290	FG	On-Demand	Anodyne	EPHX2	41	38
N#Cc1ccc(OC2CCN(Cc3cccc(F)n3)CC2)c(F)c1	ZINC000852045293	EG	On-Demand	Mild	SCN5A	63	35
COC(=O)N1CCC(NC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000852045308	GE	On-Demand	Anodyne	EPHX2	31	40
COC(=O)N1CCC(NC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000852045309	GE	On-Demand	Anodyne	EPHX2	31	40
CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2cccc(OC)c2Cl)CC1	ZINC000852045428	GE	On-Demand	Anodyne	CCR8	37	41
CCOC(=O)C1(S(C)(=O)=O)CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852045430	FD	On-Demand	Mild	MMP13	16	44
CCOC(=O)C1(S(C)(=O)=O)CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852045430	FD	On-Demand	Mild	KCNJ1	38	50
CC(C)(C)OC(=O)N1CCN([C@H]2CCN([C@@H]3CCCC[C@H]3O)C2)CC1	ZINC000852045458	FD	On-Demand	Anodyne	SLC18A3	28	40
CC(C)(C)OC(=O)N1CCN([C@H]2CCN([C@@H]3CCCC[C@H]3O)C2)CC1	ZINC000852045458	FD	On-Demand	Anodyne	GPR119	46	43
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3cccc(F)n3)C2)CC1	ZINC000852045462	FE	On-Demand	Anodyne	GPR119	48	41
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3cccc(F)n3)C2)CC1	ZINC000852045463	FE	On-Demand	Anodyne	GPR119	48	41
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3cccc(N)c3)C2)CC1	ZINC000852045464	FE	On-Demand	Anodyne	DRD4	23	40
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3cccc(N)c3)C2)CC1	ZINC000852045464	FE	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3cccc(N)c3)C2)CC1	ZINC000852045465	FE	On-Demand	Anodyne	DRD4	23	40
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3cccc(N)c3)C2)CC1	ZINC000852045465	FE	On-Demand	Anodyne	GPR119	41	42
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045470	FF	On-Demand	Anodyne	HTR1A	49	39
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045470	FF	On-Demand	Anodyne	DRD2	44	43
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045470	FF	On-Demand	Anodyne	ADRA1D	31	43
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045470	FF	On-Demand	Anodyne	HTR2A	18	41
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045470	FF	On-Demand	Anodyne	ADRA1A	28	43
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045470	FF	On-Demand	Anodyne	DRD3	48	43
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045470	FF	On-Demand	Anodyne	KCNQ2	43	37
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045470	FF	On-Demand	Anodyne	ABCB1	41	39
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045471	FF	On-Demand	Anodyne	HTR1A	49	39
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045471	FF	On-Demand	Anodyne	DRD2	44	43
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045471	FF	On-Demand	Anodyne	ADRA1D	31	43
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045471	FF	On-Demand	Anodyne	HTR2A	18	41
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045471	FF	On-Demand	Anodyne	ADRA1A	28	43
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045471	FF	On-Demand	Anodyne	DRD3	48	43
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045471	FF	On-Demand	Anodyne	KCNQ2	43	37
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2F)CC1	ZINC000852045471	FF	On-Demand	Anodyne	ABCB1	41	39
C#CCOCCN1CCC[C@H](Oc2ccccc2OC)C1	ZINC000852045483	CE	On-Demand	Mild	SLC6A1	86	40
C#CCOCCN1CCC[C@@H](Oc2ccccc2OC)C1	ZINC000852045484	CE	On-Demand	Mild	SLC6A1	86	40
CN(C)C(=O)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045501	DF	On-Demand	Anodyne	FKBP1A	40	40
CN(C)C(=O)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045501	DF	On-Demand	Anodyne	CTRA_BOVIN	50	32
CN(C)C(=O)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045501	DF	On-Demand	Anodyne	CTSG	40	32
CN(C)C(=O)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045501	DF	On-Demand	Anodyne	PREP	48	39
CN(C)C(=O)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045501	DF	On-Demand	Anodyne	AMY2	44	31
CN(C)C(=O)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045501	DF	On-Demand	Anodyne	CELA2A	40	32
CN(C)C(=O)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045501	DF	On-Demand	Anodyne	SLC12A5	60	36
CN(C)C(=O)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045502	DF	On-Demand	Anodyne	FKBP1A	40	40
CN(C)C(=O)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045502	DF	On-Demand	Anodyne	CTRA_BOVIN	50	32
CN(C)C(=O)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045502	DF	On-Demand	Anodyne	CTSG	40	32
CN(C)C(=O)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045502	DF	On-Demand	Anodyne	PREP	48	39
CN(C)C(=O)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045502	DF	On-Demand	Anodyne	AMY2	44	31
CN(C)C(=O)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045502	DF	On-Demand	Anodyne	CELA2A	40	32
CN(C)C(=O)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045502	DF	On-Demand	Anodyne	SLC12A5	60	36
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	HTR1A	77	51
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	DRD2	70	51
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	DRD1	20	48
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	DRD4	41	45
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	ADRA1D	31	51
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	HTR2A	38	51
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	HTR2C	17	45
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	SLC6A4	29	49
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	ADRA1A	30	50
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	ADRA1B	24	51
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	DRD3	68	45
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	SLC6A3	34	51
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	HTR7	43	39
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	SIGMAR1	17	51
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	NOX1	47	32
FC(F)OCCN1CCCN(c2ccccc2Cl)CC1	ZINC000852045522	DG	On-Demand	Anodyne	NOX5	44	32
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852045537	GE	On-Demand	Anodyne	DRD4	22	40
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852045537	GE	On-Demand	Anodyne	ACHE	42	50
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852045537	GE	On-Demand	Anodyne	HTR4	41	43
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852045537	GE	On-Demand	Anodyne	SIGMAR1	28	44
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852045537	GE	On-Demand	Anodyne	SSTR5	54	38
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852045537	GE	On-Demand	Anodyne	CCR3	33	41
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852045537	GE	On-Demand	Anodyne	CACNA1I	80	43
CC(C)(C)OC(=O)NCCNC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852045543	FD	On-Demand	Anodyne	PAPA1_CARPA	29	41
CC(C)(C)OC(=O)NCCNC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852045544	FD	On-Demand	Anodyne	PAPA1_CARPA	29	41
CC(C)(C)OC(=O)NCCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852045548	FG	On-Demand	Anodyne	DNAE	83	34
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCCNC(=O)OC(C)(C)C	ZINC000852045560	GG	On-Demand	Anodyne	MDM2	96	38
CC(C)(C)OC(=O)NCCNC(=O)N1CCC(C2CCC2)CC1	ZINC000852045613	EF	On-Demand	Anodyne	GPR119	15	41
COC(=O)N1CCC(NC(=O)NCCS(=O)(=O)CC(F)(F)F)CC1	ZINC000852045617	GC	On-Demand	Anodyne	EPHX2	32	41
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852045622	FE	On-Demand	Anodyne	CCR2	49	40
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852045622	FE	On-Demand	Anodyne	EPHX2	48	48
COC(=O)N1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852045622	FE	On-Demand	Anodyne	MCHR1	16	44
COC(=O)N1CCC(NC(=O)N[C@H]2CCN(C3CCCCC3)C2)CC1	ZINC000852045647	FD	On-Demand	Anodyne	EPHX2	32	54
COC(=O)N1CCC(NC(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1	ZINC000852045648	FD	On-Demand	Anodyne	EPHX2	32	54
COC(=O)N1CCC(NC(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852045652	FD	On-Demand	Anodyne	EPHX2	56	45
COC(=O)N1CCC(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC1	ZINC000852045659	GG	On-Demand	Anodyne	CHRM1	16	40
COC(=O)N1CCC(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC1	ZINC000852045659	GG	On-Demand	Anodyne	KCNH2	40	39
COC(=O)N1CCC(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC1	ZINC000852045659	GG	On-Demand	Anodyne	EPHX2	53	47
COC(=O)N1CCC(NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC1	ZINC000852045659	GG	On-Demand	Anodyne	GLRA1	41	31
COC(=O)N1CCC(NC(=O)NCCC2(CS(C)(=O)=O)CC2)CC1	ZINC000852045661	FC	On-Demand	Anodyne	EPHX2	22	41
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1	ZINC000852045675	FF	On-Demand	Anodyne	EPHX2	19	42
COC(=O)N1CCC(NC(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1	ZINC000852045676	FF	On-Demand	Anodyne	EPHX2	19	42
COC(=O)N1CCC(NC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1	ZINC000852045677	FF	On-Demand	Anodyne	EPHX2	19	42
COC(=O)N1CCC(NC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1	ZINC000852045678	FF	On-Demand	Anodyne	EPHX2	19	42
COC(=O)N1CCC(NC(=O)N2CC[C@H](C3CCCCC3)C2)CC1	ZINC000852045682	EF	On-Demand	Anodyne	EPHX2	34	48
COC(=O)N1CCC(NC(=O)N2CC[C@@H](C3CCCCC3)C2)CC1	ZINC000852045683	EF	On-Demand	Anodyne	EPHX2	34	48
COC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852045688	FG	On-Demand	Anodyne	SIGMAR1	15	41
COC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852045688	FG	On-Demand	Anodyne	CCR1	19	46
COC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852045688	FG	On-Demand	Anodyne	EPHX2	50	51
COC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852045688	FG	On-Demand	Anodyne	CACNA1I	64	36
COC(=O)N1CCC(NC(=O)N[C@H](c2ccccc2F)C(C)C)CC1	ZINC000852045689	FG	On-Demand	Anodyne	EPHX2	41	38
COC(=O)N1CCC(NC(=O)N[C@@H](c2ccccc2F)C(C)C)CC1	ZINC000852045690	FG	On-Demand	Anodyne	EPHX2	41	38
CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(C(=O)OC)CC2)C1	ZINC000852045691	CD	On-Demand	Anodyne	EPHX2	44	48
C=CCCNC(=O)NC1CCN(C(=O)OC)CC1	ZINC000852045701	CD	On-Demand	Mild	EPHX2	27	46
COC(=O)N1CCC(NC(=O)NCC[C@]2(C)CC2(F)F)CC1	ZINC000852045702	DD	On-Demand	Anodyne	EPHX2	27	45
COC(=O)N1CCC(NC(=O)NCC[C@@]2(C)CC2(F)F)CC1	ZINC000852045703	DD	On-Demand	Anodyne	EPHX2	27	45
COC(=O)N1CCC(NC(=O)N[C@H](C)COc2c(F)cccc2F)CC1	ZINC000852045708	FE	On-Demand	Anodyne	EPHX2	42	39
COC(=O)N1CCC(NC(=O)N[C@@H](C)COc2c(F)cccc2F)CC1	ZINC000852045710	FE	On-Demand	Anodyne	EPHX2	42	39
COCCN(CCF)C(=O)NCCc1c(C)[nH]c2ccccc12	ZINC000852045810	DF	On-Demand	Anodyne	GNRHR	24	41
O=C(CNC(=O)N1CC[C@H](N2CCOC2=O)C1)N1CCc2ccccc2C1	ZINC000852045825	FC	On-Demand	Anodyne	DPP8	15	42
O=C(CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)N1CCc2ccccc2C1	ZINC000852045826	FC	On-Demand	Anodyne	DPP8	15	42
O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045835	FF	On-Demand	Anodyne	CTRA_BOVIN	60	32
O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045835	FF	On-Demand	Anodyne	CTSG	41	32
O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045835	FF	On-Demand	Anodyne	CELA2A	49	32
O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045836	FF	On-Demand	Anodyne	CTRA_BOVIN	60	32
O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045836	FF	On-Demand	Anodyne	CTSG	41	32
O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852045836	FF	On-Demand	Anodyne	CELA2A	49	32
O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045837	FF	On-Demand	Anodyne	CTRA_BOVIN	60	32
O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045837	FF	On-Demand	Anodyne	CTSG	41	32
O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045837	FF	On-Demand	Anodyne	CELA2A	49	32
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045838	FF	On-Demand	Anodyne	CTRA_BOVIN	60	32
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045838	FF	On-Demand	Anodyne	CTSG	41	32
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852045838	FF	On-Demand	Anodyne	CELA2A	49	32
Fc1ccccc1N1CCCN(CCn2cnc(Br)n2)CC1	ZINC000852045858	FE	On-Demand	Anodyne	HTR1A	27	46
Fc1ccccc1N1CCCN(CCn2cnc(Br)n2)CC1	ZINC000852045858	FE	On-Demand	Anodyne	DRD2	21	46
Fc1ccccc1N1CCCN(CCn2cnc(Br)n2)CC1	ZINC000852045858	FE	On-Demand	Anodyne	DRD4	20	41
Fc1ccccc1N1CCCN(CCn2cnc(Br)n2)CC1	ZINC000852045858	FE	On-Demand	Anodyne	ADRA1D	17	46
Fc1ccccc1N1CCCN(CCn2cnc(Br)n2)CC1	ZINC000852045858	FE	On-Demand	Anodyne	ADRA1B	16	46
Fc1ccccc1N1CCCN(CCn2cnc(Br)n2)CC1	ZINC000852045858	FE	On-Demand	Anodyne	DRD3	20	46
Cn1cnc(CN2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1	ZINC000852045873	ED	On-Demand	Anodyne	GPR119	44	42
Cn1cnc(CN2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1	ZINC000852045874	ED	On-Demand	Anodyne	GPR119	44	42
NC(=O)c1cccc(CCNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852045893	FC	On-Demand	Anodyne	ST14	63	33
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852045926	FD	On-Demand	Anodyne	CACNA1I	60	39
CCOC(=O)C1(S(C)(=O)=O)CCN(CCc2nsc3ccccc23)CC1	ZINC000852045947	GE	On-Demand	Anodyne	DRD2	22	42
NC(=O)c1cccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852045992	GD	On-Demand	Clean	STAT6	26	41
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852046000	FF	On-Demand	Anodyne	PAPA1_CARPA	29	41
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852046000	FF	On-Demand	Anodyne	FPR1	43	34
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852046002	FF	On-Demand	Anodyne	PAPA1_CARPA	29	41
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852046002	FF	On-Demand	Anodyne	FPR1	43	34
CCOC(=O)C1(S(C)(=O)=O)CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852046018	GF	On-Demand	Anodyne	SIGMAR1	19	46
CCOC(=O)C1(S(C)(=O)=O)CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852046018	GF	On-Demand	Anodyne	EBP	29	46
CCOC(=O)C1(S(C)(=O)=O)CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852046021	GF	On-Demand	Anodyne	SIGMAR1	19	46
CCOC(=O)C1(S(C)(=O)=O)CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852046021	GF	On-Demand	Anodyne	EBP	29	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(C(N)=O)c3)C2)cc1	ZINC000852046197	GD	On-Demand	Clean	DRD4	46	37
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(C(N)=O)c3)C2)cc1	ZINC000852046197	GD	On-Demand	Clean	MTNR1A	50	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(C(N)=O)c3)C2)cc1	ZINC000852046197	GD	On-Demand	Clean	MTNR1B	40	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(C(N)=O)c3)C2)cc1	ZINC000852046197	GD	On-Demand	Clean	MCHR1	23	45
CC(C)(C)OC(=O)NCCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852046200	EE	On-Demand	Anodyne	EPHX2	28	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCCNC(=O)OC(C)(C)C	ZINC000852046202	FF	On-Demand	Anodyne	PAPA1_CARPA	30	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCCNC(=O)OC(C)(C)C	ZINC000852046204	FF	On-Demand	Anodyne	PAPA1_CARPA	30	40
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCOCc3ccccc3)C2)CC1	ZINC000852046241	GF	On-Demand	Anodyne	SLC6A1	40	37
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCOCc3ccccc3)C2)CC1	ZINC000852046241	GF	On-Demand	Anodyne	SIGMAR1	21	41
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCOCc3ccccc3)C2)CC1	ZINC000852046241	GF	On-Demand	Anodyne	GPR119	40	38
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCOCc3ccccc3)C2)CC1	ZINC000852046243	GF	On-Demand	Anodyne	SLC6A1	40	37
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCOCc3ccccc3)C2)CC1	ZINC000852046243	GF	On-Demand	Anodyne	SIGMAR1	21	41
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCOCc3ccccc3)C2)CC1	ZINC000852046243	GF	On-Demand	Anodyne	GPR119	40	38
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCc3ccc(C#N)cc3)C2)CC1	ZINC000852046252	GF	On-Demand	Mild	GPR119	39	48
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCc3ccc(C#N)cc3)C2)CC1	ZINC000852046252	GF	On-Demand	Mild	L3MBTL3	32	45
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCc3ccc(C#N)cc3)C2)CC1	ZINC000852046252	GF	On-Demand	Mild	KCNJ1	20	43
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCc3ccc(C#N)cc3)C2)CC1	ZINC000852046253	GF	On-Demand	Mild	GPR119	39	48
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCc3ccc(C#N)cc3)C2)CC1	ZINC000852046253	GF	On-Demand	Mild	L3MBTL3	32	45
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCc3ccc(C#N)cc3)C2)CC1	ZINC000852046253	GF	On-Demand	Mild	KCNJ1	20	43
CC(C)(C)OC(=O)NCCNC(=O)N(Cc1ccccc1F)CC1CC1	ZINC000852046262	FG	On-Demand	Anodyne	PAPA1_CARPA	18	42
O=C(NCC1(c2ccccc2)CCCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852046272	GG	On-Demand	Reactive	KCNA3	46	38
O=C(NCC1(c2ccccc2)CCCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852046272	GG	On-Demand	Reactive	HCN1	51	31
O=C(NCC1(c2ccccc2)CCCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852046272	GG	On-Demand	Reactive	HCN4	48	31
CN(C)C(=O)OC[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852046307	EC	On-Demand	Anodyne	AMY2	49	35
CN(C)C(=O)OC[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852046309	EC	On-Demand	Anodyne	AMY2	49	35
CN(C)C(=O)OC[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852046311	EC	On-Demand	Anodyne	AMY2	49	35
CN(C)C(=O)OC[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852046312	EC	On-Demand	Anodyne	AMY2	49	35
CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852046321	FF	On-Demand	Anodyne	MMP13	15	42
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(Cc3cnc4ccccc4n3)C2)CC1	ZINC000852046337	GF	On-Demand	Anodyne	GPR119	46	40
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(Cc3cnc4ccccc4n3)C2)CC1	ZINC000852046338	GF	On-Demand	Anodyne	GPR119	46	40
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C[C@H](O)c1ccccn1	ZINC000852046357	GD	On-Demand	Anodyne	GPR119	29	42
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C[C@H](O)c1ccccn1	ZINC000852046358	GD	On-Demand	Anodyne	GPR119	29	42
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C[C@@H](O)c1ccccn1	ZINC000852046359	GD	On-Demand	Anodyne	GPR119	29	42
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C[C@@H](O)c1ccccn1	ZINC000852046360	GD	On-Demand	Anodyne	GPR119	29	42
O=C(NCc1ncccn1)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000852046437	GE	On-Demand	Anodyne	MAPK1	41	40
O=C(NCc1ncccn1)NC[C@H](c1cccc(Cl)c1)N1CCOCC1	ZINC000852046438	GE	On-Demand	Anodyne	MAPK1	41	40
COC(=O)N(C)CCNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000852046492	GC	On-Demand	Anodyne	DRD4	41	31
COC(=O)N(C)CCNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000852046492	GC	On-Demand	Anodyne	ROCK2	22	45
CC(C)(C)OC(=O)NCCNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852046502	GD	On-Demand	Anodyne	CACNA1I	47	35
Cc1nc(CN2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)co1	ZINC000852046539	FE	On-Demand	Anodyne	GPR119	40	37
Cc1nc(CN2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)co1	ZINC000852046540	FE	On-Demand	Anodyne	GPR119	40	37
Fc1cccc(CN2CCCN(c3ccccc3F)CC2)n1	ZINC000852046551	DG	On-Demand	Anodyne	HTR1A	21	52
Fc1cccc(CN2CCCN(c3ccccc3F)CC2)n1	ZINC000852046551	DG	On-Demand	Anodyne	DRD2	23	52
Fc1cccc(CN2CCCN(c3ccccc3F)CC2)n1	ZINC000852046551	DG	On-Demand	Anodyne	DRD4	34	46
Fc1cccc(CN2CCCN(c3ccccc3F)CC2)n1	ZINC000852046551	DG	On-Demand	Anodyne	DRD3	19	46
COCCN(CCF)C(=O)NCc1ccccc1-c1ccc(Cl)cc1	ZINC000852046552	FI	On-Demand	Anodyne	UTS2	40	31
C[C@@H](NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1c(F)cncc1F	ZINC000852046569	FF	On-Demand	Anodyne	GPR119	24	41
CN(C)C(=O)OC[C@@H]1CCCCN1CCc1ccc(C#N)cc1	ZINC000852046644	DF	On-Demand	Mild	HRH3	34	48
CN(C)C(=O)OC[C@H]1CCCCN1CCc1ccc(C#N)cc1	ZINC000852046646	DF	On-Demand	Mild	HRH3	34	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cn4c(n3)CCCC4)C2)cc1	ZINC000852046681	FE	On-Demand	Clean	NPBWR1	51	30
CC(C)(C)OC(=O)NCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852046758	FE	On-Demand	Anodyne	SCN2A	19	46
CC(C)(C)OC(=O)NCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852046758	FE	On-Demand	Anodyne	SCN10A	34	46
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)C2)cc1	ZINC000852046772	GE	On-Demand	Clean	MTNR1A	15	46
COC(=O)c1ccc(CNC(=O)NCCNC(=O)OC(C)(C)C)c(F)c1	ZINC000852046786	FD	On-Demand	Anodyne	BDKRB1	26	42
CC(C)(C)OC(=O)NCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852046788	GC	On-Demand	Anodyne	CA2	21	51
CC(C)(C)OC(=O)NCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852046788	GC	On-Demand	Anodyne	CA1	21	51
CC(C)(C)OC(=O)NCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852046788	GC	On-Demand	Anodyne	TRPV1	26	47
CC(C)(C)OC(=O)NCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852046788	GC	On-Demand	Anodyne	CA12	15	45
CC(C)(C)OC(=O)NCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852046788	GC	On-Demand	Anodyne	CA9	18	45
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852046798	FE	On-Demand	Anodyne	DRD2	20	45
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852046798	FE	On-Demand	Anodyne	ACHE	22	40
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852046798	FE	On-Demand	Anodyne	SIGMAR1	33	44
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852046799	FE	On-Demand	Anodyne	DRD2	20	45
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852046799	FE	On-Demand	Anodyne	ACHE	22	40
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852046799	FE	On-Demand	Anodyne	SIGMAR1	33	44
CCC(C)(C)[C@@H](C)NC(=O)NCCNC(=O)OC(C)(C)C	ZINC000852046813	DF	On-Demand	Anodyne	PAPA1_CARPA	34	40
CCC(C)(C)[C@@H](C)NC(=O)NCCNC(=O)OC(C)(C)C	ZINC000852046813	DF	On-Demand	Anodyne	CTSK	16	42
C[C@H]1[C@H](NCC(=O)Nc2cnccn2)[C@H](C)CCN1C(=O)OC(C)(C)C	ZINC000852046824	FE	On-Demand	Anodyne	GPR119	24	43
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCC(=O)Nc1cnccn1	ZINC000852046826	FE	On-Demand	Anodyne	GPR119	24	43
C[C@H]1[C@@H](NCC(=O)Nc2cnccn2)[C@H](C)CCN1C(=O)OC(C)(C)C	ZINC000852046828	FE	On-Demand	Anodyne	GPR119	24	43
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCC(=O)Nc1cnccn1	ZINC000852046829	FE	On-Demand	Anodyne	GPR119	24	43
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	HTR1A	63	45
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	DRD2	61	42
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	ADRA1D	37	42
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	HTR2C	26	40
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	ADRA1A	34	42
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	ADRA1B	22	42
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	DRD3	76	41
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	KCNQ2	58	36
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	ABCB1	48	39
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	NOX1	47	32
CCOP(=O)(OCC)[C@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046834	GG	On-Demand	Anodyne	NOX5	49	32
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	HTR1A	63	45
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	DRD2	61	42
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	ADRA1D	37	42
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	HTR2C	26	40
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	ADRA1A	34	42
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	ADRA1B	22	42
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	DRD3	76	41
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	KCNQ2	58	36
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	ABCB1	48	39
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	NOX1	47	32
CCOP(=O)(OCC)[C@@H](O)CN1CCCN(c2ccccc2Cl)CC1	ZINC000852046836	GG	On-Demand	Anodyne	NOX5	49	32
Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)NCc3ncccn3)cc2)cc1	ZINC000852046863	GH	On-Demand	Anodyne	PTGER3	43	37
Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)NCc3ncccn3)cc2)cc1	ZINC000852046863	GH	On-Demand	Anodyne	ACE2	38	41
Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)NCc3ncccn3)cc2)cc1	ZINC000852046863	GH	On-Demand	Anodyne	FFAR1	30	44
Cc1ccc(COc2ccc(C[C@H](C)NC(=O)NCc3ncccn3)cc2)cc1	ZINC000852046864	GH	On-Demand	Anodyne	PTGER3	43	37
Cc1ccc(COc2ccc(C[C@H](C)NC(=O)NCc3ncccn3)cc2)cc1	ZINC000852046864	GH	On-Demand	Anodyne	ACE2	38	41
Cc1ccc(COc2ccc(C[C@H](C)NC(=O)NCc3ncccn3)cc2)cc1	ZINC000852046864	GH	On-Demand	Anodyne	FFAR1	30	44
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C[C@H](O)c3ccccn3)C2)CC1	ZINC000852047025	GD	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C[C@@H](O)c3ccccn3)C2)CC1	ZINC000852047026	GD	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C[C@@H](O)c3ccccn3)C2)CC1	ZINC000852047027	GD	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C[C@H](O)c3ccccn3)C2)CC1	ZINC000852047028	GD	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)NCCNC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852047048	FF	On-Demand	Anodyne	PAPA1_CARPA	23	44
CC(C)(C)OC(=O)NCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852047062	GD	On-Demand	Clean	GPR119	15	42
CC(C)(C)OC(=O)NCCNC(=O)NCC(F)(F)c1ccc(F)cc1	ZINC000852047063	FF	On-Demand	Anodyne	PAPA1_CARPA	24	40
CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852047073	CD	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852047074	CD	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852047075	CD	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852047076	CD	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852047079	GF	On-Demand	Anodyne	ADRB1	15	51
CC(C)(C)OC(=O)NCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852047080	GF	On-Demand	Anodyne	ADRB1	15	51
O[C@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047081	EF	On-Demand	Anodyne	HTR1A	28	48
O[C@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047081	EF	On-Demand	Anodyne	DRD2	32	44
O[C@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047081	EF	On-Demand	Anodyne	DRD4	36	43
O[C@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047081	EF	On-Demand	Anodyne	HTR2A	23	44
O[C@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047081	EF	On-Demand	Anodyne	HTR2C	18	44
O[C@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047081	EF	On-Demand	Anodyne	DRD3	46	44
O[C@@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047082	EF	On-Demand	Anodyne	HTR1A	28	48
O[C@@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047082	EF	On-Demand	Anodyne	DRD2	32	44
O[C@@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047082	EF	On-Demand	Anodyne	DRD4	36	43
O[C@@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047082	EF	On-Demand	Anodyne	HTR2A	23	44
O[C@@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047082	EF	On-Demand	Anodyne	HTR2C	18	44
O[C@@H](CN1CCCN(c2ccccc2Cl)CC1)c1ccccn1	ZINC000852047082	EF	On-Demand	Anodyne	DRD3	46	44
O=C(NCc1ncccn1)NCC1(c2ccccc2)CCCCCC1	ZINC000852047091	EH	On-Demand	Anodyne	KCNA3	48	42
O=C(NCc1ncccn1)NCC1(c2ccccc2)CCCCCC1	ZINC000852047091	EH	On-Demand	Anodyne	NMBR	80	38
O=C(NCc1ncccn1)NCC1(c2ccccc2)CCCCCC1	ZINC000852047091	EH	On-Demand	Anodyne	GRPR	42	37
CC(C)(C)OC(=O)NCCNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852047098	FE	On-Demand	Anodyne	SLC6A5	17	40
CC(C)(C)OC(=O)NCCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852047099	FE	On-Demand	Anodyne	SLC6A5	17	40
O=S1(=O)N=C(CN2CCCN(c3ccccc3Cl)CC2)c2ccccc21	ZINC000852047108	GG	On-Demand	Anodyne	HTR1A	20	46
O=S1(=O)N=C(CN2CCCN(c3ccccc3Cl)CC2)c2ccccc21	ZINC000852047108	GG	On-Demand	Anodyne	DRD2	29	44
O=S1(=O)N=C(CN2CCCN(c3ccccc3Cl)CC2)c2ccccc21	ZINC000852047108	GG	On-Demand	Anodyne	DRD4	29	44
O=S1(=O)N=C(CN2CCCN(c3ccccc3Cl)CC2)c2ccccc21	ZINC000852047108	GG	On-Demand	Anodyne	ADRA1D	15	46
O=S1(=O)N=C(CN2CCCN(c3ccccc3Cl)CC2)c2ccccc21	ZINC000852047108	GG	On-Demand	Anodyne	DRD3	29	44
O=S1(=O)N=C(CN2CCCN(c3ccccc3Cl)CC2)c2ccccc21	ZINC000852047108	GG	On-Demand	Anodyne	HTR7	15	41
O=S1(=O)N=C(CN2CCCN(c3ccccc3Cl)CC2)c2ccccc21	ZINC000852047108	GG	On-Demand	Anodyne	NOX1	50	33
O=S1(=O)N=C(CN2CCCN(c3ccccc3Cl)CC2)c2ccccc21	ZINC000852047108	GG	On-Demand	Anodyne	NOX5	46	33
Fc1cccc(CN2CCCN(c3ccccc3Cl)CC2)n1	ZINC000852047121	DH	On-Demand	Anodyne	HTR1A	34	49
Fc1cccc(CN2CCCN(c3ccccc3Cl)CC2)n1	ZINC000852047121	DH	On-Demand	Anodyne	DRD2	43	49
Fc1cccc(CN2CCCN(c3ccccc3Cl)CC2)n1	ZINC000852047121	DH	On-Demand	Anodyne	DRD4	43	48
Fc1cccc(CN2CCCN(c3ccccc3Cl)CC2)n1	ZINC000852047121	DH	On-Demand	Anodyne	ADRA1D	16	46
Fc1cccc(CN2CCCN(c3ccccc3Cl)CC2)n1	ZINC000852047121	DH	On-Demand	Anodyne	HTR2A	23	49
Fc1cccc(CN2CCCN(c3ccccc3Cl)CC2)n1	ZINC000852047121	DH	On-Demand	Anodyne	DRD3	47	48
Fc1cccc(CN2CCCN(c3ccccc3Cl)CC2)n1	ZINC000852047121	DH	On-Demand	Anodyne	NOX1	43	36
O=C1CC[C@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047146	DF	On-Demand	Anodyne	HTR1A	39	47
O=C1CC[C@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047146	DF	On-Demand	Anodyne	DRD2	33	45
O=C1CC[C@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047146	DF	On-Demand	Anodyne	ADRA1D	37	47
O=C1CC[C@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047146	DF	On-Demand	Anodyne	ADRA1A	29	41
O=C1CC[C@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047146	DF	On-Demand	Anodyne	ADRA1B	31	47
O=C1CC[C@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047146	DF	On-Demand	Anodyne	DRD3	30	41
O=C1CC[C@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047146	DF	On-Demand	Anodyne	NOX1	52	32
O=C1CC[C@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047146	DF	On-Demand	Anodyne	NOX5	49	32
O=C1CC[C@@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047147	DF	On-Demand	Anodyne	HTR1A	39	47
O=C1CC[C@@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047147	DF	On-Demand	Anodyne	DRD2	33	45
O=C1CC[C@@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047147	DF	On-Demand	Anodyne	ADRA1D	37	47
O=C1CC[C@@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047147	DF	On-Demand	Anodyne	ADRA1A	29	41
O=C1CC[C@@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047147	DF	On-Demand	Anodyne	ADRA1B	31	47
O=C1CC[C@@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047147	DF	On-Demand	Anodyne	DRD3	30	41
O=C1CC[C@@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047147	DF	On-Demand	Anodyne	NOX1	52	32
O=C1CC[C@@H](CN2CCCN(c3ccccc3Cl)CC2)O1	ZINC000852047147	DF	On-Demand	Anodyne	NOX5	49	32
CO[C@@H](CN(C)c1ccc2c(C)cc(=O)oc2c1)C1CCC1	ZINC000852047158	DG	On-Demand	Anodyne	MAOA	52	37
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)Nc1cnccn1	ZINC000852047182	GC	On-Demand	Anodyne	GPR119	23	43
COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)Nc1cnccn1	ZINC000852047184	GC	On-Demand	Anodyne	GPR119	23	43
O=C(NCc1ccc2c(c1)OCCCO2)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852047189	GC	On-Demand	Reactive	NOS2	60	34
COC(=O)c1ccc2nc(CN3CCCC[C@H]3COC(=O)NC(C)C)[nH]c2c1	ZINC000852047261	GF	On-Demand	Anodyne	ELANE	21	41
COC(=O)c1ccc2nc(CN3CCCC[C@@H]3COC(=O)NC(C)C)[nH]c2c1	ZINC000852047262	GF	On-Demand	Anodyne	ELANE	21	41
O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852047267	GF	On-Demand	Anodyne	CCR2	53	40
O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852047271	GF	On-Demand	Anodyne	CCR2	53	40
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852047317	GD	On-Demand	Anodyne	AMY2	52	30
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852047318	GD	On-Demand	Anodyne	AMY2	52	30
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852047319	GD	On-Demand	Anodyne	AMY2	52	30
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852047320	GD	On-Demand	Anodyne	AMY2	52	30
CCOC(=O)C1(S(C)(=O)=O)CCN(Cc2cccc(N)c2)CC1	ZINC000852047341	ED	On-Demand	Anodyne	MCHR2	41	32
CC(C)(C)OC(=O)N1CCN([C@H]2CCN([C@@H]3CCC[C@H]3O)C2)CC1	ZINC000852047344	ED	On-Demand	Anodyne	GPR119	47	43
CC(C)(C)OC(=O)N1CCN([C@@H]2CCN([C@@H]3CCC[C@H]3O)C2)CC1	ZINC000852047345	ED	On-Demand	Anodyne	GPR119	47	43
COc1cc(CN2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)on1	ZINC000852047346	FD	On-Demand	Anodyne	GPR119	41	37
COc1cc(CN2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)on1	ZINC000852047347	FD	On-Demand	Anodyne	GPR119	41	37
O=C1CC[C@H](CN2CCCN(c3ccccc3F)CC2)O1	ZINC000852047423	CE	On-Demand	Anodyne	HTR1A	27	42
O=C1CC[C@H](CN2CCCN(c3ccccc3F)CC2)O1	ZINC000852047423	CE	On-Demand	Anodyne	DRD2	17	42
O=C1CC[C@H](CN2CCCN(c3ccccc3F)CC2)O1	ZINC000852047423	CE	On-Demand	Anodyne	ADRA1D	27	42
O=C1CC[C@H](CN2CCCN(c3ccccc3F)CC2)O1	ZINC000852047423	CE	On-Demand	Anodyne	ADRA1B	23	42
O=C1CC[C@@H](CN2CCCN(c3ccccc3F)CC2)O1	ZINC000852047424	CE	On-Demand	Anodyne	HTR1A	27	42
O=C1CC[C@@H](CN2CCCN(c3ccccc3F)CC2)O1	ZINC000852047424	CE	On-Demand	Anodyne	DRD2	17	42
O=C1CC[C@@H](CN2CCCN(c3ccccc3F)CC2)O1	ZINC000852047424	CE	On-Demand	Anodyne	ADRA1D	27	42
O=C1CC[C@@H](CN2CCCN(c3ccccc3F)CC2)O1	ZINC000852047424	CE	On-Demand	Anodyne	ADRA1B	23	42
C#CCOCCN1CCC[C@H](c2ccncc2)C1	ZINC000852047459	BD	On-Demand	Mild	SLC6A1	55	38
C#CCOCCN1CCC[C@H](c2ccncc2)C1	ZINC000852047459	BD	On-Demand	Mild	HRH3	15	40
C#CCOCCN1CCC[C@@H](c2ccncc2)C1	ZINC000852047460	BD	On-Demand	Mild	SLC6A1	55	38
C#CCOCCN1CCC[C@@H](c2ccncc2)C1	ZINC000852047460	BD	On-Demand	Mild	HRH3	15	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccc3c(c2)OCCCO3)O1	ZINC000852047495	GC	On-Demand	Reactive	NOS2	73	34
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccc3c(c2)OCCCO3)O1	ZINC000852047496	GC	On-Demand	Reactive	NOS2	73	34
COCCN(CCF)C(=O)NCC1(c2ccc(Cl)cc2)CC1	ZINC000852047501	EF	On-Demand	Anodyne	KCNA3	41	35
NC(=O)[C@](O)(CN1CCCN(c2ccccc2F)CC1)c1ccccc1	ZINC000852047537	FD	On-Demand	Anodyne	HTR1A	21	42
NC(=O)[C@](O)(CN1CCCN(c2ccccc2F)CC1)c1ccccc1	ZINC000852047537	FD	On-Demand	Anodyne	DRD2	18	43
NC(=O)[C@](O)(CN1CCCN(c2ccccc2F)CC1)c1ccccc1	ZINC000852047537	FD	On-Demand	Anodyne	DRD3	17	40
NC(=O)[C@](O)(CN1CCCN(c2ccccc2F)CC1)c1ccccc1	ZINC000852047537	FD	On-Demand	Anodyne	KCNQ2	46	34
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2F)CC1)c1ccccc1	ZINC000852047538	FD	On-Demand	Anodyne	HTR1A	21	42
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2F)CC1)c1ccccc1	ZINC000852047538	FD	On-Demand	Anodyne	DRD2	18	43
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2F)CC1)c1ccccc1	ZINC000852047538	FD	On-Demand	Anodyne	DRD3	17	40
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2F)CC1)c1ccccc1	ZINC000852047538	FD	On-Demand	Anodyne	KCNQ2	46	34
CC(C)(C)OC(=O)N1CCN([C@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C2)CC1	ZINC000852047540	FG	On-Demand	Anodyne	GPR119	43	41
O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccccc1S(=O)(=O)N1CCOCC1	ZINC000852047667	JD	On-Demand	Anodyne	CCKAR	41	35
O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccccc1S(=O)(=O)N1CCOCC1	ZINC000852047667	JD	On-Demand	Anodyne	MMP8	28	40
O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccccc1S(=O)(=O)N1CCOCC1	ZINC000852047667	JD	On-Demand	Anodyne	MMP11	40	32
O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccccc1S(=O)(=O)N1CCOCC1	ZINC000852047667	JD	On-Demand	Anodyne	CCKBR	46	33
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2Sc2ccccc21	ZINC000852047675	IK	On-Demand	Anodyne	BCHE	15	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2Sc2ccccc21	ZINC000852047675	IK	On-Demand	Anodyne	GHSR	46	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2Sc2ccccc21	ZINC000852047676	IK	On-Demand	Anodyne	BCHE	15	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2Sc2ccccc21	ZINC000852047676	IK	On-Demand	Anodyne	GHSR	46	36
COCCN(CCF)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1	ZINC000852047714	FG	On-Demand	Anodyne	KCNA3	41	33
CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852047715	GE	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852047716	GE	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852047717	GE	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852047718	GE	On-Demand	Anodyne	AMY2	45	31
CCOC(=O)C1(S(C)(=O)=O)CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852047804	DC	On-Demand	Anodyne	SLC18A3	24	44
CN(CCC(N)=O)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852047812	CB	On-Demand	Anodyne	AMY2	56	35
CN(CCC(N)=O)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852047813	CB	On-Demand	Anodyne	AMY2	56	35
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCCCO4)C2)cc1	ZINC000852047829	GF	On-Demand	Clean	EDNRB	66	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCCCO4)C2)cc1	ZINC000852047829	GF	On-Demand	Clean	EDNRA	57	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCCCO4)C2)cc1	ZINC000852047829	GF	On-Demand	Clean	BMP1	59	36
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCCCO4)C2)cc1	ZINC000852047829	GF	On-Demand	Clean	NOS2	86	35
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCCCO4)C2)cc1	ZINC000852047829	GF	On-Demand	Clean	MTNR1A	18	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCCCO4)C2)cc1	ZINC000852047829	GF	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCCCO4)C2)cc1	ZINC000852047829	GF	On-Demand	Clean	MCHR1	30	61
NC(=O)[C@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047831	FE	On-Demand	Anodyne	HTR1A	37	48
NC(=O)[C@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047831	FE	On-Demand	Anodyne	DRD2	40	47
NC(=O)[C@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047831	FE	On-Demand	Anodyne	DRD4	24	47
NC(=O)[C@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047831	FE	On-Demand	Anodyne	ADRA1D	15	44
NC(=O)[C@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047831	FE	On-Demand	Anodyne	HTR2A	21	44
NC(=O)[C@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047831	FE	On-Demand	Anodyne	DRD3	56	41
NC(=O)[C@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047831	FE	On-Demand	Anodyne	KCNQ2	54	39
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047832	FE	On-Demand	Anodyne	HTR1A	37	48
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047832	FE	On-Demand	Anodyne	DRD2	40	47
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047832	FE	On-Demand	Anodyne	DRD4	24	47
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047832	FE	On-Demand	Anodyne	ADRA1D	15	44
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047832	FE	On-Demand	Anodyne	HTR2A	21	44
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047832	FE	On-Demand	Anodyne	DRD3	56	41
NC(=O)[C@@](O)(CN1CCCN(c2ccccc2Cl)CC1)c1ccccc1	ZINC000852047832	FE	On-Demand	Anodyne	KCNQ2	54	39
CCN(C)C(=O)OC[C@H]1CCCCN1CCc1ccc(C#N)cc1	ZINC000852047833	EG	On-Demand	Mild	HRH3	32	48
CCN(C)C(=O)OC[C@@H]1CCCCN1CCc1ccc(C#N)cc1	ZINC000852047834	EG	On-Demand	Mild	HRH3	32	48
O=C(NCc1ccc2c(c1)OCCCO2)NNc1ccc(Cl)cn1	ZINC000852047850	EF	On-Demand	Reactive	F10	33	41
O=C(NCc1ccc2c(c1)OCCCO2)NNc1ccc(Cl)cn1	ZINC000852047850	EF	On-Demand	Reactive	NOS2	59	33
O=C(NCc1ccc2c(c1)OCCCO2)N[C@@H]1C=CCC1	ZINC000852047864	CE	On-Demand	Anodyne	NOS2	43	34
O=C(NCc1ccc2c(c1)OCCCO2)N[C@H]1C=CCC1	ZINC000852047865	CE	On-Demand	Anodyne	NOS2	43	34
CO[C@@H](CN(C)c1ccc2c(C)cc(=O)oc2c1)[C@@H]1CCOC1	ZINC000852047871	DF	On-Demand	Anodyne	MAOA	50	35
CO[C@@H](CN(C)c1ccc2c(C)cc(=O)oc2c1)[C@H]1CCOC1	ZINC000852047872	DF	On-Demand	Anodyne	MAOA	50	35
CCOP(=O)(OCC)[C@H](O)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2	ZINC000852047884	FG	On-Demand	Anodyne	ADAM9	75	42
CCOP(=O)(OCC)[C@@H](O)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2	ZINC000852047885	FG	On-Demand	Anodyne	ADAM9	75	42
C[C@@H]1[C@@H](N2CCCC2)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852047957	DC	On-Demand	Anodyne	AMY2	48	33
C[C@@H]1[C@@H](N2CCCC2)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852047960	DC	On-Demand	Anodyne	AMY2	48	33
CCOC(=O)c1c(CN(C)c2ccc3c(C)cc(=O)oc3c2)n[nH]c1C	ZINC000852047992	FF	On-Demand	Anodyne	MAOA	51	41
CO[C@@H]1CC[C@@H](N2CCCN(c3ccccc3Cl)CC2)C1	ZINC000852047998	DG	On-Demand	Anodyne	ADRA1D	32	40
CO[C@@H]1CC[C@@H](N2CCCN(c3ccccc3Cl)CC2)C1	ZINC000852047998	DG	On-Demand	Anodyne	ADRA1A	23	40
O=C(NCc1ccc2c(c1)OCCCO2)N1CCC(N2CCOC2=O)CC1	ZINC000852048035	GD	On-Demand	Anodyne	NOS2	91	36
Cc1nc(CN(C)c2ccc3c(C)cc(=O)oc3c2)co1	ZINC000852048054	CG	On-Demand	Anodyne	MAOA	53	38
NC(=O)[C@](O)(CN1CCC[C@@H](c2ccncc2)C1)c1ccccc1	ZINC000852048088	ED	On-Demand	Anodyne	SLC6A1	58	34
NC(=O)[C@](O)(CN1CCC[C@H](c2ccncc2)C1)c1ccccc1	ZINC000852048089	ED	On-Demand	Anodyne	SLC6A1	58	34
NC(=O)[C@@](O)(CN1CCC[C@H](c2ccncc2)C1)c1ccccc1	ZINC000852048090	ED	On-Demand	Anodyne	SLC6A1	58	34
NC(=O)[C@@](O)(CN1CCC[C@@H](c2ccncc2)C1)c1ccccc1	ZINC000852048091	ED	On-Demand	Anodyne	SLC6A1	58	34
COC(=O)c1ccc(CNC(=O)NCCSC(C)(C)C)c(F)c1	ZINC000852048096	EF	On-Demand	Anodyne	BDKRB1	26	41
C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C[C@@H]1CCC(=O)O1	ZINC000852048098	DG	On-Demand	Anodyne	SLC16A1	45	31
C[C@H](Cc1ccccc1C(F)(F)F)N(C)C[C@H]1CCC(=O)O1	ZINC000852048099	DG	On-Demand	Anodyne	SLC16A1	45	31
C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C[C@H]1CCC(=O)O1	ZINC000852048100	DG	On-Demand	Anodyne	SLC16A1	45	31
C[C@H](Cc1ccccc1C(F)(F)F)N(C)C[C@@H]1CCC(=O)O1	ZINC000852048101	DG	On-Demand	Anodyne	SLC16A1	45	31
O=C(NCc1ccc2c(c1)OCCCO2)N1CC[C@H](N2CCOC2=O)C1	ZINC000852048190	FD	On-Demand	Anodyne	NOS2	93	36
O=C(NCc1ccc2c(c1)OCCCO2)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852048191	FD	On-Demand	Anodyne	NOS2	93	36
COc1nc(C)cc(C)c1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852048204	EF	On-Demand	Reactive	F10	48	32
O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(N2CCCCC2)nc1	ZINC000852048217	HH	On-Demand	Anodyne	HTR1D	18	40
O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(N2CCCCC2)nc1	ZINC000852048217	HH	On-Demand	Anodyne	HTR1B	24	40
O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(N2CCCCC2)nc1	ZINC000852048217	HH	On-Demand	Anodyne	NMBR	82	35
O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(N2CCCCC2)nc1	ZINC000852048217	HH	On-Demand	Anodyne	GRPR	49	35
O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(N2CCCCC2)nc1	ZINC000852048217	HH	On-Demand	Anodyne	DGAT1	35	40
O=C(NCc1ccc2c(c1)OCCCO2)NC[C@H](O)c1cccc2ccccc12	ZINC000852048259	GH	On-Demand	Anodyne	NOS2	71	33
O=C(NCc1ccc2c(c1)OCCCO2)NC[C@@H](O)c1cccc2ccccc12	ZINC000852048260	GH	On-Demand	Anodyne	NOS2	71	33
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	TACR1	20	44
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	CCKAR	49	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	CTSL	23	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	NMBR	77	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	MMP2	24	46
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	GRPR	64	33
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	ECE1	44	38
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	MMP11	64	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	GHSR	43	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	CFTR	32	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	MMP9	23	46
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048309	JI	On-Demand	Anodyne	MC1R	19	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	TACR1	20	44
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	CCKAR	49	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	CTSL	23	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	NMBR	77	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	MMP2	24	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	GRPR	64	33
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	ECE1	44	38
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	MMP11	64	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	GHSR	43	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	CFTR	32	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	MMP9	23	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(I)cc1	ZINC000852048310	JI	On-Demand	Anodyne	MC1R	19	40
Cc1nc(CN(C)c2ccc3c(C)cc(=O)oc3c2)c(C)o1	ZINC000852048348	CG	On-Demand	Anodyne	MAOA	45	41
CCN(C)C(=O)OC[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852048353	FD	On-Demand	Anodyne	AMY2	59	35
CCN(C)C(=O)OC[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852048354	FD	On-Demand	Anodyne	AMY2	59	35
CCN(C)C(=O)OC[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852048355	FD	On-Demand	Anodyne	AMY2	59	35
CCN(C)C(=O)OC[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852048356	FD	On-Demand	Anodyne	AMY2	59	35
C#CCOCCN(C)c1ccc2c(C)cc(=O)oc2c1	ZINC000852048361	CE	On-Demand	Mild	MAOA	53	38
COC[C@@H](CN(C)c1ccc2c(C)cc(=O)oc2c1)OC	ZINC000852048374	CE	On-Demand	Anodyne	MAOA	53	38
O=C(NCc1ccc2c(c1)OCCCO2)NCc1ncccn1	ZINC000852048447	DD	On-Demand	Anodyne	NOS2	93	36
FC(F)OCCN1CCN(CCOC(F)F)c2ccccc21	ZINC000852048514	DF	On-Demand	Anodyne	SLC6A3	20	41
O=C(CCC1CCCCC1)NNC(=O)NCc1ncccn1	ZINC000852048546	DD	On-Demand	Reactive	BMP1	40	35
O=C(CCC1CCCCC1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852048616	EF	On-Demand	Reactive	BMP1	40	34
O=C(CCC1CCCCC1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852048616	EF	On-Demand	Reactive	ETHR	52	33
O=C(CCC1CCCCC1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852048619	FF	On-Demand	Reactive	HTR4	15	43
O=C(CCC1CCCCC1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852048619	FF	On-Demand	Reactive	CACNA1I	45	36
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCC3CCCCC3)C2)cc1	ZINC000852048709	GF	On-Demand	Reactive	MMP1	16	43
O=C(CCC1CCCCC1)NNC(=O)NCc1cc(F)ccc1OC(F)F	ZINC000852048719	GH	On-Demand	Reactive	P2RX7	20	41
CCOc1ccccc1CCNC(=O)NCCC1SCCS1	ZINC000852048758	EG	On-Demand	Anodyne	HCN1	48	31
CCOc1ccccc1CCNC(=O)NCCC1SCCS1	ZINC000852048758	EG	On-Demand	Anodyne	HCN4	41	31
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc(C#N)cc1	ZINC000852048767	EG	On-Demand	Mild	HRH3	26	43
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc(C#N)cc1	ZINC000852048769	EG	On-Demand	Mild	HRH3	26	43
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc(C#N)cc1	ZINC000852048770	EG	On-Demand	Mild	HRH3	26	43
CCOc1ccccc1CCNC(=O)NCCN(C)C(=O)OC	ZINC000852049026	DD	On-Demand	Anodyne	MTNR1A	46	42
CCOc1ccccc1CCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852049042	DF	On-Demand	Anodyne	HCN1	51	34
CCOc1ccccc1CCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852049042	DF	On-Demand	Anodyne	HCN4	44	33
CCOc1ccccc1CCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852049043	DF	On-Demand	Anodyne	HCN1	51	34
CCOc1ccccc1CCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852049043	DF	On-Demand	Anodyne	HCN4	44	33
C1=C(c2cccnc2)CN(Cc2ccsc2)CC1	ZINC000852049112	CG	On-Demand	Anodyne	CYP2A6	29	45
NC(=O)[C@](O)(CN1CCCC[C@H]1c1nnc(C2CCC2)o1)c1ccccc1	ZINC000852049117	FE	On-Demand	Anodyne	CPT1A	56	39
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1nnc(C2CCC2)o1)c1ccccc1	ZINC000852049118	FE	On-Demand	Anodyne	CPT1A	56	39
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1ccccc1	ZINC000852049119	FE	On-Demand	Anodyne	CPT1A	56	39
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1nnc(C2CCC2)o1)c1ccccc1	ZINC000852049120	FE	On-Demand	Anodyne	CPT1A	56	39
COCCN(Cc1ccccn1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852049208	EC	On-Demand	Anodyne	AMY2	55	38
COCCN(Cc1ccccn1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852049209	EC	On-Demand	Anodyne	AMY2	55	38
NC(=O)[C@](O)(CN1CC[C@H](Oc2cccnc2N2CCCC2)C1)c1ccccc1	ZINC000852049211	GD	On-Demand	Anodyne	CHRM3	29	43
NC(=O)[C@](O)(CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1)c1ccccc1	ZINC000852049212	GD	On-Demand	Anodyne	CHRM3	29	43
NC(=O)[C@@](O)(CN1CC[C@H](Oc2cccnc2N2CCCC2)C1)c1ccccc1	ZINC000852049213	GD	On-Demand	Anodyne	CHRM3	29	43
NC(=O)[C@@](O)(CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1)c1ccccc1	ZINC000852049214	GD	On-Demand	Anodyne	CHRM3	29	43
O=C(CCC1CCCCC1)NNC(=O)NCCc1nsc2ccccc12	ZINC000852049240	FH	On-Demand	Reactive	PRMT3	16	40
O=C(CCC1CCCCC1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852049291	FF	On-Demand	Reactive	SCN2A	18	44
O=C(CCC1CCCCC1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852049291	FF	On-Demand	Reactive	SCN10A	19	44
O=C(CCC1CCCCC1)NNC(=O)NCCc1noc2ccccc12	ZINC000852049304	FG	On-Demand	Reactive	BMP1	47	35
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCC(C)C)C2)cc1	ZINC000852049386	EE	On-Demand	Reactive	MTNR1A	17	53
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCC(C)C)C2)cc1	ZINC000852049386	EE	On-Demand	Reactive	MTNR1B	16	53
O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852049434	GH	On-Demand	Clean	HTR1A	15	51
O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852049434	GH	On-Demand	Clean	FKBP1A	22	43
O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852049434	GH	On-Demand	Clean	SIGMAR1	24	42
O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852049434	GH	On-Demand	Clean	CCR3	15	49
O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852049434	GH	On-Demand	Clean	EPHX2	18	44
O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852049434	GH	On-Demand	Clean	AMP1_PLAFQ	25	40
O=C(NCCCCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852049434	GH	On-Demand	Clean	STAT6	15	41
COc1cccc(OC)c1CNC(=O)NNC(=O)CCC(C)C	ZINC000852049439	DD	On-Demand	Reactive	ANPEP	16	43
N#CCOc1ccc(CNC(=O)N2CCC(C3CCC3)CC2)cc1	ZINC000852049482	EG	On-Demand	Mild	EPHX2	19	44
N#CCOc1ccc(CNC(=O)N2CCc3nccnc3C2)cc1	ZINC000852049520	DD	On-Demand	Mild	NAMPT	23	42
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)c1ccccc1	ZINC000852049527	GD	On-Demand	Anodyne	CPT1A	46	34
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1)c1ccccc1	ZINC000852049529	GD	On-Demand	Anodyne	CPT1A	46	34
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)c1ccccc1	ZINC000852049531	GD	On-Demand	Anodyne	CPT1A	46	34
NC(=O)[C@](O)(CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1)c1ccccc1	ZINC000852049533	GD	On-Demand	Anodyne	CPT1A	46	34
CC(C)c1ccc2c(c1)CN(C(=O)NCc1ccc(OCC#N)cc1)CC2	ZINC000852049536	FH	On-Demand	Mild	MAPK1	29	41
N#CCOc1ccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1	ZINC000852049567	FF	On-Demand	Mild	SLC6A5	36	45
N#CCOc1ccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1	ZINC000852049569	FF	On-Demand	Mild	SLC6A5	36	45
N#CCOc1ccc(CNC(=O)N2CCN([C@H]3CCOC3)CC2)cc1	ZINC000852049571	ED	On-Demand	Mild	NAMPT	15	42
N#CCOc1ccc(CNC(=O)N2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000852049573	ED	On-Demand	Mild	NAMPT	15	42
Cc1csc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	ZINC000852049604	FF	On-Demand	Clean	VHL	51	33
N#CCOc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852049644	FF	On-Demand	Mild	SCN2A	17	43
N#CCOc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852049644	FF	On-Demand	Mild	SCN10A	19	43
COCCN(CC(=O)Nc1ccc(Cl)nc1)Cc1ccccn1	ZINC000852049651	EE	On-Demand	Anodyne	GRM4	41	37
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OCC#N)cc3)C2)cc1	ZINC000852049691	GF	On-Demand	Mild	PROKR1	50	31
COCCN(Cc1ccccn1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852049698	FE	On-Demand	Anodyne	GPR119	19	41
COCCN(Cc1ccccn1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852049701	FE	On-Demand	Anodyne	GPR119	19	41
N#CCOc1ccc(CNC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852049704	FF	On-Demand	Mild	CACNA1I	54	38
O=C(NCCCCCc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852049730	EF	On-Demand	Reactive	SCNN1A	41	38
O=C(NCCCCCc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852049730	EF	On-Demand	Reactive	FAAH	52	41
O=C(NCCCCCc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852049730	EF	On-Demand	Reactive	SLC6A5	22	42
O=C(NCCCCCc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852049730	EF	On-Demand	Reactive	CES1	61	37
O=C(NCCCCCc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852049730	EF	On-Demand	Reactive	CRTM	41	35
N#CCOc1ccc(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1	ZINC000852049741	FF	On-Demand	Mild	CCR3	44	36
N#CCOc1ccc(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1	ZINC000852049742	FF	On-Demand	Mild	CCR3	44	36
O=C(CN1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc(Cl)nc1	ZINC000852049754	ED	On-Demand	Anodyne	AURKB	24	48
O=C(CN1CC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc(Cl)nc1	ZINC000852049754	ED	On-Demand	Anodyne	MAPK1	22	40
O=C(CN1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccc(Cl)nc1	ZINC000852049756	ED	On-Demand	Anodyne	AURKB	24	48
O=C(CN1CC[C@H](C(=O)N2CCCC2)C1)Nc1ccc(Cl)nc1	ZINC000852049756	ED	On-Demand	Anodyne	MAPK1	22	40
O[C@@H]1CCC[C@H]1N1Cc2cccc(Cl)c2C1	ZINC000852049788	BF	On-Demand	Anodyne	SLC18A3	54	38
CCOP(=O)(OCC)[C@H](O)CN1Cc2cccc(Cl)c2C1	ZINC000852049824	EG	On-Demand	Anodyne	ADAM9	52	34
CCOP(=O)(OCC)[C@@H](O)CN1Cc2cccc(Cl)c2C1	ZINC000852049825	EG	On-Demand	Anodyne	ADAM9	52	34
CCOc1ccccc1CCNC(=O)NCC1SCCS1	ZINC000852049833	EF	On-Demand	Anodyne	MTNR1A	34	41
CCOc1ccccc1CCNC(=O)NCC1SCCS1	ZINC000852049833	EF	On-Demand	Anodyne	HCN1	48	32
CCOc1ccccc1CCNC(=O)NCC1SCCS1	ZINC000852049833	EF	On-Demand	Anodyne	HCN4	41	31
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@@H](C#N)c1ccccc1	ZINC000852049838	DG	On-Demand	Mild	PTAFR	30	43
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@H](C#N)c1ccccc1	ZINC000852049839	DG	On-Demand	Mild	PTAFR	30	43
C#CCOCCN1CCC[C@@H](CCNC(C)=O)C1	ZINC000852049877	CC	On-Demand	Mild	SLC6A1	44	36
C#CCOCCN1CCC[C@H](CCNC(C)=O)C1	ZINC000852049878	CC	On-Demand	Mild	SLC6A1	44	36
N#CCOc1ccc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)cc1	ZINC000852049889	FF	On-Demand	Mild	EPHX2	32	41
N#CCOc1ccc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)cc1	ZINC000852049889	FF	On-Demand	Mild	TNKS	43	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	ACE	15	50
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	MME	23	50
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	EDNRA	26	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	TACR1	25	47
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	CCKAR	55	44
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	CTSL	24	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	BRS3	25	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	NMBR	32	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	MTNR1A	24	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	MTNR1B	15	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	MMP2	21	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	MMP8	31	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	GRPR	48	31
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	ECE1	50	50
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	MMP11	75	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	CCKBR	50	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	GHSR	55	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049890	HK	On-Demand	Anodyne	MMP9	21	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	ACE	15	50
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	MME	23	50
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	EDNRA	26	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	TACR1	25	47
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	CCKAR	55	44
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	CTSL	24	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	BRS3	25	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	NMBR	32	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	MTNR1A	24	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	MTNR1B	15	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	MMP2	21	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	MMP8	31	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	GRPR	48	31
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	ECE1	50	50
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	MMP11	75	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	CCKBR	50	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	GHSR	55	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852049891	HK	On-Demand	Anodyne	MMP9	21	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	ACE	15	50
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	MME	23	50
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	EDNRA	26	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	TACR1	25	47
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	CCKAR	55	44
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	CTSL	24	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	BRS3	25	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	NMBR	32	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	MTNR1A	24	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	MTNR1B	15	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	MMP2	21	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	MMP8	31	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	GRPR	48	31
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	ECE1	50	50
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	MMP11	75	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	CCKBR	50	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	GHSR	55	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852049892	HK	On-Demand	Anodyne	MMP9	21	45
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	ACE	15	50
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	MME	23	50
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	EDNRA	26	40
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	TACR1	25	47
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	CCKAR	55	44
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	CTSL	24	43
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	BRS3	25	40
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	NMBR	32	45
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	MTNR1A	24	42
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	MTNR1B	15	42
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	MMP2	21	41
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	MMP8	31	41
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	GRPR	48	31
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	ECE1	50	50
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	MMP11	75	37
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	CCKBR	50	37
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	GHSR	55	40
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2ccccc2c1	ZINC000852049893	HK	On-Demand	Anodyne	MMP9	21	45
COc1cccc(OC)c1CNC(=O)NCc1ccc(OCC#N)cc1	ZINC000852049906	FF	On-Demand	Mild	PROKR1	42	30
C[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CCN1S(C)(=O)=O	ZINC000852049908	FC	On-Demand	Mild	MMP13	36	44
C[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CCN1S(C)(=O)=O	ZINC000852049908	FC	On-Demand	Mild	ADAM17	48	40
C[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CCN1S(C)(=O)=O	ZINC000852049908	FC	On-Demand	Mild	MMP7	17	44
C[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CCN1S(C)(=O)=O	ZINC000852049908	FC	On-Demand	Mild	MMP1	27	44
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	SIGMAR1	16	44
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	SCN2A	20	44
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	S1PR3	17	40
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	MTNR1A	34	44
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	MTNR1B	32	44
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	FAAH	56	44
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	S1PR2	17	40
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	CES1	61	38
COC(=O)N(C)CCNC(=O)NCCCCCc1ccccc1	ZINC000852049928	DE	On-Demand	Anodyne	AMP1_PLAFQ	23	45
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852049964	FD	On-Demand	Anodyne	AMY2	45	31
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852049966	FD	On-Demand	Anodyne	AMY2	45	31
CCOc1ccccc1CCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852049992	EE	On-Demand	Anodyne	SSTR5	53	37
CCOc1ccccc1CCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852049992	EE	On-Demand	Anodyne	KCNA3	22	40
CCOc1ccccc1CCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852049992	EE	On-Demand	Anodyne	HCN1	51	34
CCOc1ccccc1CCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852049992	EE	On-Demand	Anodyne	HCN4	43	34
CCOc1ccccc1CCNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852049999	ED	On-Demand	Anodyne	HCN1	49	35
CCOc1ccccc1CCNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852049999	ED	On-Demand	Anodyne	HCN4	42	35
CCOc1ccccc1CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852050000	ED	On-Demand	Anodyne	HCN1	49	35
CCOc1ccccc1CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852050000	ED	On-Demand	Anodyne	HCN4	42	35
CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852050016	GA	On-Demand	Reactive	HTR1A	20	49
CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852050016	GA	On-Demand	Reactive	DRD4	41	32
CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852050016	GA	On-Demand	Reactive	DRD3	23	49
CCOc1ccccc1CCNC(=O)NNC(=O)c1cn(C)nn1	ZINC000852050051	EC	On-Demand	Reactive	HCN1	62	37
CCOc1ccccc1CCNC(=O)NNC(=O)c1cn(C)nn1	ZINC000852050051	EC	On-Demand	Reactive	HCN4	44	34
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852050065	EG	On-Demand	Mild	TACR1	22	41
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852050065	EG	On-Demand	Mild	NMBR	23	40
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852050066	EG	On-Demand	Mild	TACR1	22	41
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852050066	EG	On-Demand	Mild	NMBR	23	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	ACE	15	48
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	MME	24	48
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	TACR1	26	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	CCKAR	65	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	CTSL	28	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	BRS3	26	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	NMBR	41	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	GRPR	46	31
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	ECE1	50	48
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	MMP11	69	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	CCKBR	57	38
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	GHSR	59	39
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	MMP9	21	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	MMP1	21	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050103	HK	On-Demand	Anodyne	NPR	26	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	ACE	15	48
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	MME	24	48
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	TACR1	26	46
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	CCKAR	65	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	CTSL	28	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	BRS3	26	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	NMBR	41	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	GRPR	46	31
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	ECE1	50	48
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	MMP11	69	34
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	CCKBR	57	38
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	GHSR	59	39
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	MMP9	21	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	MMP1	21	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852050104	HK	On-Demand	Anodyne	NPR	26	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	ACE	15	48
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	MME	24	48
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	TACR1	26	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	CCKAR	65	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	CTSL	28	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	BRS3	26	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	NMBR	41	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	GRPR	46	31
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	ECE1	50	48
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	MMP11	69	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	CCKBR	57	38
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	GHSR	59	39
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	MMP9	21	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	MMP1	21	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852050105	HK	On-Demand	Anodyne	NPR	26	40
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	ACE	15	48
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	MME	24	48
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	TACR1	26	46
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	CCKAR	65	43
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	CTSL	28	43
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	BRS3	26	40
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	NMBR	41	45
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	GRPR	46	31
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	ECE1	50	48
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	MMP11	69	34
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	CCKBR	57	38
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	GHSR	59	39
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	MMP9	21	43
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	MMP1	21	41
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1cccc2ccccc12	ZINC000852050106	HK	On-Demand	Anodyne	NPR	26	40
O=C(NCCCCCc1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852050119	FG	On-Demand	Anodyne	FKBP1A	20	41
O=C(NCCCCCc1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852050119	FG	On-Demand	Anodyne	FAAH	23	41
O=C(NCCCCCc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852050131	EF	On-Demand	Anodyne	FKBP1A	22	40
O=C(NCCCCCc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852050131	EF	On-Demand	Anodyne	FAAH	21	40
O=C(NCCCCCc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852050131	EF	On-Demand	Anodyne	NPSR1	25	40
O=C(NCCCCCc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852050132	EF	On-Demand	Anodyne	FKBP1A	22	40
O=C(NCCCCCc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852050132	EF	On-Demand	Anodyne	FAAH	21	40
O=C(NCCCCCc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852050132	EF	On-Demand	Anodyne	NPSR1	25	40
O=C(NCCCCCc1ccccc1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852050159	FD	On-Demand	Reactive	FKBP1A	22	42
O=C(NCCCCCc1ccccc1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852050159	FD	On-Demand	Reactive	PREP	45	33
COC(=O)c1ccc(CNC(=O)NNC(=O)CCC(C)C)c(F)c1	ZINC000852050171	ED	On-Demand	Reactive	BDKRB1	25	42
CCOc1ccccc1CCNC(=O)N[C@H]1C=CCC1	ZINC000852050217	CF	On-Demand	Anodyne	HCN1	43	32
CCOc1ccccc1CCNC(=O)N[C@H]1C=CCC1	ZINC000852050217	CF	On-Demand	Anodyne	HCN4	41	32
CCOc1ccccc1CCNC(=O)N[C@@H]1C=CCC1	ZINC000852050218	CF	On-Demand	Anodyne	HCN1	43	32
CCOc1ccccc1CCNC(=O)N[C@@H]1C=CCC1	ZINC000852050218	CF	On-Demand	Anodyne	HCN4	41	32
CC(C)(C)OC(=O)N1CC[C@]2(CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852050223	EG	On-Demand	Anodyne	HRH2	21	41
CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852050224	EG	On-Demand	Anodyne	HRH2	21	41
CCOc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852050232	GC	On-Demand	Reactive	HCN1	52	38
CCOc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852050232	GC	On-Demand	Reactive	HCN4	47	38
CCOc1ccccc1CCNC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852050242	GD	On-Demand	Anodyne	MTNR1A	32	42
O=C(NCCCCCc1ccccc1)NCCC1SCCS1	ZINC000852050248	EH	On-Demand	Anodyne	SIGMAR1	17	44
O=C(NCCCCCc1ccccc1)NCCC1SCCS1	ZINC000852050248	EH	On-Demand	Anodyne	S1PR3	17	41
O=C(NCCCCCc1ccccc1)NCCC1SCCS1	ZINC000852050248	EH	On-Demand	Anodyne	MTNR1A	24	45
O=C(NCCCCCc1ccccc1)NCCC1SCCS1	ZINC000852050248	EH	On-Demand	Anodyne	MTNR1B	25	45
O=C(NCCCCCc1ccccc1)NCCC1SCCS1	ZINC000852050248	EH	On-Demand	Anodyne	FAAH	47	43
O=C(NCCCCCc1ccccc1)NCCC1SCCS1	ZINC000852050248	EH	On-Demand	Anodyne	CES1	53	38
O=C(NCCCCCc1ccccc1)NCCC1SCCS1	ZINC000852050248	EH	On-Demand	Anodyne	EPHX2	17	50
O=C(NCCCCCc1ccccc1)NCCC1SCCS1	ZINC000852050248	EH	On-Demand	Anodyne	AMP1_PLAFQ	22	43
CC(C)(C)N1CC[C@H](NC(=O)NCc2ccc(OCC#N)cc2)C1	ZINC000852050279	EE	On-Demand	Mild	SLC6A5	35	40
CC(C)(C)N1CC[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)C1	ZINC000852050280	EE	On-Demand	Mild	SLC6A5	35	40
N#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852050287	GF	On-Demand	Mild	ACHE	20	42
N#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852050287	GF	On-Demand	Mild	LTA4H	25	41
N#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852050287	GF	On-Demand	Mild	HRH3	17	43
N#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852050287	GF	On-Demand	Mild	SIGMAR1	25	48
N#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852050287	GF	On-Demand	Mild	MCHR1	20	41
N#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852050287	GF	On-Demand	Mild	CACNA1I	45	40
CC[C@@H](C)CCNC(=O)NCc1ccc(OCC#N)cc1	ZINC000852050325	CF	On-Demand	Mild	PDS	46	37
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	ACE	15	41
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	TACR1	25	46
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	CCKAR	80	46
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	CTSL	23	40
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	BRS3	26	41
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	NMBR	24	46
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	MC3R	41	34
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	MC5R	58	34
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	MMP2	23	43
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	MMP8	32	43
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	GRPR	47	32
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	ECE1	51	39
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	MMP11	79	38
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	CCKBR	70	38
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	GHSR	60	40
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	MMP9	22	48
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	CAPN2	15	44
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000852050333	GI	On-Demand	Anodyne	MC1R	63	36
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050345	EC	On-Demand	Anodyne	CHRM2	24	40
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050345	EC	On-Demand	Anodyne	SLC6A1	63	33
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050345	EC	On-Demand	Anodyne	CHRM3	41	40
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050345	EC	On-Demand	Anodyne	SIGMAR1	18	40
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050345	EC	On-Demand	Anodyne	PREP	83	40
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050345	EC	On-Demand	Anodyne	CYP2J2	49	35
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050346	EC	On-Demand	Anodyne	CHRM2	24	40
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050346	EC	On-Demand	Anodyne	SLC6A1	63	33
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050346	EC	On-Demand	Anodyne	CHRM3	41	40
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050346	EC	On-Demand	Anodyne	SIGMAR1	18	40
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050346	EC	On-Demand	Anodyne	PREP	83	40
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050346	EC	On-Demand	Anodyne	CYP2J2	49	35
NC(=O)[C@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050347	EC	On-Demand	Anodyne	CHRM2	24	40
NC(=O)[C@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050347	EC	On-Demand	Anodyne	SLC6A1	63	33
NC(=O)[C@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050347	EC	On-Demand	Anodyne	CHRM3	41	40
NC(=O)[C@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050347	EC	On-Demand	Anodyne	SIGMAR1	18	40
NC(=O)[C@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050347	EC	On-Demand	Anodyne	PREP	83	40
NC(=O)[C@](O)(CN1CC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050347	EC	On-Demand	Anodyne	CYP2J2	49	35
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050348	EC	On-Demand	Anodyne	CHRM2	24	40
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050348	EC	On-Demand	Anodyne	SLC6A1	63	33
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050348	EC	On-Demand	Anodyne	CHRM3	41	40
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050348	EC	On-Demand	Anodyne	SIGMAR1	18	40
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050348	EC	On-Demand	Anodyne	PREP	83	40
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000852050348	EC	On-Demand	Anodyne	CYP2J2	49	35
O=C([C@@H]1CCN(CC2=NS(=O)(=O)c3ccccc32)C1)N1CCCC1	ZINC000852050356	ED	On-Demand	Anodyne	PREP	41	37
O=C([C@H]1CCN(CC2=NS(=O)(=O)c3ccccc32)C1)N1CCCC1	ZINC000852050357	ED	On-Demand	Anodyne	PREP	41	37
N#CCOc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852050360	GH	On-Demand	Mild	KCNH2	42	41
N#CCOc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852050360	GH	On-Demand	Mild	EPHX2	18	41
Cc1nnc(CN(C)C(=O)NNC(=O)CCCc2ccccc2)o1	ZINC000852050365	ED	On-Demand	Reactive	FAAH	57	39
Cc1nnc(CN(C)C(=O)NNC(=O)CCCc2ccccc2)o1	ZINC000852050365	ED	On-Demand	Reactive	CES1	54	36
Cc1nnc(CN(C)C(=O)NNC(=O)CCCc2ccccc2)o1	ZINC000852050365	ED	On-Demand	Reactive	CES1D	43	29
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050396	FE	On-Demand	Reactive	PREP	53	38
C#CCOCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852050405	DG	On-Demand	Mild	HTR1A	28	53
C#CCOCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852050405	DG	On-Demand	Mild	DRD2	23	55
C#CCOCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852050405	DG	On-Demand	Mild	HTR1D	51	59
C#CCOCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852050405	DG	On-Demand	Mild	HTR1B	53	59
C#CCOCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852050405	DG	On-Demand	Mild	HTR2A	15	53
C#CCOCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852050405	DG	On-Demand	Mild	SLC6A4	37	55
C#CCOCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852050405	DG	On-Demand	Mild	HTR1F	69	44
C#CCOCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852050405	DG	On-Demand	Mild	MPO	77	47
C[C@@H]1C[C@H]1NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000852050411	GE	On-Demand	Anodyne	EPHX2	20	46
C[C@H]1C[C@H]1NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000852050412	GE	On-Demand	Anodyne	EPHX2	20	46
C[C@@H]1C[C@@H]1NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000852050414	GE	On-Demand	Anodyne	EPHX2	20	46
O=C(CCCc1ccccc1)NNC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852050448	FD	On-Demand	Reactive	SIGMAR1	21	42
O=C(CCCc1ccccc1)NNC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852050448	FD	On-Demand	Reactive	PREP	42	37
O=C(CCCc1ccccc1)NNC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852050449	FD	On-Demand	Reactive	SIGMAR1	21	42
O=C(CCCc1ccccc1)NNC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852050449	FD	On-Demand	Reactive	PREP	42	37
Fc1ccc2[nH]cc(C3CCN(Cc4cccc(F)n4)CC3)c2c1	ZINC000852050462	EI	On-Demand	Anodyne	HTR1A	24	52
Fc1ccc2[nH]cc(C3CCN(Cc4cccc(F)n4)CC3)c2c1	ZINC000852050462	EI	On-Demand	Anodyne	HTR1D	37	52
Fc1ccc2[nH]cc(C3CCN(Cc4cccc(F)n4)CC3)c2c1	ZINC000852050462	EI	On-Demand	Anodyne	HTR1B	34	52
Fc1ccc2[nH]cc(C3CCN(Cc4cccc(F)n4)CC3)c2c1	ZINC000852050462	EI	On-Demand	Anodyne	SLC6A4	35	50
Fc1ccc2[nH]cc(C3CCN(Cc4cccc(F)n4)CC3)c2c1	ZINC000852050462	EI	On-Demand	Anodyne	HTR1F	73	42
Fc1ccc2[nH]cc(C3CCN(Cc4cccc(F)n4)CC3)c2c1	ZINC000852050462	EI	On-Demand	Anodyne	MPO	73	43
Fc1ccc2[nH]cc(C3CCN(Cc4cccc(F)n4)CC3)c2c1	ZINC000852050462	EI	On-Demand	Anodyne	CCR2	17	40
CCOc1ccccc1CCNC(=O)NNc1ccc(Cl)cn1	ZINC000852050470	EG	On-Demand	Reactive	F10	48	31
CCOc1ccccc1CCNC(=O)NNc1ccc(Cl)cn1	ZINC000852050470	EG	On-Demand	Reactive	HCN1	48	32
CCOc1ccccc1CCNC(=O)NNc1ccc(Cl)cn1	ZINC000852050470	EG	On-Demand	Reactive	HCN4	40	31
CCOc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852050471	FC	On-Demand	Reactive	HCN1	50	35
CCOc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852050471	FC	On-Demand	Reactive	HCN4	41	32
CCOc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852050472	FC	On-Demand	Reactive	HCN1	50	35
CCOc1ccccc1CCNC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852050472	FC	On-Demand	Reactive	HCN4	41	32
CCOc1ccccc1CCNC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852050473	FC	On-Demand	Reactive	HCN1	50	35
CCOc1ccccc1CCNC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852050473	FC	On-Demand	Reactive	HCN4	41	32
CCOc1ccccc1CCNC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852050474	FC	On-Demand	Reactive	HCN1	50	35
CCOc1ccccc1CCNC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852050474	FC	On-Demand	Reactive	HCN4	41	32
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	DRD4	26	41
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	HTR7	17	42
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	SSTR5	59	36
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	CCR3	26	40
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	MTNR1A	74	46
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	MTNR1B	57	46
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	MCHR1	20	45
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	MBTPS1	48	34
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	HCN1	47	31
CCOc1ccccc1CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050492	GG	On-Demand	Clean	HCN4	40	31
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	DRD4	26	41
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	HTR7	17	42
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	SSTR5	59	36
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	CCR3	26	40
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	MTNR1A	74	46
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	MTNR1B	57	46
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	MCHR1	20	45
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	MBTPS1	48	34
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	HCN1	47	31
CCOc1ccccc1CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852050493	GG	On-Demand	Clean	HCN4	40	31
CCOc1ccccc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852050503	GG	On-Demand	Clean	CCR3	17	43
CCOc1ccccc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852050503	GG	On-Demand	Clean	MBTPS1	49	34
CCOc1ccccc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852050503	GG	On-Demand	Clean	HCN1	56	35
CCOc1ccccc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852050503	GG	On-Demand	Clean	HCN4	45	35
Cc1csc([C@H](C)NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)n1	ZINC000852050510	GI	On-Demand	Anodyne	ROCK2	19	44
CCOc1ccccc1CCNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852050544	FE	On-Demand	Anodyne	HCN1	50	35
CCOc1ccccc1CCNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852050544	FE	On-Demand	Anodyne	HCN4	43	35
COc1cccc([C@]2(C)CCN(C(=O)NCc3ccc(OCC#N)cc3)C2)c1	ZINC000852050553	GG	On-Demand	Mild	DRD4	40	30
O=C(NCCCCCc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852050582	DG	On-Demand	Anodyne	EPHX2	19	50
O=C(NCCCCCc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852050584	DG	On-Demand	Anodyne	EPHX2	19	50
C[C@H]1c2nnc(C3CCCC3)n2CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852050595	FD	On-Demand	Anodyne	AMY2	45	31
C[C@H]1c2nnc(C3CCCC3)n2CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852050599	FD	On-Demand	Anodyne	AMY2	45	31
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050601	EG	On-Demand	Anodyne	CTSK	17	46
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050601	EG	On-Demand	Anodyne	REN	37	40
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050601	EG	On-Demand	Anodyne	GBA2	41	38
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050601	EG	On-Demand	Anodyne	FPR1	42	35
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050601	EG	On-Demand	Anodyne	NAAA	39	41
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	HRH2	20	41
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	SCNN1A	56	41
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	SIGMAR1	18	46
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	SCN2A	17	40
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	S1PR3	18	43
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	MTNR1A	23	41
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	MTNR1B	26	41
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	FAAH	88	44
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	S1PR2	18	43
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	SLC6A5	22	42
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	CES1	79	42
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	EPHX2	16	46
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	AMP1_PLAFQ	25	45
O=C(NCCCCCc1ccccc1)NCc1ncccn1	ZINC000852050622	CF	On-Demand	Anodyne	CES1D	46	33
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	TACR1	22	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	CCKAR	50	39
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	MPO	62	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	BRS3	25	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	NMBR	46	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	GRPR	47	32
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	ECE1	41	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	MMP11	82	34
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	CCKBR	43	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	GHSR	41	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050623	GI	On-Demand	Anodyne	ERAP2	40	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	TACR1	22	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	CCKAR	50	39
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	MPO	62	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	BRS3	25	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	NMBR	46	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	GRPR	47	32
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	ECE1	41	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	MMP11	82	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	CCKBR	43	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	GHSR	41	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1F	ZINC000852050624	GI	On-Demand	Anodyne	ERAP2	40	36
NC(=O)[C@](O)(CN[C@H](CCO)c1ccc(Cl)cc1)c1ccccc1	ZINC000852050634	ED	On-Demand	Anodyne	UTS2	43	36
NC(=O)[C@@](O)(CN[C@@H](CCO)c1ccc(Cl)cc1)c1ccccc1	ZINC000852050635	ED	On-Demand	Anodyne	UTS2	43	36
NC(=O)[C@@](O)(CN[C@H](CCO)c1ccc(Cl)cc1)c1ccccc1	ZINC000852050636	ED	On-Demand	Anodyne	UTS2	43	36
NC(=O)[C@](O)(CN[C@@H](CCO)c1ccc(Cl)cc1)c1ccccc1	ZINC000852050637	ED	On-Demand	Anodyne	UTS2	43	36
CO[C@@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050678	CD	On-Demand	Reactive	PAPA1_CARPA	48	34
CO[C@@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050678	CD	On-Demand	Reactive	CAPN1	42	37
CO[C@@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050678	CD	On-Demand	Reactive	CAPN2	64	36
CO[C@@H](C)CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050678	CD	On-Demand	Reactive	NPR	46	33
Cc1ccncc1CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050689	EE	On-Demand	Reactive	BRS3	15	43
Cc1ccncc1CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050689	EE	On-Demand	Reactive	FAAH	49	35
Cc1ccncc1CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050689	EE	On-Demand	Reactive	CES1	47	33
Cc1ccncc1CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852050689	EE	On-Demand	Reactive	CES1D	44	31
NC(=O)[C@@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050701	GF	On-Demand	Anodyne	HTR1A	27	51
NC(=O)[C@@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050701	GF	On-Demand	Anodyne	HTR1D	43	51
NC(=O)[C@@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050701	GF	On-Demand	Anodyne	HTR1B	37	51
NC(=O)[C@@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050701	GF	On-Demand	Anodyne	SLC6A4	37	51
NC(=O)[C@@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050701	GF	On-Demand	Anodyne	HTR1F	89	47
NC(=O)[C@@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050701	GF	On-Demand	Anodyne	MPO	67	39
NC(=O)[C@@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050701	GF	On-Demand	Anodyne	CCR2	34	43
NC(=O)[C@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050702	GF	On-Demand	Anodyne	HTR1A	27	51
NC(=O)[C@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050702	GF	On-Demand	Anodyne	HTR1D	43	51
NC(=O)[C@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050702	GF	On-Demand	Anodyne	HTR1B	37	51
NC(=O)[C@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050702	GF	On-Demand	Anodyne	SLC6A4	37	51
NC(=O)[C@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050702	GF	On-Demand	Anodyne	HTR1F	89	47
NC(=O)[C@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050702	GF	On-Demand	Anodyne	MPO	67	39
NC(=O)[C@](O)(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1	ZINC000852050702	GF	On-Demand	Anodyne	CCR2	34	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3C)C2)cc1	ZINC000852050746	CD	On-Demand	Clean	EPHX2	18	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3C)C2)cc1	ZINC000852050747	CD	On-Demand	Clean	EPHX2	18	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3C)C2)cc1	ZINC000852050748	CD	On-Demand	Clean	EPHX2	18	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3C)C2)cc1	ZINC000852050749	CD	On-Demand	Clean	EPHX2	18	45
O=C([C@@H]1CCN(Cc2cccc(F)n2)C1)N1CCCC1	ZINC000852050786	CD	On-Demand	Anodyne	SLC6A1	40	33
O=C([C@@H]1CCN(Cc2cccc(F)n2)C1)N1CCCC1	ZINC000852050786	CD	On-Demand	Anodyne	PREP	41	34
O=C([C@H]1CCN(Cc2cccc(F)n2)C1)N1CCCC1	ZINC000852050787	CD	On-Demand	Anodyne	SLC6A1	40	33
O=C([C@H]1CCN(Cc2cccc(F)n2)C1)N1CCCC1	ZINC000852050787	CD	On-Demand	Anodyne	PREP	41	34
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050791	EG	On-Demand	Anodyne	CTSK	17	46
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050791	EG	On-Demand	Anodyne	REN	37	40
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050791	EG	On-Demand	Anodyne	GBA2	41	38
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050791	EG	On-Demand	Anodyne	FPR1	42	35
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050791	EG	On-Demand	Anodyne	NAAA	39	41
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050793	EG	On-Demand	Anodyne	CTSK	17	46
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050793	EG	On-Demand	Anodyne	REN	37	40
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050793	EG	On-Demand	Anodyne	GBA2	41	38
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050793	EG	On-Demand	Anodyne	FPR1	42	35
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852050793	EG	On-Demand	Anodyne	NAAA	39	41
C#C[C@H](NC(=O)NCCCCCc1ccccc1)C1CCOCC1	ZINC000852050798	EG	On-Demand	Mild	MMP2	42	35
C#C[C@@H](NC(=O)NCCCCCc1ccccc1)C1CCOCC1	ZINC000852050800	EG	On-Demand	Mild	MMP2	42	35
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(OCC#N)cc1	ZINC000852050808	DG	On-Demand	Mild	ANPEP	16	45
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(OCC#N)cc1	ZINC000852050808	DG	On-Demand	Mild	CTRB_BOVIN	44	31
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@@H]1C[C@@H]1c1ccccc1	ZINC000852050817	DH	On-Demand	Anodyne	EPHX2	21	41
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1[C@@H]1C[C@@H]1c1ccccc1	ZINC000852050821	DH	On-Demand	Anodyne	EPHX2	21	41
N#CCOc1ccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1	ZINC000852050860	GH	On-Demand	Mild	TRPM8	21	46
CS(=O)(=O)N1CCN(CCNC(=O)NCc2ncccn2)CC1	ZINC000852050946	EA	On-Demand	Anodyne	HTR1A	16	47
CC(C)(C)OC(=O)N1CC[C@H](N2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852050980	ED	On-Demand	Anodyne	GPR119	45	43
CC(C)(C)OC(=O)N1CC[C@H](N2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852050980	ED	On-Demand	Anodyne	L3MBTL3	61	40
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852050981	ED	On-Demand	Anodyne	GPR119	45	43
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852050981	ED	On-Demand	Anodyne	L3MBTL3	61	40
O=C(CCCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852051000	DE	On-Demand	Reactive	SIGMAR1	28	43
O=C(CCCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852051000	DE	On-Demand	Reactive	PREP	56	41
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(Cc3cccc(F)n3)CC2)C1	ZINC000852051052	FE	On-Demand	Anodyne	GPR119	46	43
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(Cc3cccc(F)n3)CC2)C1	ZINC000852051054	FE	On-Demand	Anodyne	GPR119	46	43
O=C(CCCc1ccccc1)NNC(=O)NCCc1noc2ccccc12	ZINC000852051055	FF	On-Demand	Reactive	BRS3	21	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000852051068	JI	On-Demand	Anodyne	BRS3	24	47
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000852051068	JI	On-Demand	Anodyne	MMP8	28	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000852051068	JI	On-Demand	Anodyne	MMP11	56	33
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000852051068	JI	On-Demand	Anodyne	AANAT	51	29
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000852051071	JI	On-Demand	Anodyne	BRS3	24	47
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000852051071	JI	On-Demand	Anodyne	MMP8	28	46
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000852051071	JI	On-Demand	Anodyne	MMP11	56	33
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000852051071	JI	On-Demand	Anodyne	AANAT	51	29
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CCCc1ccccc1	ZINC000852051081	ED	On-Demand	Reactive	PREP	21	40
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CCCc1ccccc1	ZINC000852051081	ED	On-Demand	Reactive	FAAH	26	40
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CCCc1ccccc1	ZINC000852051081	ED	On-Demand	Reactive	DAGLA	16	40
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	HTR1A	30	54
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	DRD2	24	57
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	HTR1D	51	56
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	HTR1B	55	56
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	HTR2A	15	54
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	SLC6A4	50	57
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	ADRA1B	16	55
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	SLC6A3	35	41
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	HTR1F	59	45
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	MPO	81	45
Fc1ccc2[nH]cc(C3CCN(CCOC(F)F)CC3)c2c1	ZINC000852051126	DH	On-Demand	Anodyne	CCR2	23	42
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852051142	FG	On-Demand	Reactive	SLC6A3	17	42
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852051142	FG	On-Demand	Reactive	SIGMAR1	34	43
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852051142	FG	On-Demand	Reactive	CCR3	19	40
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852051142	FG	On-Demand	Reactive	PREP	60	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852051143	FG	On-Demand	Reactive	SLC6A3	17	42
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852051143	FG	On-Demand	Reactive	SIGMAR1	34	43
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852051143	FG	On-Demand	Reactive	CCR3	19	40
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852051143	FG	On-Demand	Reactive	PREP	60	41
CC[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)C1CC1	ZINC000852051170	DF	On-Demand	Reactive	PREP	30	43
CC[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)C1CC1	ZINC000852051170	DF	On-Demand	Reactive	MMP2	34	40
CC[C@@H](NC(=O)NNC(=O)CCCc1ccccc1)C1CC1	ZINC000852051170	DF	On-Demand	Reactive	MMP3	28	40
O=C([C@H]1CCN(CCOC(F)F)C1)N1CCCC1	ZINC000852051178	CD	On-Demand	Anodyne	SLC6A1	52	36
O=C([C@@H]1CCN(CCOC(F)F)C1)N1CCCC1	ZINC000852051180	CD	On-Demand	Anodyne	SLC6A1	52	36
N#CCOc1ccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852051201	FF	On-Demand	Mild	LTA4H	40	39
N#CCOc1ccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852051201	FF	On-Demand	Mild	SIGMAR1	19	41
N#CCOc1ccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852051202	FF	On-Demand	Mild	LTA4H	40	39
N#CCOc1ccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852051202	FF	On-Demand	Mild	SIGMAR1	19	41
O=C([C@H]1CCN(C[C@@H](O)c2ccccn2)C1)N1CCCC1	ZINC000852051264	CD	On-Demand	Anodyne	PREP	46	37
O=C([C@@H]1CCN(C[C@H](O)c2ccccn2)C1)N1CCCC1	ZINC000852051266	CD	On-Demand	Anodyne	PREP	46	37
O=C([C@@H]1CCN(C[C@@H](O)c2ccccn2)C1)N1CCCC1	ZINC000852051268	CD	On-Demand	Anodyne	PREP	46	37
O=C([C@H]1CCN(C[C@H](O)c2ccccn2)C1)N1CCCC1	ZINC000852051270	CD	On-Demand	Anodyne	PREP	46	37
CCOc1ccccc1CCNC(=O)NCc1ncccn1	ZINC000852051326	DD	On-Demand	Anodyne	MTNR1A	48	40
CCOc1ccccc1CCNC(=O)NCc1ncccn1	ZINC000852051326	DD	On-Demand	Anodyne	HCN1	49	34
CCOc1ccccc1CCNC(=O)NCc1ncccn1	ZINC000852051326	DD	On-Demand	Anodyne	HCN4	41	34
CC[C@H](C)N(CCO)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852051335	CC	On-Demand	Anodyne	AMY2	55	35
CC[C@H](C)N(CCO)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852051336	CC	On-Demand	Anodyne	AMY2	55	35
C#CCOCCN1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000852051357	CC	On-Demand	Mild	SLC6A1	45	39
C#CCOCCN1CC[C@H](C(=O)N2CCCC2)C1	ZINC000852051358	CC	On-Demand	Mild	SLC6A1	45	39
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051373	EF	On-Demand	Reactive	TYK2	54	39
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051373	EF	On-Demand	Reactive	RBP4	53	35
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051373	EF	On-Demand	Reactive	L3MBTL3	86	40
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051374	EF	On-Demand	Reactive	TYK2	54	39
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051374	EF	On-Demand	Reactive	RBP4	53	35
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051374	EF	On-Demand	Reactive	L3MBTL3	86	40
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051375	EF	On-Demand	Reactive	TYK2	54	39
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051375	EF	On-Demand	Reactive	RBP4	53	35
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051375	EF	On-Demand	Reactive	L3MBTL3	86	40
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051376	EF	On-Demand	Reactive	TYK2	54	39
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051376	EF	On-Demand	Reactive	RBP4	53	35
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852051376	EF	On-Demand	Reactive	L3MBTL3	86	40
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCOCc3ccccc3)CC2)C1	ZINC000852051381	GF	On-Demand	Anodyne	SIGMAR1	21	41
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCOCc3ccccc3)CC2)C1	ZINC000852051382	GF	On-Demand	Anodyne	SIGMAR1	21	41
NC(=O)c1cccc2c1CCN(C(=O)NNC(=O)CCCc1ccccc1)C2	ZINC000852051387	GD	On-Demand	Reactive	PREP	44	39
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)C1	ZINC000852051391	FG	On-Demand	Anodyne	SLC18A3	43	39
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)C1	ZINC000852051391	FG	On-Demand	Anodyne	GPR119	38	43
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)C1	ZINC000852051391	FG	On-Demand	Anodyne	L3MBTL3	52	36
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852051401	FE	On-Demand	Reactive	CHRM4	15	52
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852051401	FE	On-Demand	Reactive	SIGMAR1	27	40
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852051401	FE	On-Demand	Reactive	CCR3	44	42
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852051401	FE	On-Demand	Reactive	PREP	62	40
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852051402	FE	On-Demand	Reactive	CHRM4	15	52
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852051402	FE	On-Demand	Reactive	SIGMAR1	27	40
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852051402	FE	On-Demand	Reactive	CCR3	44	42
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852051402	FE	On-Demand	Reactive	PREP	62	40
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051417	GG	On-Demand	Reactive	SLC6A5	18	43
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051417	GG	On-Demand	Reactive	EPHX2	24	40
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051417	GG	On-Demand	Reactive	L3MBTL3	72	37
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051418	GG	On-Demand	Reactive	SLC6A5	18	43
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051418	GG	On-Demand	Reactive	EPHX2	24	40
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051418	GG	On-Demand	Reactive	L3MBTL3	72	37
O=C(CCCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852051419	ED	On-Demand	Reactive	PREP	42	38
O=C(CCCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852051420	ED	On-Demand	Reactive	PREP	42	38
O=C(CCCc1ccccc1)NNC(=O)N1CC2(CCC2)[C@@H]1c1ccncc1	ZINC000852051421	GG	On-Demand	Reactive	PREP	47	37
O=C(CCCc1ccccc1)NNC(=O)N1CC2(CCC2)[C@H]1c1ccncc1	ZINC000852051422	GG	On-Demand	Reactive	PREP	47	37
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852051428	FF	On-Demand	Reactive	PREP	62	39
C[C@@]1(C#N)CCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852051431	DD	On-Demand	Reactive	GHRHR	44	33
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852051452	FH	On-Demand	Reactive	ECR	52	37
C[C@@H]1C[C@H]1NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852051457	FG	On-Demand	Anodyne	GPR119	18	41
C[C@@H]1C[C@H]1NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852051459	FG	On-Demand	Anodyne	GPR119	18	41
C[C@@H]1C[C@@H]1NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852051462	FG	On-Demand	Anodyne	GPR119	18	41
C[C@@H]1C[C@@H]1NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852051467	FG	On-Demand	Anodyne	GPR119	18	41
COc1cccc(OC)c1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852051472	FF	On-Demand	Reactive	MTNR1A	30	40
COc1cccc(OC)c1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852051472	FF	On-Demand	Reactive	MTNR1B	36	44
COc1cccc(OC)c1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852051472	FF	On-Demand	Reactive	FFAR1	20	40
Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852051490	FE	On-Demand	Clean	VHL	51	33
Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852051491	FE	On-Demand	Clean	VHL	51	33
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852051522	EE	On-Demand	Reactive	FKBP1A	35	41
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852051522	EE	On-Demand	Reactive	PREP	47	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852051523	EE	On-Demand	Reactive	FKBP1A	35	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852051523	EE	On-Demand	Reactive	PREP	47	42
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051533	FF	On-Demand	Reactive	FKBP1A	38	41
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051533	FF	On-Demand	Reactive	SIGMAR1	32	45
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051533	FF	On-Demand	Reactive	PREP	71	40
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051533	FF	On-Demand	Reactive	SLC6A5	19	45
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051533	FF	On-Demand	Reactive	EPHX2	19	57
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852051533	FF	On-Demand	Reactive	BIRC2	27	42
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051535	FF	On-Demand	Reactive	FKBP1A	38	41
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051535	FF	On-Demand	Reactive	SIGMAR1	32	45
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051535	FF	On-Demand	Reactive	PREP	71	40
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051535	FF	On-Demand	Reactive	SLC6A5	19	45
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051535	FF	On-Demand	Reactive	EPHX2	19	57
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852051535	FF	On-Demand	Reactive	BIRC2	27	42
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852051538	DF	On-Demand	Anodyne	AMY2	46	31
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852051538	DF	On-Demand	Anodyne	CYP2J2	52	39
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852051543	DF	On-Demand	Anodyne	AMY2	46	31
C[C@@H]1C[C@@H](C(C)(C)C)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852051543	DF	On-Demand	Anodyne	CYP2J2	52	39
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852051547	DD	On-Demand	Reactive	TIMP3	65	35
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852051547	DD	On-Demand	Reactive	EPHX2	17	48
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852051547	DD	On-Demand	Reactive	NAAA	45	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	ACE	15	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	MME	23	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	EDNRA	30	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	TACR1	25	44
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	CCKAR	93	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	CTSL	23	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	BRS3	26	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	NMBR	47	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	MC5R	47	34
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	MMP2	25	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	GRPR	52	33
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	ECE1	54	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	MMP11	83	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	CCKBR	75	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	GHSR	58	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	MMP9	23	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	MC1R	47	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	NPR	26	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051622	IK	On-Demand	Anodyne	ERAP2	41	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	ACE	15	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	MME	23	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	EDNRA	30	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	TACR1	25	44
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	CCKAR	93	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	CTSL	23	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	BRS3	26	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	NMBR	47	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	MC5R	47	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	MMP2	25	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	GRPR	52	33
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	ECE1	54	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	MMP11	83	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	CCKBR	75	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	GHSR	58	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	MMP9	23	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	MC1R	47	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	NPR	26	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852051623	IK	On-Demand	Anodyne	ERAP2	41	36
COC(=O)N(C)CCNC(=O)NCCc1ccc(OC)c(OC)c1OC	ZINC000852051661	FD	On-Demand	Anodyne	MTNR1A	41	40
CCOc1ccccc1CCNC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852051710	GG	On-Demand	Anodyne	ADRB2	15	40
CCOc1ccccc1CCNC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852051712	GG	On-Demand	Anodyne	ADRB2	15	40
CCOc1ccccc1CCNC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852051717	EE	On-Demand	Anodyne	HCN1	50	34
CCOc1ccccc1CCNC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852051717	EE	On-Demand	Anodyne	HCN4	41	32
NC(=O)[C@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051745	FE	On-Demand	Anodyne	CHRM2	25	45
NC(=O)[C@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051745	FE	On-Demand	Anodyne	CHRM1	25	45
NC(=O)[C@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051745	FE	On-Demand	Anodyne	SLC6A1	75	36
NC(=O)[C@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051745	FE	On-Demand	Anodyne	CHRM4	24	45
NC(=O)[C@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051745	FE	On-Demand	Anodyne	CHRM5	18	45
NC(=O)[C@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051745	FE	On-Demand	Anodyne	CHRM3	43	45
NC(=O)[C@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051745	FE	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051745	FE	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051746	FE	On-Demand	Anodyne	CHRM2	25	45
NC(=O)[C@@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051746	FE	On-Demand	Anodyne	CHRM1	25	45
NC(=O)[C@@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051746	FE	On-Demand	Anodyne	SLC6A1	75	36
NC(=O)[C@@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051746	FE	On-Demand	Anodyne	CHRM4	24	45
NC(=O)[C@@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051746	FE	On-Demand	Anodyne	CHRM5	18	45
NC(=O)[C@@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051746	FE	On-Demand	Anodyne	CHRM3	43	45
NC(=O)[C@@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051746	FE	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@@](O)(CN(CCN1CCCCCC1)C1CCC1)c1ccccc1	ZINC000852051746	FE	On-Demand	Anodyne	CYP2J2	48	34
CNS(=O)(=O)c1ccc(CN2Cc3cccc(Cl)c3C2)cc1	ZINC000852051764	EF	On-Demand	Anodyne	NOD2	41	34
CCOc1ccccc1CCNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852051766	GG	On-Demand	Anodyne	MBTPS1	50	35
CCOc1ccccc1CCNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852051766	GG	On-Demand	Anodyne	HCN1	50	36
CCOc1ccccc1CCNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852051766	GG	On-Demand	Anodyne	HCN4	42	32
N#CC1(CNC(=O)NNC(=O)c2c(Cl)cccc2Cl)CCCCC1	ZINC000852051785	FG	On-Demand	Reactive	HCN1	50	31
N#CC1(CNC(=O)NNC(=O)c2c(Cl)cccc2Cl)CCCCC1	ZINC000852051785	FG	On-Demand	Reactive	HCN4	48	31
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852051786	GF	On-Demand	Reactive	P2RX7	25	41
O=C(NNC(=O)N1CCC(c2ccon2)CC1)c1c(Cl)cccc1Cl	ZINC000852051788	GG	On-Demand	Reactive	SMO	36	41
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(Cc3cnc4ccccc4n3)CC2)C1	ZINC000852051790	GF	On-Demand	Anodyne	GPR119	44	40
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(Cc3cnc4ccccc4n3)CC2)C1	ZINC000852051793	GF	On-Demand	Anodyne	GPR119	44	40
O=C(CCCc1ccccc1)NNC(=O)NCc1cc(F)ccc1OC(F)F	ZINC000852051815	GG	On-Demand	Reactive	P2RX7	29	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	HTR1D	42	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	HTR1B	32	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	SSTR2	60	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	EDNRA	32	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	TACR1	27	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	KCNQ2	26	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	CCKAR	43	38
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	NMBR	87	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	MMP2	22	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	GRPR	69	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	ECE1	48	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	MMP11	62	33
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	CCKBR	46	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	GHSR	49	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051824	HI	On-Demand	Anodyne	MMP9	21	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	HTR1D	42	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	HTR1B	32	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	SSTR2	60	34
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	EDNRA	32	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	TACR1	27	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	KCNQ2	26	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	CCKAR	43	38
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	NMBR	87	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	MMP2	22	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	GRPR	69	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	ECE1	48	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	MMP11	62	33
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	CCKBR	46	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	GHSR	49	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852051825	HI	On-Demand	Anodyne	MMP9	21	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852051842	DE	On-Demand	Reactive	GRIN2B	42	38
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852051842	DE	On-Demand	Reactive	SIGMAR1	33	44
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852051842	DE	On-Demand	Reactive	PREP	66	44
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852051842	DE	On-Demand	Reactive	EPHX2	17	48
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852051842	DE	On-Demand	Reactive	RBP4	52	34
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852051843	DE	On-Demand	Reactive	GRIN2B	42	38
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852051843	DE	On-Demand	Reactive	SIGMAR1	33	44
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852051843	DE	On-Demand	Reactive	PREP	66	44
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852051843	DE	On-Demand	Reactive	EPHX2	17	48
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852051843	DE	On-Demand	Reactive	RBP4	52	34
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852051844	DE	On-Demand	Reactive	GRIN2B	42	38
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852051844	DE	On-Demand	Reactive	SIGMAR1	33	44
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852051844	DE	On-Demand	Reactive	PREP	66	44
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852051844	DE	On-Demand	Reactive	EPHX2	17	48
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852051844	DE	On-Demand	Reactive	RBP4	52	34
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852051845	DE	On-Demand	Reactive	GRIN2B	42	38
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852051845	DE	On-Demand	Reactive	SIGMAR1	33	44
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852051845	DE	On-Demand	Reactive	PREP	66	44
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852051845	DE	On-Demand	Reactive	EPHX2	17	48
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852051845	DE	On-Demand	Reactive	RBP4	52	34
CO[C@@H]1CC[C@@H](N2CCC(c3c[nH]c4ccc(F)cc34)CC2)C1	ZINC000852051860	DI	On-Demand	Anodyne	HTR1A	17	60
CO[C@@H]1CC[C@@H](N2CCC(c3c[nH]c4ccc(F)cc34)CC2)C1	ZINC000852051860	DI	On-Demand	Anodyne	HTR1D	27	48
CO[C@@H]1CC[C@@H](N2CCC(c3c[nH]c4ccc(F)cc34)CC2)C1	ZINC000852051860	DI	On-Demand	Anodyne	HTR1B	25	52
CO[C@@H]1CC[C@@H](N2CCC(c3c[nH]c4ccc(F)cc34)CC2)C1	ZINC000852051860	DI	On-Demand	Anodyne	SLC6A4	29	66
CO[C@@H]1CC[C@@H](N2CCC(c3c[nH]c4ccc(F)cc34)CC2)C1	ZINC000852051860	DI	On-Demand	Anodyne	HTR1F	55	46
CO[C@@H]1CC[C@@H](N2CCC(c3c[nH]c4ccc(F)cc34)CC2)C1	ZINC000852051860	DI	On-Demand	Anodyne	MPO	76	38
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	ACE	51	38
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	MME	55	38
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	SIGMAR1	21	40
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	CTSB	25	40
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	CTSK	39	40
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	CTSL	32	40
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	TIMP3	48	36
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	CAPNS1	62	35
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	REN	48	40
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	CAPN1	47	40
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	CAPN2	36	40
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	EPHX2	33	40
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	ACE2	41	32
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051883	EF	On-Demand	Anodyne	CCR8	53	37
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	ACE	51	38
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	MME	55	38
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	SIGMAR1	21	40
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	CTSB	25	40
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	CTSK	39	40
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	CTSL	32	40
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	TIMP3	48	36
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	CAPNS1	62	35
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	REN	48	40
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	CAPN1	47	40
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	CAPN2	36	40
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	EPHX2	33	40
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	ACE2	41	32
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852051884	EF	On-Demand	Anodyne	CCR8	53	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051887	HH	On-Demand	Anodyne	HTR1A	16	55
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051887	HH	On-Demand	Anodyne	HTR1D	37	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051887	HH	On-Demand	Anodyne	HTR1B	26	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051887	HH	On-Demand	Anodyne	TACR1	27	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051887	HH	On-Demand	Anodyne	MPO	80	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051888	HH	On-Demand	Anodyne	HTR1A	16	55
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051888	HH	On-Demand	Anodyne	HTR1D	37	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051888	HH	On-Demand	Anodyne	HTR1B	26	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051888	HH	On-Demand	Anodyne	TACR1	27	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852051888	HH	On-Demand	Anodyne	MPO	80	42
O=S1(=O)N=C(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21	ZINC000852051918	GH	On-Demand	Anodyne	HTR1A	21	51
O=S1(=O)N=C(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21	ZINC000852051918	GH	On-Demand	Anodyne	DRD2	15	51
O=S1(=O)N=C(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21	ZINC000852051918	GH	On-Demand	Anodyne	HTR1D	31	49
O=S1(=O)N=C(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21	ZINC000852051918	GH	On-Demand	Anodyne	HTR1B	29	49
O=S1(=O)N=C(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21	ZINC000852051918	GH	On-Demand	Anodyne	SLC6A4	28	51
O=S1(=O)N=C(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21	ZINC000852051918	GH	On-Demand	Anodyne	HTR1F	74	43
O=S1(=O)N=C(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21	ZINC000852051918	GH	On-Demand	Anodyne	MPO	56	42
O=S1(=O)N=C(CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)c2ccccc21	ZINC000852051918	GH	On-Demand	Anodyne	CCR2	21	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2C)O1	ZINC000852051933	ED	On-Demand	Reactive	DRD4	20	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2C[C@@H]2C)O1	ZINC000852051934	ED	On-Demand	Reactive	DRD4	20	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@@H]2C)O1	ZINC000852051935	ED	On-Demand	Reactive	DRD4	20	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2C[C@H]2C)O1	ZINC000852051936	ED	On-Demand	Reactive	DRD4	20	43
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	FKBP1A	40	39
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	DRD4	25	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	SIGMAR1	33	48
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MMP13	26	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	PREP	46	39
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MTNR1A	19	50
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MTNR1B	23	50
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MMP2	20	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MMP3	41	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MMP9	26	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	EPHX2	16	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MMP7	24	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MMP1	33	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCCc3ccccc3)C2)cc1	ZINC000852051957	GF	On-Demand	Reactive	MCHR1	22	48
Cn1cc(CCNC(=O)NNC(=O)CCCc2ccccc2)c2ccccc21	ZINC000852051958	GG	On-Demand	Reactive	BRS3	24	42
Cn1cc(CCNC(=O)NNC(=O)CCCc2ccccc2)c2ccccc21	ZINC000852051958	GG	On-Demand	Reactive	MTNR1A	20	43
Cn1cc(CCNC(=O)NNC(=O)CCCc2ccccc2)c2ccccc21	ZINC000852051958	GG	On-Demand	Reactive	MTNR1B	19	43
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCC(F)(F)CC1	ZINC000852051963	DD	On-Demand	Anodyne	CHRM2	18	42
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCC(F)(F)CC1	ZINC000852051963	DD	On-Demand	Anodyne	CHRM1	22	42
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCC(F)(F)CC1	ZINC000852051963	DD	On-Demand	Anodyne	CHRM3	32	42
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCC(F)(F)CC1	ZINC000852051963	DD	On-Demand	Anodyne	AMY2	57	33
CCOc1ccccc1CCNC(=O)N1CCn2ncc(Br)c2C1	ZINC000852051991	GF	On-Demand	Anodyne	HCN1	49	34
CCOc1ccccc1CCNC(=O)N1CCn2ncc(Br)c2C1	ZINC000852051991	GF	On-Demand	Anodyne	HCN4	40	31
CCOc1ccccc1CCNC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852052006	FF	On-Demand	Anodyne	HCN1	52	36
CCOc1ccccc1CCNC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852052006	FF	On-Demand	Anodyne	HCN4	46	36
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052104	EG	On-Demand	Reactive	CES1	40	42
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CC(=O)Nc3cnccn3)CC2)C1	ZINC000852052106	GD	On-Demand	Anodyne	GPR119	38	48
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CC(=O)Nc3cnccn3)CC2)C1	ZINC000852052108	GD	On-Demand	Anodyne	GPR119	38	48
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852052130	FG	On-Demand	Reactive	PREP	75	45
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852052131	FG	On-Demand	Reactive	PREP	75	45
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852052132	FG	On-Demand	Reactive	PREP	75	45
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852052133	FG	On-Demand	Reactive	PREP	75	45
CCC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052140	DE	On-Demand	Anodyne	MME	61	37
CCC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052140	DE	On-Demand	Anodyne	PAPA1_CARPA	45	36
CCC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052140	DE	On-Demand	Anodyne	CAPNS1	52	35
CCC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052140	DE	On-Demand	Anodyne	CAPN1	43	37
CCC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052140	DE	On-Demand	Anodyne	CAPN2	55	35
CCC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052140	DE	On-Demand	Anodyne	FPR1	18	40
CCC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052140	DE	On-Demand	Anodyne	CTRB_BOVIN	55	33
CCC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052141	DE	On-Demand	Anodyne	MME	61	37
CCC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052141	DE	On-Demand	Anodyne	PAPA1_CARPA	45	36
CCC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052141	DE	On-Demand	Anodyne	CAPNS1	52	35
CCC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052141	DE	On-Demand	Anodyne	CAPN1	43	37
CCC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052141	DE	On-Demand	Anodyne	CAPN2	55	35
CCC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052141	DE	On-Demand	Anodyne	FPR1	18	40
CCC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852052141	DE	On-Demand	Anodyne	CTRB_BOVIN	55	33
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852052142	FE	On-Demand	Reactive	TYK2	43	38
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852052142	FE	On-Demand	Reactive	L3MBTL3	55	35
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852052143	FE	On-Demand	Reactive	TYK2	43	38
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852052143	FE	On-Demand	Reactive	L3MBTL3	55	35
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852052144	FE	On-Demand	Reactive	TYK2	43	38
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1c(Cl)cccc1Cl	ZINC000852052144	FE	On-Demand	Reactive	L3MBTL3	55	35
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852052145	FE	On-Demand	Reactive	TYK2	43	38
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1c(Cl)cccc1Cl	ZINC000852052145	FE	On-Demand	Reactive	L3MBTL3	55	35
C#C[C@H](NC(=O)N[C@H](CC)Cc1ccccc1)C1CCOCC1	ZINC000852052178	DF	On-Demand	Mild	MME	45	36
C#C[C@@H](NC(=O)N[C@H](CC)Cc1ccccc1)C1CCOCC1	ZINC000852052179	DF	On-Demand	Mild	MME	45	36
C#C[C@H](NC(=O)N[C@@H](CC)Cc1ccccc1)C1CCOCC1	ZINC000852052180	DF	On-Demand	Mild	MME	45	36
C#C[C@@H](NC(=O)N[C@@H](CC)Cc1ccccc1)C1CCOCC1	ZINC000852052181	DF	On-Demand	Mild	MME	45	36
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052188	EE	On-Demand	Reactive	FKBP1A	41	42
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052188	EE	On-Demand	Reactive	DRD4	18	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052188	EE	On-Demand	Reactive	GHRHR	40	32
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052188	EE	On-Demand	Reactive	SIGMAR1	29	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052188	EE	On-Demand	Reactive	PREP	55	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052188	EE	On-Demand	Reactive	MMP3	18	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052188	EE	On-Demand	Reactive	EPHX2	22	50
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052189	EE	On-Demand	Reactive	FKBP1A	41	42
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052189	EE	On-Demand	Reactive	DRD4	18	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052189	EE	On-Demand	Reactive	GHRHR	40	32
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052189	EE	On-Demand	Reactive	SIGMAR1	29	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052189	EE	On-Demand	Reactive	PREP	55	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052189	EE	On-Demand	Reactive	MMP3	18	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052189	EE	On-Demand	Reactive	EPHX2	22	50
O=C(CCCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852052208	DD	On-Demand	Reactive	PREP	39	42
O=C(CCCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852052209	DD	On-Demand	Reactive	PREP	39	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	TACR1	25	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	CCKAR	47	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	BRS3	24	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	NMBR	23	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	MMP2	16	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	ECE1	45	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	MMP11	59	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	CCKBR	45	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	GHSR	40	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052226	HH	On-Demand	Anodyne	MMP9	16	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	TACR1	25	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	CCKAR	47	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	BRS3	24	43
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	NMBR	23	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	MMP2	16	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	ECE1	45	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	MMP11	59	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	CCKBR	45	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	GHSR	40	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852052227	HH	On-Demand	Anodyne	MMP9	16	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	TACR1	25	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	CCKAR	47	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	BRS3	24	43
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	NMBR	23	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	MMP2	16	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	ECE1	45	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	MMP11	59	34
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	CCKBR	45	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	GHSR	40	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852052228	HH	On-Demand	Anodyne	MMP9	16	42
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	TACR1	25	45
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	CCKAR	47	40
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	BRS3	24	43
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	NMBR	23	42
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	MMP2	16	40
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	ECE1	45	37
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	MMP11	59	34
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	CCKBR	45	36
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	GHSR	40	35
C[C@H](NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2	ZINC000852052229	HH	On-Demand	Anodyne	MMP9	16	42
O=C(CCCc1ccccc1)NNC(=O)NCC(F)(F)c1ccc(F)cc1	ZINC000852052230	GG	On-Demand	Reactive	CES1	28	40
CC(C)(C)OC(=O)N1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@@H](C(F)F)C1	ZINC000852052256	GD	On-Demand	Anodyne	AMY2	51	30
CC(C)(C)OC(=O)N1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@H](C(F)F)C1	ZINC000852052257	GD	On-Demand	Anodyne	AMY2	51	30
CC(C)(C)OC(=O)N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)[C@@H](C(F)F)C1	ZINC000852052258	GD	On-Demand	Anodyne	AMY2	51	30
CC(C)(C)OC(=O)N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)[C@H](C(F)F)C1	ZINC000852052259	GD	On-Demand	Anodyne	AMY2	51	30
C[C@@H]1C[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852052288	DG	On-Demand	Anodyne	CCKAR	19	45
C[C@@H]1C[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852052288	DG	On-Demand	Anodyne	CCKBR	20	45
C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852052292	DG	On-Demand	Anodyne	CCKAR	19	45
C[C@@H]1C[C@@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852052292	DG	On-Demand	Anodyne	CCKBR	20	45
CS(=O)(=O)N1CCN(CCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852052299	GA	On-Demand	Anodyne	HTR4	17	40
CS(=O)(=O)N1CCN(CCNC(=O)N2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852052300	GA	On-Demand	Anodyne	HTR4	17	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052335	JI	On-Demand	Anodyne	TACR1	21	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052335	JI	On-Demand	Anodyne	CCKAR	44	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052335	JI	On-Demand	Anodyne	CTSL	23	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052335	JI	On-Demand	Anodyne	NMBR	58	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052335	JI	On-Demand	Anodyne	GRPR	54	31
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052335	JI	On-Demand	Anodyne	ECE1	44	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052335	JI	On-Demand	Anodyne	MMP11	68	33
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052336	JI	On-Demand	Anodyne	TACR1	21	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052336	JI	On-Demand	Anodyne	CCKAR	44	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052336	JI	On-Demand	Anodyne	CTSL	23	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052336	JI	On-Demand	Anodyne	NMBR	58	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052336	JI	On-Demand	Anodyne	GRPR	54	31
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052336	JI	On-Demand	Anodyne	ECE1	44	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc(I)c1	ZINC000852052336	JI	On-Demand	Anodyne	MMP11	68	33
C[C@@](CO)(NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(O)c1	ZINC000852052398	EC	On-Demand	Anodyne	KIF11	19	45
C[C@@](CO)(NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(O)c1	ZINC000852052399	EC	On-Demand	Anodyne	KIF11	19	45
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	DRD2	15	43
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	DRD4	20	41
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	ACHE	33	40
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	HRH1	21	40
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	SLC6A3	15	40
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	HTR4	49	40
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	GRIN2B	55	42
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	SIGMAR1	57	43
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	CCR3	42	42
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	CCR5	19	43
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	PREP	54	39
O=C(CCCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852052405	FE	On-Demand	Reactive	CACNA1I	59	38
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)C[C@@](C)(C(F)F)O1	ZINC000852052433	FE	On-Demand	Reactive	GHRHR	40	31
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)C[C@](C)(C(F)F)O1	ZINC000852052434	FE	On-Demand	Reactive	GHRHR	40	31
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CCCc1ccccc1	ZINC000852052439	DF	On-Demand	Reactive	PREP	30	41
C[C@H]1C[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852052447	DG	On-Demand	Anodyne	CCKAR	19	45
C[C@H]1C[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852052447	DG	On-Demand	Anodyne	CCKBR	20	45
O=C(CCCc1ccccc1)NNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852052448	GC	On-Demand	Reactive	FKBP1A	21	40
O=C(CCCc1ccccc1)NNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852052448	GC	On-Demand	Reactive	PREP	59	39
CCOP(=O)(OCC)[C@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052454	GI	On-Demand	Anodyne	HTR1A	27	47
CCOP(=O)(OCC)[C@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052454	GI	On-Demand	Anodyne	HTR1D	40	51
CCOP(=O)(OCC)[C@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052454	GI	On-Demand	Anodyne	HTR1B	38	51
CCOP(=O)(OCC)[C@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052454	GI	On-Demand	Anodyne	SLC6A4	37	51
CCOP(=O)(OCC)[C@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052454	GI	On-Demand	Anodyne	HTR1F	99	47
CCOP(=O)(OCC)[C@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052454	GI	On-Demand	Anodyne	MPO	77	38
CCOP(=O)(OCC)[C@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052454	GI	On-Demand	Anodyne	CCR2	25	44
CCOP(=O)(OCC)[C@@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052455	GI	On-Demand	Anodyne	HTR1A	27	47
CCOP(=O)(OCC)[C@@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052455	GI	On-Demand	Anodyne	HTR1D	40	51
CCOP(=O)(OCC)[C@@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052455	GI	On-Demand	Anodyne	HTR1B	38	51
CCOP(=O)(OCC)[C@@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052455	GI	On-Demand	Anodyne	SLC6A4	37	51
CCOP(=O)(OCC)[C@@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052455	GI	On-Demand	Anodyne	HTR1F	99	47
CCOP(=O)(OCC)[C@@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052455	GI	On-Demand	Anodyne	MPO	77	38
CCOP(=O)(OCC)[C@@H](O)CN1CCC(c2c[nH]c3ccc(F)cc23)CC1	ZINC000852052455	GI	On-Demand	Anodyne	CCR2	25	44
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	DRD2	18	47
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	DRD4	33	47
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	HTR1D	59	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	HTR1B	48	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	SSTR2	100	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	HTR4	19	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	EDNRA	38	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	TACR1	42	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	MC4R	41	39
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	SSTR4	42	33
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	SIGMAR1	29	58
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	SSTR5	39	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	CCKAR	102	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	CCR3	24	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	BRS3	27	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	MC3R	57	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	MC5R	64	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	ECE1	53	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	MMP11	81	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	CCKBR	95	38
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	GHSR	75	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	MC1R	74	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	MCHR1	19	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	KISS1R	51	31
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052467	HG	On-Demand	Anodyne	BIRC2	49	48
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	DRD2	18	47
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	DRD4	33	47
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	HTR1D	59	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	HTR1B	48	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	SSTR2	100	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	HTR4	19	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	EDNRA	38	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	TACR1	42	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	MC4R	41	39
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	SSTR4	42	33
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	SIGMAR1	29	58
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	SSTR5	39	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	CCKAR	102	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	CCR3	24	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	BRS3	27	46
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	MC3R	57	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	MC5R	64	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	ECE1	53	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	MMP11	81	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	CCKBR	95	38
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	GHSR	75	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	MC1R	74	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	MCHR1	19	46
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	KISS1R	51	31
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052468	HG	On-Demand	Anodyne	BIRC2	49	48
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	DRD2	18	47
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	DRD4	33	47
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	HTR1D	59	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	HTR1B	48	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	SSTR2	100	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	HTR4	19	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	EDNRA	38	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	TACR1	42	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	MC4R	41	39
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	SSTR4	42	33
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	SIGMAR1	29	58
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	SSTR5	39	41
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	CCKAR	102	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	CCR3	24	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	BRS3	27	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	MC3R	57	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	MC5R	64	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	ECE1	53	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	MMP11	81	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	CCKBR	95	38
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	GHSR	75	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	MC1R	74	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	MCHR1	19	46
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	KISS1R	51	31
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852052469	HG	On-Demand	Anodyne	BIRC2	49	48
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	DRD2	18	47
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	DRD4	33	47
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	HTR1D	59	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	HTR1B	48	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	SSTR2	100	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	HTR4	19	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	EDNRA	38	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	TACR1	42	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	MC4R	41	39
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	SSTR4	42	33
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	SIGMAR1	29	58
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	SSTR5	39	41
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	CCKAR	102	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	CCR3	24	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	BRS3	27	46
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	MC3R	57	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	MC5R	64	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	ECE1	53	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	MMP11	81	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	CCKBR	95	38
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	GHSR	75	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	MC1R	74	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	MCHR1	19	46
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	KISS1R	51	31
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852052470	HG	On-Demand	Anodyne	BIRC2	49	48
O=C(CCCc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852052471	GF	On-Demand	Reactive	SCN2A	18	43
O=C(CCCc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852052471	GF	On-Demand	Reactive	PREP	48	40
O=C(CCCc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852052471	GF	On-Demand	Reactive	SCN10A	19	43
O=C(CCCc1ccccc1)NNC(=O)NCC1SCCS1	ZINC000852052483	EE	On-Demand	Reactive	CES1	44	34
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052492	FG	On-Demand	Reactive	PLM1_PLAFA	26	48
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052492	FG	On-Demand	Reactive	PLM2_PLAFA	37	48
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052492	FG	On-Demand	Reactive	NAAA	33	40
O=C(CCCc1ccccc1)NNC(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852052497	GD	On-Demand	Reactive	FKBP1A	38	41
O=C(CCCc1ccccc1)NNC(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852052497	GD	On-Demand	Reactive	PREP	58	41
O=C(CCCc1ccccc1)NNC(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852052498	GD	On-Demand	Reactive	FKBP1A	38	41
O=C(CCCc1ccccc1)NNC(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852052498	GD	On-Demand	Reactive	PREP	58	41
O=C(CCCc1ccccc1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852052516	FF	On-Demand	Reactive	PREP	52	38
O=C(CCCc1ccccc1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852052516	FF	On-Demand	Reactive	FAAH	41	36
O=C(CCCc1ccccc1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852052516	FF	On-Demand	Reactive	CES1	42	36
O=C(CCCc1ccccc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852052527	DC	On-Demand	Reactive	NAAA	41	41
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852052528	DC	On-Demand	Reactive	NAAA	41	41
N#Cc1ccc(CCNC(=O)NNC(=O)CCCc2ccccc2)cc1	ZINC000852052535	FE	On-Demand	Reactive	FAAH	41	38
N#Cc1ccc(CCNC(=O)NNC(=O)CCCc2ccccc2)cc1	ZINC000852052535	FE	On-Demand	Reactive	CES1	53	38
N#Cc1ccc(CCNC(=O)NNC(=O)CCCc2ccccc2)cc1	ZINC000852052535	FE	On-Demand	Reactive	FFAR1	30	44
O=C(CCCc1ccccc1)NNC(=O)NCCc1ccoc1	ZINC000852052536	DE	On-Demand	Reactive	CES1	41	34
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852052561	GF	On-Demand	Reactive	DRD2	15	45
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852052561	GF	On-Demand	Reactive	SIGMAR1	36	42
O=C(CCCc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852052561	GF	On-Demand	Reactive	PREP	53	39
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852052562	GF	On-Demand	Reactive	DRD2	15	45
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852052562	GF	On-Demand	Reactive	SIGMAR1	36	42
O=C(CCCc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852052562	GF	On-Demand	Reactive	PREP	53	39
O=C(CCCc1ccccc1)NNC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852052563	FG	On-Demand	Reactive	SIGMAR1	16	42
O=C(CCCc1ccccc1)NNC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852052563	FG	On-Demand	Reactive	EPHX2	18	54
CO[C@@H](C)CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852052574	DD	On-Demand	Reactive	TYK2	31	41
C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852052579	GI	On-Demand	Anodyne	ACE	26	42
C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852052579	GI	On-Demand	Anodyne	CCKAR	42	37
C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852052579	GI	On-Demand	Anodyne	CCKBR	50	37
C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852052579	GI	On-Demand	Anodyne	TPP2	53	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852052580	GI	On-Demand	Anodyne	ACE	26	42
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852052580	GI	On-Demand	Anodyne	CCKAR	42	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852052580	GI	On-Demand	Anodyne	CCKBR	50	37
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852052580	GI	On-Demand	Anodyne	TPP2	53	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@@H]1C	ZINC000852052581	GI	On-Demand	Anodyne	ACE	26	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@@H]1C	ZINC000852052581	GI	On-Demand	Anodyne	CCKAR	42	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@@H]1C	ZINC000852052581	GI	On-Demand	Anodyne	CCKBR	50	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@@H]1C	ZINC000852052581	GI	On-Demand	Anodyne	TPP2	53	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852052582	GI	On-Demand	Anodyne	ACE	26	42
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852052582	GI	On-Demand	Anodyne	CCKAR	42	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852052582	GI	On-Demand	Anodyne	CCKBR	50	37
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852052582	GI	On-Demand	Anodyne	TPP2	53	36
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852052603	FF	On-Demand	Reactive	CACNA1I	57	37
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852052604	FF	On-Demand	Reactive	CACNA1I	57	37
O=C(CCCc1ccccc1)NNC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852052611	GE	On-Demand	Reactive	FAAH	52	42
O=C(CCCc1ccccc1)NNC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852052611	GE	On-Demand	Reactive	CES1	51	41
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCCC3CCC3)CC2)C1	ZINC000852052613	FG	On-Demand	Anodyne	GPR119	32	40
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCCC3CCC3)CC2)C1	ZINC000852052615	FG	On-Demand	Anodyne	GPR119	32	40
O=C(CCCc1ccccc1)NNC(=O)NCCCc1ccco1	ZINC000852052681	EF	On-Demand	Reactive	MTNR1A	20	41
O=C(CCCc1ccccc1)NNC(=O)NCCCc1ccco1	ZINC000852052681	EF	On-Demand	Reactive	MTNR1B	22	41
O=C(CCCc1ccccc1)NNC(=O)NCCCc1ccco1	ZINC000852052681	EF	On-Demand	Reactive	CRTM	33	40
C=CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052685	EG	On-Demand	Reactive	F2	17	40
C=CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052685	EG	On-Demand	Reactive	SIGMAR1	24	40
C=CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052685	EG	On-Demand	Reactive	PREP	81	46
C=CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052685	EG	On-Demand	Reactive	FAAH	15	41
C=CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052685	EG	On-Demand	Reactive	TGM2	40	35
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052687	EG	On-Demand	Reactive	F2	17	40
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052687	EG	On-Demand	Reactive	SIGMAR1	24	40
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052687	EG	On-Demand	Reactive	PREP	81	46
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052687	EG	On-Demand	Reactive	FAAH	15	41
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852052687	EG	On-Demand	Reactive	TGM2	40	35
O[C@@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052688	EH	On-Demand	Anodyne	HTR1A	26	51
O[C@@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052688	EH	On-Demand	Anodyne	HTR1D	39	46
O[C@@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052688	EH	On-Demand	Anodyne	HTR1B	38	46
O[C@@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052688	EH	On-Demand	Anodyne	SLC6A4	35	51
O[C@@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052688	EH	On-Demand	Anodyne	HTR1F	47	41
O[C@@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052688	EH	On-Demand	Anodyne	MPO	53	36
O[C@@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052688	EH	On-Demand	Anodyne	CCR2	26	42
O[C@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052690	EH	On-Demand	Anodyne	HTR1A	26	51
O[C@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052690	EH	On-Demand	Anodyne	HTR1D	39	46
O[C@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052690	EH	On-Demand	Anodyne	HTR1B	38	46
O[C@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052690	EH	On-Demand	Anodyne	SLC6A4	35	51
O[C@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052690	EH	On-Demand	Anodyne	HTR1F	47	41
O[C@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052690	EH	On-Demand	Anodyne	MPO	53	36
O[C@H](CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)c1ccccn1	ZINC000852052690	EH	On-Demand	Anodyne	CCR2	26	42
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852052692	GC	On-Demand	Reactive	FKBP1A	42	39
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852052692	GC	On-Demand	Reactive	MMP13	15	40
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852052692	GC	On-Demand	Reactive	PREP	60	42
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852052692	GC	On-Demand	Reactive	MMP3	26	41
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852052692	GC	On-Demand	Reactive	MMP9	15	41
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852052692	GC	On-Demand	Reactive	MMP7	17	41
C[C@@H]1CN(C(=O)NNC(=O)CCCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852052692	GC	On-Demand	Reactive	MMP1	17	41
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852052695	EF	On-Demand	Reactive	MME	41	36
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852052697	ED	On-Demand	Reactive	SIGMAR1	28	43
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852052697	ED	On-Demand	Reactive	PREP	56	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852052698	ED	On-Demand	Reactive	SIGMAR1	28	43
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852052698	ED	On-Demand	Reactive	PREP	56	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852052699	ED	On-Demand	Reactive	SIGMAR1	28	43
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852052699	ED	On-Demand	Reactive	PREP	56	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852052700	ED	On-Demand	Reactive	SIGMAR1	28	43
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852052700	ED	On-Demand	Reactive	PREP	56	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852052701	FD	On-Demand	Reactive	PREP	45	39
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852052702	FD	On-Demand	Reactive	PREP	45	39
Fc1ccc2[nH]cc(C3CCN(CCn4cnc(Br)n4)CC3)c2c1	ZINC000852052708	GH	On-Demand	Anodyne	HTR1A	25	53
Fc1ccc2[nH]cc(C3CCN(CCn4cnc(Br)n4)CC3)c2c1	ZINC000852052708	GH	On-Demand	Anodyne	DRD2	17	53
Fc1ccc2[nH]cc(C3CCN(CCn4cnc(Br)n4)CC3)c2c1	ZINC000852052708	GH	On-Demand	Anodyne	HTR1D	81	53
Fc1ccc2[nH]cc(C3CCN(CCn4cnc(Br)n4)CC3)c2c1	ZINC000852052708	GH	On-Demand	Anodyne	HTR1B	83	50
Fc1ccc2[nH]cc(C3CCN(CCn4cnc(Br)n4)CC3)c2c1	ZINC000852052708	GH	On-Demand	Anodyne	SLC6A4	31	53
Fc1ccc2[nH]cc(C3CCN(CCn4cnc(Br)n4)CC3)c2c1	ZINC000852052708	GH	On-Demand	Anodyne	ADRA1B	16	52
Fc1ccc2[nH]cc(C3CCN(CCn4cnc(Br)n4)CC3)c2c1	ZINC000852052708	GH	On-Demand	Anodyne	HTR1F	58	43
Fc1ccc2[nH]cc(C3CCN(CCn4cnc(Br)n4)CC3)c2c1	ZINC000852052708	GH	On-Demand	Anodyne	MPO	82	45
Fc1ccc2[nH]cc(C3CCN(Cc4cnon4)CC3)c2c1	ZINC000852052713	DG	On-Demand	Anodyne	HTR1A	16	47
Fc1ccc2[nH]cc(C3CCN(Cc4cnon4)CC3)c2c1	ZINC000852052713	DG	On-Demand	Anodyne	DRD2	15	49
Fc1ccc2[nH]cc(C3CCN(Cc4cnon4)CC3)c2c1	ZINC000852052713	DG	On-Demand	Anodyne	HTR1D	25	47
Fc1ccc2[nH]cc(C3CCN(Cc4cnon4)CC3)c2c1	ZINC000852052713	DG	On-Demand	Anodyne	HTR1B	25	47
Fc1ccc2[nH]cc(C3CCN(Cc4cnon4)CC3)c2c1	ZINC000852052713	DG	On-Demand	Anodyne	HTR2A	15	46
Fc1ccc2[nH]cc(C3CCN(Cc4cnon4)CC3)c2c1	ZINC000852052713	DG	On-Demand	Anodyne	SLC6A4	26	49
Fc1ccc2[nH]cc(C3CCN(Cc4cnon4)CC3)c2c1	ZINC000852052713	DG	On-Demand	Anodyne	HTR1F	41	41
Fc1ccc2[nH]cc(C3CCN(Cc4cnon4)CC3)c2c1	ZINC000852052713	DG	On-Demand	Anodyne	MPO	71	42
CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccn2)[C@H](C(F)F)C1	ZINC000852052714	FE	On-Demand	Anodyne	GPR119	36	43
CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccn2)[C@@H](C(F)F)C1	ZINC000852052715	FE	On-Demand	Anodyne	GPR119	36	43
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccn2)[C@H](C(F)F)C1	ZINC000852052716	FE	On-Demand	Anodyne	GPR119	36	43
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccn2)[C@@H](C(F)F)C1	ZINC000852052717	FE	On-Demand	Anodyne	GPR119	36	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	MME	74	37
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CMA1	16	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CTSB	41	31
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	PAPA1_CARPA	73	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CYSP_TRYCR	46	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CTSG	26	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CTSK	28	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CTRB1	38	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CAPNS1	56	32
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	MMP3	54	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CELA2A	24	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	FAAH	55	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CAPN1	63	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CASP1	19	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CES1	54	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CAPN2	64	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	ACE2	45	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	FPR1	57	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CTRB_BOVIN	54	32
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	NPR	44	33
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	PSMB5	45	36
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052743	DG	On-Demand	Reactive	CES1D	56	32
CC[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052805	DF	On-Demand	Reactive	MME	34	40
CC[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052805	DF	On-Demand	Reactive	PAPA1_CARPA	40	36
CC[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052805	DF	On-Demand	Reactive	BRS3	20	40
CC[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052805	DF	On-Demand	Reactive	MMP2	22	43
CC[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052805	DF	On-Demand	Reactive	MMP3	38	43
CC[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052805	DF	On-Demand	Reactive	CASP1	16	40
CC[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052805	DF	On-Demand	Reactive	CAPN2	52	38
CC[C@@H](C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852052805	DF	On-Demand	Reactive	AMP1_PLAFQ	27	41
C[C@H]1C[C@H]1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852052808	CD	On-Demand	Anodyne	EPHX2	20	47
C[C@@H]1C[C@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852052833	FF	On-Demand	Anodyne	EPHX2	29	48
C[C@@H]1C[C@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852052833	FF	On-Demand	Anodyne	RBP4	59	34
C[C@@H]1C[C@@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852052836	FF	On-Demand	Anodyne	EPHX2	29	48
C[C@@H]1C[C@@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852052836	FF	On-Demand	Anodyne	RBP4	59	34
C[C@H]1C[C@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852052838	FF	On-Demand	Anodyne	EPHX2	29	48
C[C@H]1C[C@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852052838	FF	On-Demand	Anodyne	RBP4	59	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	EDNRB	46	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	TACR1	28	49
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	CCKAR	71	44
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	BRS3	29	54
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	NMBR	26	44
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	MC3R	40	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	MMP2	15	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	GRPR	53	31
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	ECE1	44	35
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	CCKBR	57	40
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	GHSR	41	34
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	MMP9	15	45
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	MC1R	48	36
C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052872	HG	On-Demand	Anodyne	KISS1R	60	32
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	EDNRB	46	34
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	TACR1	28	49
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	CCKAR	71	44
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	BRS3	29	54
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	NMBR	26	44
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	MC3R	40	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	MMP2	15	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	GRPR	53	31
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	ECE1	44	35
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	CCKBR	57	40
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	GHSR	41	34
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	MMP9	15	45
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	MC1R	48	36
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852052873	HG	On-Demand	Anodyne	KISS1R	60	32
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852052874	FD	On-Demand	Reactive	HDAC8	15	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852052874	FD	On-Demand	Reactive	HDAC10	27	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852052874	FD	On-Demand	Reactive	PREP	49	42
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852052874	FD	On-Demand	Reactive	HDAC2	16	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852052874	FD	On-Demand	Reactive	HDAC6	20	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852052874	FD	On-Demand	Reactive	HDAC11	38	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852052875	FD	On-Demand	Reactive	HDAC8	15	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852052875	FD	On-Demand	Reactive	HDAC10	27	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852052875	FD	On-Demand	Reactive	PREP	49	42
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852052875	FD	On-Demand	Reactive	HDAC2	16	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852052875	FD	On-Demand	Reactive	HDAC6	20	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852052875	FD	On-Demand	Reactive	HDAC11	38	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852052876	FD	On-Demand	Reactive	HDAC8	15	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852052876	FD	On-Demand	Reactive	HDAC10	27	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852052876	FD	On-Demand	Reactive	PREP	49	42
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852052876	FD	On-Demand	Reactive	HDAC2	16	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852052876	FD	On-Demand	Reactive	HDAC6	20	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852052876	FD	On-Demand	Reactive	HDAC11	38	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852052877	FD	On-Demand	Reactive	HDAC8	15	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852052877	FD	On-Demand	Reactive	HDAC10	27	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852052877	FD	On-Demand	Reactive	PREP	49	42
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852052877	FD	On-Demand	Reactive	HDAC2	16	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852052877	FD	On-Demand	Reactive	HDAC6	20	41
O=C(CCCc1ccccc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852052877	FD	On-Demand	Reactive	HDAC11	38	41
O=C(CCCc1ccccc1)NNC(=O)NCc1cccc(OC2CC2)c1F	ZINC000852052932	GG	On-Demand	Reactive	EPHX2	15	41
O=C1CC[C@@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052939	DG	On-Demand	Anodyne	HTR1A	24	51
O=C1CC[C@@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052939	DG	On-Demand	Anodyne	DRD2	17	51
O=C1CC[C@@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052939	DG	On-Demand	Anodyne	HTR1D	24	49
O=C1CC[C@@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052939	DG	On-Demand	Anodyne	HTR1B	29	48
O=C1CC[C@@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052939	DG	On-Demand	Anodyne	SLC6A4	34	49
O=C1CC[C@@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052939	DG	On-Demand	Anodyne	HTR1F	43	43
O=C1CC[C@@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052939	DG	On-Demand	Anodyne	MPO	75	40
O=C1CC[C@@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052939	DG	On-Demand	Anodyne	CCR2	17	41
O=C1CC[C@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052940	DG	On-Demand	Anodyne	HTR1A	24	51
O=C1CC[C@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052940	DG	On-Demand	Anodyne	DRD2	17	51
O=C1CC[C@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052940	DG	On-Demand	Anodyne	HTR1D	24	49
O=C1CC[C@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052940	DG	On-Demand	Anodyne	HTR1B	29	48
O=C1CC[C@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052940	DG	On-Demand	Anodyne	SLC6A4	34	49
O=C1CC[C@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052940	DG	On-Demand	Anodyne	HTR1F	43	43
O=C1CC[C@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052940	DG	On-Demand	Anodyne	MPO	75	40
O=C1CC[C@H](CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1	ZINC000852052940	DG	On-Demand	Anodyne	CCR2	17	41
COc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)nc2)c(C)c1OC	ZINC000852052941	FG	On-Demand	Anodyne	ENPP1	56	34
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)[C@@H](C(F)F)C1	ZINC000852052978	FD	On-Demand	Anodyne	GPR119	30	43
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)[C@H](C(F)F)C1	ZINC000852052979	FD	On-Demand	Anodyne	GPR119	30	43
O=C(CCCc1ccccc1)NNC(=O)N1CCC(c2ccco2)CC1	ZINC000852052996	FG	On-Demand	Reactive	SIGMAR1	19	40
O=C(CCCc1ccccc1)NNC(=O)N1CCC(c2ccco2)CC1	ZINC000852052996	FG	On-Demand	Reactive	PREP	45	40
C[C@H]1C[C@H]1NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852053024	GF	On-Demand	Anodyne	CCR5	44	34
C[C@H]1C[C@H]1NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852053024	GF	On-Demand	Anodyne	EPHX2	19	40
C[C@@H]1C[C@H]1NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852053025	GF	On-Demand	Anodyne	CCR5	44	34
C[C@@H]1C[C@H]1NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852053025	GF	On-Demand	Anodyne	EPHX2	19	40
C[C@@H]1C[C@@H]1NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852053027	GF	On-Demand	Anodyne	CCR5	44	34
C[C@@H]1C[C@@H]1NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852053027	GF	On-Demand	Anodyne	EPHX2	19	40
O=C(CN1CCCn2c(cc3ccccc32)C1)Nc1ccc(Cl)nc1	ZINC000852053043	FH	On-Demand	Anodyne	IMDH_CRYPV	40	37
C[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852053060	FG	On-Demand	Anodyne	GPR119	32	46
C[C@@H]1C[C@H]1NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852053061	FG	On-Demand	Anodyne	GPR119	32	46
C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852053062	FG	On-Demand	Anodyne	GPR119	32	46
C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852053063	FG	On-Demand	Anodyne	GPR119	32	46
CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)n2)[C@@H](C(F)F)C1	ZINC000852053067	EF	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)n2)[C@H](C(F)F)C1	ZINC000852053068	EF	On-Demand	Anodyne	GPR119	32	41
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053069	EE	On-Demand	Reactive	SIGMAR1	21	40
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053069	EE	On-Demand	Reactive	PREP	78	45
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053069	EE	On-Demand	Reactive	CTSS	21	42
N#CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053070	EE	On-Demand	Reactive	SIGMAR1	21	40
N#CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053070	EE	On-Demand	Reactive	PREP	78	45
N#CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053070	EE	On-Demand	Reactive	CTSS	21	42
O=C(CCCc1ccccc1)NNC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852053076	FD	On-Demand	Reactive	SIGMAR1	20	42
O=C(CCCc1ccccc1)NNC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852053076	FD	On-Demand	Reactive	PREP	48	38
O=C(CCCc1ccccc1)NNC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852053077	FD	On-Demand	Reactive	SIGMAR1	20	42
O=C(CCCc1ccccc1)NNC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852053077	FD	On-Demand	Reactive	PREP	48	38
COC(=O)N(C)CCNC(=O)NNC(=O)CCCc1ccccc1	ZINC000852053086	ED	On-Demand	Reactive	FAAH	24	41
O=C(CCCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852053112	DF	On-Demand	Reactive	FKBP1A	22	41
O=C(CCCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852053112	DF	On-Demand	Reactive	CCR5	15	40
O=C(CCCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852053112	DF	On-Demand	Reactive	PREP	40	38
O=C(CCCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852053112	DF	On-Demand	Reactive	MMP2	48	40
O=C(CCCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852053112	DF	On-Demand	Reactive	MMP3	18	40
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852053127	EF	On-Demand	Reactive	FKBP1A	35	40
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852053127	EF	On-Demand	Reactive	SIGMAR1	27	41
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852053127	EF	On-Demand	Reactive	PREP	87	47
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852053128	EF	On-Demand	Reactive	FKBP1A	35	40
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852053128	EF	On-Demand	Reactive	SIGMAR1	27	41
O=C(CCCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852053128	EF	On-Demand	Reactive	PREP	87	47
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852053129	EF	On-Demand	Reactive	MME	41	36
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053138	FE	On-Demand	Reactive	FKBP1A	28	42
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053140	FE	On-Demand	Reactive	FKBP1A	28	42
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053146	GG	On-Demand	Reactive	P2RX7	20	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053169	EF	On-Demand	Reactive	SIGMAR1	20	42
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053169	EF	On-Demand	Reactive	PREP	41	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053173	EG	On-Demand	Reactive	SLC6A3	19	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053173	EG	On-Demand	Reactive	SIGMAR1	28	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053173	EG	On-Demand	Reactive	PREP	49	46
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053173	EG	On-Demand	Reactive	NAAA	33	40
Cn1cnc(CN2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1	ZINC000852053174	ED	On-Demand	Anodyne	GPR119	43	42
Cn1cnc(CN2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1	ZINC000852053175	ED	On-Demand	Anodyne	GPR119	43	42
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	ZINC000852053182	EF	On-Demand	Reactive	EPHX2	22	46
O=C(NNC(=O)c1c(Cl)cccc1Cl)NC1CCC2(CC1)CC2(F)F	ZINC000852053202	GH	On-Demand	Reactive	PPIA	25	40
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H](CO)C1CCC1	ZINC000852053208	EE	On-Demand	Reactive	TYK2	40	37
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@@H](CO)C1CCC1	ZINC000852053209	EE	On-Demand	Reactive	TYK2	40	37
NC(=O)[C@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053221	CD	On-Demand	Anodyne	CHRM2	28	42
NC(=O)[C@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053221	CD	On-Demand	Anodyne	SLC6A1	92	35
NC(=O)[C@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053221	CD	On-Demand	Anodyne	CHRM3	47	42
NC(=O)[C@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053221	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053221	CD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053222	CD	On-Demand	Anodyne	CHRM2	28	42
NC(=O)[C@@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053222	CD	On-Demand	Anodyne	SLC6A1	92	35
NC(=O)[C@@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053222	CD	On-Demand	Anodyne	CHRM3	47	42
NC(=O)[C@@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053222	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@@](O)(CN1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000852053222	CD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053223	CD	On-Demand	Anodyne	CHRM2	28	42
NC(=O)[C@@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053223	CD	On-Demand	Anodyne	SLC6A1	92	35
NC(=O)[C@@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053223	CD	On-Demand	Anodyne	CHRM3	47	42
NC(=O)[C@@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053223	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053223	CD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053224	CD	On-Demand	Anodyne	CHRM2	28	42
NC(=O)[C@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053224	CD	On-Demand	Anodyne	SLC6A1	92	35
NC(=O)[C@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053224	CD	On-Demand	Anodyne	CHRM3	47	42
NC(=O)[C@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053224	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@](O)(CN1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000852053224	CD	On-Demand	Anodyne	CYP2J2	45	32
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	ZINC000852053231	FF	On-Demand	Reactive	PREP	29	42
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2c(Cl)cccc2Cl)C1	ZINC000852053232	FF	On-Demand	Reactive	PREP	29	42
O=C(CCCc1ccccc1)NNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852053235	FD	On-Demand	Reactive	PREP	44	40
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852053245	FD	On-Demand	Anodyne	SLC18A3	40	41
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852053245	FD	On-Demand	Anodyne	GPR119	45	43
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852053245	FD	On-Demand	Anodyne	L3MBTL3	59	40
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053246	II	On-Demand	Anodyne	TACR1	20	41
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053246	II	On-Demand	Anodyne	CCKAR	49	41
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053246	II	On-Demand	Anodyne	BRS3	25	40
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053246	II	On-Demand	Anodyne	NMBR	40	41
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053246	II	On-Demand	Anodyne	GRPR	47	31
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053246	II	On-Demand	Anodyne	ECE1	42	37
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053246	II	On-Demand	Anodyne	MMP11	79	34
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053246	II	On-Demand	Anodyne	GHSR	56	37
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053247	II	On-Demand	Anodyne	TACR1	20	41
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053247	II	On-Demand	Anodyne	CCKAR	49	41
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053247	II	On-Demand	Anodyne	BRS3	25	40
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053247	II	On-Demand	Anodyne	NMBR	40	41
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053247	II	On-Demand	Anodyne	GRPR	47	31
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053247	II	On-Demand	Anodyne	ECE1	42	37
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053247	II	On-Demand	Anodyne	MMP11	79	34
Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)OC(=O)CCc1c[nH]c2ccccc12	ZINC000852053247	II	On-Demand	Anodyne	GHSR	56	37
NC(=O)[C@@](O)(CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1ccccc1	ZINC000852053268	GC	On-Demand	Anodyne	CHRM2	15	43
NC(=O)[C@@](O)(CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1ccccc1	ZINC000852053268	GC	On-Demand	Anodyne	CHRM3	25	43
NC(=O)[C@](O)(CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1ccccc1	ZINC000852053269	GC	On-Demand	Anodyne	CHRM2	15	43
NC(=O)[C@](O)(CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1ccccc1	ZINC000852053269	GC	On-Demand	Anodyne	CHRM3	25	43
NC(=O)[C@](O)(CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1ccccc1	ZINC000852053270	GC	On-Demand	Anodyne	CHRM2	15	43
NC(=O)[C@](O)(CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)c1ccccc1	ZINC000852053270	GC	On-Demand	Anodyne	CHRM3	25	43
NC(=O)[C@@](O)(CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1ccccc1	ZINC000852053271	GC	On-Demand	Anodyne	CHRM2	15	43
NC(=O)[C@@](O)(CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1)c1ccccc1	ZINC000852053271	GC	On-Demand	Anodyne	CHRM3	25	43
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NNC(=O)CCCc2ccccc2)O1	ZINC000852053282	GC	On-Demand	Reactive	CYSLTR2	43	32
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NNC(=O)CCCc2ccccc2)O1	ZINC000852053283	GC	On-Demand	Reactive	CYSLTR2	43	32
O=C(CCCc1ccccc1)NNC(=O)NCc1ncccn1	ZINC000852053285	DD	On-Demand	Reactive	FAAH	75	42
O=C(CCCc1ccccc1)NNC(=O)NCc1ncccn1	ZINC000852053285	DD	On-Demand	Reactive	CES1	72	38
O=C(CCCc1ccccc1)NNC(=O)NCc1ncccn1	ZINC000852053285	DD	On-Demand	Reactive	SUCNR1	31	40
O=C(CCCc1ccccc1)NNC(=O)NCc1ncccn1	ZINC000852053285	DD	On-Demand	Reactive	CES1D	44	32
O=C(CCCc1ccccc1)NNC(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852053306	FE	On-Demand	Reactive	FAAH	15	41
O=C(CCCc1ccccc1)NNC(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852053306	FE	On-Demand	Reactive	CES1	22	41
O=C(CCCc1ccccc1)NNC(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852053307	FE	On-Demand	Reactive	FAAH	15	41
O=C(CCCc1ccccc1)NNC(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852053307	FE	On-Demand	Reactive	CES1	22	41
O=C(CCCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852053313	ED	On-Demand	Reactive	FAAH	44	35
O=C(CCCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852053313	ED	On-Demand	Reactive	CES1	54	34
CN(CC1=CCSC1)C(=O)NNC(=O)CCCc1ccccc1	ZINC000852053321	EE	On-Demand	Reactive	PREP	22	41
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCNC1=O	ZINC000852053322	EC	On-Demand	Reactive	TYK2	45	38
O=C(NNC(=O)c1c(Cl)cccc1Cl)N[C@H]1CCNC1=O	ZINC000852053323	EC	On-Demand	Reactive	TYK2	45	38
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852053324	FG	On-Demand	Anodyne	CALCRL	41	35
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852053325	FG	On-Demand	Anodyne	CALCRL	41	35
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053329	ED	On-Demand	Reactive	FKBP1A	44	36
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053329	ED	On-Demand	Reactive	PREP	42	38
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053329	ED	On-Demand	Reactive	FAAH	54	39
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CCCc2ccccc2)C1	ZINC000852053329	ED	On-Demand	Reactive	CES1	57	37
O=C(CCCc1ccccc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852053335	FG	On-Demand	Reactive	PREP	60	42
O=C(CCCc1ccccc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852053336	FG	On-Demand	Reactive	PREP	60	42
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1c(Cl)cccc1Cl	ZINC000852053340	FG	On-Demand	Reactive	PREP	23	43
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1c(Cl)cccc1Cl	ZINC000852053341	FG	On-Demand	Reactive	PREP	23	43
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C[C@H](O)c3ccccn3)CC2)C1	ZINC000852053352	GD	On-Demand	Anodyne	GPR119	47	47
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C[C@@H](O)c3ccccn3)CC2)C1	ZINC000852053353	GD	On-Demand	Anodyne	GPR119	47	47
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C[C@@H](O)c3ccccn3)CC2)C1	ZINC000852053354	GD	On-Demand	Anodyne	GPR119	47	47
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C[C@H](O)c3ccccn3)CC2)C1	ZINC000852053355	GD	On-Demand	Anodyne	GPR119	47	47
O=C(CCCc1ccccc1)NNC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852053357	FF	On-Demand	Reactive	PREP	39	40
O=C(CCCc1ccccc1)NNC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852053358	FF	On-Demand	Reactive	PREP	39	40
O=C(CCCc1ccccc1)NNC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852053359	FF	On-Demand	Reactive	PREP	39	40
O=C(NNC(=O)N1CCN([C@@H]2CCOC2)CC1)c1c(Cl)cccc1Cl	ZINC000852053360	GD	On-Demand	Reactive	L3MBTL3	59	36
O=C(NNC(=O)N1CCN([C@H]2CCOC2)CC1)c1c(Cl)cccc1Cl	ZINC000852053361	GD	On-Demand	Reactive	L3MBTL3	59	36
CCSC1(CNC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1	ZINC000852053363	FG	On-Demand	Reactive	SLC6A9	17	41
C[C@@]1(CNC(=O)NNC(=O)c2c(Cl)cccc2Cl)CC1(F)F	ZINC000852053390	FF	On-Demand	Reactive	P2RX7	18	47
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053399	GG	On-Demand	Reactive	DRD2	21	50
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053399	GG	On-Demand	Reactive	HRH1	17	43
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053399	GG	On-Demand	Reactive	HTR4	74	46
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053399	GG	On-Demand	Reactive	SIGMAR1	22	43
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053399	GG	On-Demand	Reactive	CCR3	40	39
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053399	GG	On-Demand	Reactive	CACNA1I	84	44
O=C(NNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1c(Cl)cccc1Cl	ZINC000852053407	GD	On-Demand	Reactive	L3MBTL3	65	36
O=C(NNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1c(Cl)cccc1Cl	ZINC000852053408	GD	On-Demand	Reactive	L3MBTL3	65	36
O=C(CCCc1ccccc1)NNC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852053411	FF	On-Demand	Reactive	SIGMAR1	23	40
O=C(CCCc1ccccc1)NNC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852053411	FF	On-Demand	Reactive	PREP	41	38
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCc3ccc(C#N)cc3)CC2)C1	ZINC000852053463	GF	On-Demand	Mild	GPR119	36	48
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCc3ccc(C#N)cc3)CC2)C1	ZINC000852053463	GF	On-Demand	Mild	KCNJ1	46	49
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCc3ccc(C#N)cc3)CC2)C1	ZINC000852053464	GF	On-Demand	Mild	GPR119	36	48
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCc3ccc(C#N)cc3)CC2)C1	ZINC000852053464	GF	On-Demand	Mild	KCNJ1	46	49
CC[C@@H](NC(=O)NNC(=O)c1c(Cl)cccc1Cl)C1CC1	ZINC000852053474	EG	On-Demand	Reactive	TYK2	51	40
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CC[C@@H]3CCc4ccccc43)CC2)C1	ZINC000852053511	GH	On-Demand	Anodyne	SIGMAR1	16	46
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CC[C@@H]3CCc4ccccc43)CC2)C1	ZINC000852053511	GH	On-Demand	Anodyne	EBP	21	40
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CC[C@H]3CCc4ccccc43)CC2)C1	ZINC000852053512	GH	On-Demand	Anodyne	SIGMAR1	16	46
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CC[C@H]3CCc4ccccc43)CC2)C1	ZINC000852053512	GH	On-Demand	Anodyne	EBP	21	40
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CC[C@H]3CCc4ccccc43)CC2)C1	ZINC000852053513	GH	On-Demand	Anodyne	SIGMAR1	16	46
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CC[C@H]3CCc4ccccc43)CC2)C1	ZINC000852053513	GH	On-Demand	Anodyne	EBP	21	40
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CC[C@@H]3CCc4ccccc43)CC2)C1	ZINC000852053514	GH	On-Demand	Anodyne	SIGMAR1	16	46
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CC[C@@H]3CCc4ccccc43)CC2)C1	ZINC000852053514	GH	On-Demand	Anodyne	EBP	21	40
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852053520	FE	On-Demand	Anodyne	CHRM2	15	41
CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852053520	FE	On-Demand	Anodyne	GPR119	36	44
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852053521	FE	On-Demand	Anodyne	CHRM2	15	41
CC(C)(C)OC(=O)N1CC[C@H](N2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852053521	FE	On-Demand	Anodyne	GPR119	36	44
CC[C@@H](C)CCNC(=O)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053526	EG	On-Demand	Reactive	TYK2	20	40
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053542	GG	On-Demand	Reactive	DRD2	19	45
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053542	GG	On-Demand	Reactive	CCR3	45	39
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1c(Cl)cccc1Cl	ZINC000852053542	GG	On-Demand	Reactive	CACNA1I	49	35
CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852053566	EF	On-Demand	Anodyne	MME	45	38
CCC[C@H](Cc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852053567	EF	On-Demand	Anodyne	MME	45	38
NC(=O)[C@](O)(CN1CCN(c2nccc3sccc23)CC1)c1ccccc1	ZINC000852053600	GD	On-Demand	Anodyne	HTR1A	23	56
NC(=O)[C@](O)(CN1CCN(c2nccc3sccc23)CC1)c1ccccc1	ZINC000852053600	GD	On-Demand	Anodyne	DRD2	20	47
NC(=O)[C@@](O)(CN1CCN(c2nccc3sccc23)CC1)c1ccccc1	ZINC000852053601	GD	On-Demand	Anodyne	HTR1A	23	56
NC(=O)[C@@](O)(CN1CCN(c2nccc3sccc23)CC1)c1ccccc1	ZINC000852053601	GD	On-Demand	Anodyne	DRD2	20	47
CCC[C@@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852053602	DH	On-Demand	Anodyne	MME	82	40
CCC[C@@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852053602	DH	On-Demand	Anodyne	CAPNS1	43	34
CCC[C@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852053603	DH	On-Demand	Anodyne	MME	82	40
CCC[C@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852053603	DH	On-Demand	Anodyne	CAPNS1	43	34
CCC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053639	GF	On-Demand	Anodyne	MME	59	39
CCC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053639	GF	On-Demand	Anodyne	CAPN1	36	41
CCC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053639	GF	On-Demand	Anodyne	CAPN2	42	36
CCC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053639	GF	On-Demand	Anodyne	FPR1	21	41
CCC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053639	GF	On-Demand	Anodyne	CTRB_BOVIN	43	30
CCC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053640	GF	On-Demand	Anodyne	MME	59	39
CCC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053640	GF	On-Demand	Anodyne	CAPN1	36	41
CCC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053640	GF	On-Demand	Anodyne	CAPN2	42	36
CCC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053640	GF	On-Demand	Anodyne	FPR1	21	41
CCC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852053640	GF	On-Demand	Anodyne	CTRB_BOVIN	43	30
CCCN(CCN1CCCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053654	ED	On-Demand	Anodyne	CHRM2	18	46
CCCN(CCN1CCCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053654	ED	On-Demand	Anodyne	CHRM1	21	46
CCCN(CCN1CCCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053654	ED	On-Demand	Anodyne	DRD3	15	46
CCCN(CCN1CCCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053654	ED	On-Demand	Anodyne	CHRM4	20	40
CCCN(CCN1CCCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053654	ED	On-Demand	Anodyne	CHRM3	29	46
CCCN(CCN1CCCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053654	ED	On-Demand	Anodyne	SIGMAR1	16	41
CCCN(CCN1CCCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053654	ED	On-Demand	Anodyne	AMY2	59	35
CCCN(CCN1CCCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053654	ED	On-Demand	Anodyne	CYP2J2	40	34
CCCN(CCN1CCCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053655	ED	On-Demand	Anodyne	CHRM2	18	46
CCCN(CCN1CCCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053655	ED	On-Demand	Anodyne	CHRM1	21	46
CCCN(CCN1CCCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053655	ED	On-Demand	Anodyne	DRD3	15	46
CCCN(CCN1CCCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053655	ED	On-Demand	Anodyne	CHRM4	20	40
CCCN(CCN1CCCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053655	ED	On-Demand	Anodyne	CHRM3	29	46
CCCN(CCN1CCCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053655	ED	On-Demand	Anodyne	SIGMAR1	16	41
CCCN(CCN1CCCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053655	ED	On-Demand	Anodyne	AMY2	59	35
CCCN(CCN1CCCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053655	ED	On-Demand	Anodyne	CYP2J2	40	34
CCCN(CCN1CCCCCC1)C[C@@H](O)c1ccccn1	ZINC000852053669	DF	On-Demand	Anodyne	HNMT	35	42
CCCN(CCN1CCCCCC1)C[C@H](O)c1ccccn1	ZINC000852053670	DF	On-Demand	Anodyne	HNMT	35	42
CCN1CC[C@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1=O	ZINC000852053675	DF	On-Demand	Anodyne	BIRC8	54	34
COCCN(CCF)C(=O)NCc1cccc(CN2CCC(C)CC2)c1	ZINC000852053684	FG	On-Demand	Anodyne	DRD2	17	42
COCCN(CCF)C(=O)NCc1cccc(CN2CCC(C)CC2)c1	ZINC000852053684	FG	On-Demand	Anodyne	DRD4	29	40
COCCN(CCF)C(=O)NCc1cccc(CN2CCC(C)CC2)c1	ZINC000852053684	FG	On-Demand	Anodyne	ACHE	24	40
COCCN(CCF)C(=O)NCc1cccc(CN2CCC(C)CC2)c1	ZINC000852053684	FG	On-Demand	Anodyne	CHRM3	20	40
COCCN(CCF)C(=O)NCc1cccc(CN2CCC(C)CC2)c1	ZINC000852053684	FG	On-Demand	Anodyne	MCHR1	27	42
OC[C@]1(Cc2ccc(F)cc2)CCN(CCOC(F)F)C1	ZINC000852053717	DE	On-Demand	Anodyne	SLC6A3	32	43
OC[C@@]1(Cc2ccc(F)cc2)CCN(CCOC(F)F)C1	ZINC000852053718	DE	On-Demand	Anodyne	SLC6A3	32	43
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053724	GH	On-Demand	Clean	ACE	47	38
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053724	GH	On-Demand	Clean	MME	63	40
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053724	GH	On-Demand	Clean	TACR2	51	34
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053724	GH	On-Demand	Clean	TIMP3	65	39
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053724	GH	On-Demand	Clean	ITGA4	31	40
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053725	GH	On-Demand	Clean	ACE	47	38
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053725	GH	On-Demand	Clean	MME	63	40
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053725	GH	On-Demand	Clean	TACR2	51	34
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053725	GH	On-Demand	Clean	TIMP3	65	39
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852053725	GH	On-Demand	Clean	ITGA4	31	40
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@@H](C#N)c1ccccc1	ZINC000852053758	DG	On-Demand	Mild	PTAFR	30	43
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@H](C#N)c1ccccc1	ZINC000852053759	DG	On-Demand	Mild	PTAFR	30	43
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852053775	FD	On-Demand	Anodyne	AMY2	45	31
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852053776	FD	On-Demand	Anodyne	AMY2	45	31
CCC[C@@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852053782	EH	On-Demand	Anodyne	MME	77	40
CCC[C@@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852053782	EH	On-Demand	Anodyne	CAPNS1	43	33
CCC[C@@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852053782	EH	On-Demand	Anodyne	FPR1	21	40
CCC[C@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852053783	EH	On-Demand	Anodyne	MME	77	40
CCC[C@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852053783	EH	On-Demand	Anodyne	CAPNS1	43	33
CCC[C@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852053783	EH	On-Demand	Anodyne	FPR1	21	40
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852053811	DG	On-Demand	Anodyne	ACE	17	41
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852053811	DG	On-Demand	Anodyne	MME	33	43
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852053811	DG	On-Demand	Anodyne	TIMP3	44	35
CCC[C@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852053812	DG	On-Demand	Anodyne	ACE	17	41
CCC[C@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852053812	DG	On-Demand	Anodyne	MME	33	43
CCC[C@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852053812	DG	On-Demand	Anodyne	TIMP3	44	35
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852053813	DG	On-Demand	Anodyne	ACE	17	41
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852053813	DG	On-Demand	Anodyne	MME	33	43
CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852053813	DG	On-Demand	Anodyne	TIMP3	44	35
CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852053814	DG	On-Demand	Anodyne	ACE	17	41
CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852053814	DG	On-Demand	Anodyne	MME	33	43
CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852053814	DG	On-Demand	Anodyne	TIMP3	44	35
O[C@@H](CN1CCC(c2c(Cl)cccc2Cl)CC1)c1ccccn1	ZINC000852053823	FI	On-Demand	Anodyne	OPRL1	37	47
O[C@H](CN1CCC(c2c(Cl)cccc2Cl)CC1)c1ccccn1	ZINC000852053824	FI	On-Demand	Anodyne	OPRL1	37	47
CCC[C@@H](Cc1ccccc1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852053836	FG	On-Demand	Anodyne	MME	42	36
CCC[C@@H](Cc1ccccc1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852053836	FG	On-Demand	Anodyne	FPR1	27	41
CCC[C@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852053837	FG	On-Demand	Anodyne	MME	42	36
CCC[C@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852053837	FG	On-Demand	Anodyne	FPR1	27	41
CCC[C@@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852053838	FG	On-Demand	Anodyne	MME	42	36
CCC[C@@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852053838	FG	On-Demand	Anodyne	FPR1	27	41
CCC[C@H](Cc1ccccc1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852053839	FG	On-Demand	Anodyne	MME	42	36
CCC[C@H](Cc1ccccc1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852053839	FG	On-Demand	Anodyne	FPR1	27	41
C#C[C@H](NC(=O)N[C@H](CCC)Cc1ccccc1)C1CCOCC1	ZINC000852053893	EG	On-Demand	Mild	TACR2	40	34
C#C[C@H](NC(=O)N[C@@H](CCC)Cc1ccccc1)C1CCOCC1	ZINC000852053894	EG	On-Demand	Mild	TACR2	40	34
C#C[C@@H](NC(=O)N[C@@H](CCC)Cc1ccccc1)C1CCOCC1	ZINC000852053895	EG	On-Demand	Mild	TACR2	40	34
C#C[C@@H](NC(=O)N[C@H](CCC)Cc1ccccc1)C1CCOCC1	ZINC000852053896	EG	On-Demand	Mild	TACR2	40	34
CC(C)(C)NC(=O)CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852053918	GF	On-Demand	Anodyne	ADRB2	29	40
CC(C)(C)NC(=O)CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852053919	GF	On-Demand	Anodyne	ADRB2	29	40
CCC[C@@H](Cc1ccccc1)NC(=O)N(CCF)CCOC	ZINC000852053924	DG	On-Demand	Anodyne	MME	58	39
CCC[C@@H](Cc1ccccc1)NC(=O)N(CCF)CCOC	ZINC000852053924	DG	On-Demand	Anodyne	CAPNS1	42	31
CCC[C@@H](Cc1ccccc1)NC(=O)N(CCF)CCOC	ZINC000852053924	DG	On-Demand	Anodyne	CTRB_BOVIN	44	31
CCC[C@H](Cc1ccccc1)NC(=O)N(CCF)CCOC	ZINC000852053925	DG	On-Demand	Anodyne	MME	58	39
CCC[C@H](Cc1ccccc1)NC(=O)N(CCF)CCOC	ZINC000852053925	DG	On-Demand	Anodyne	CAPNS1	42	31
CCC[C@H](Cc1ccccc1)NC(=O)N(CCF)CCOC	ZINC000852053925	DG	On-Demand	Anodyne	CTRB_BOVIN	44	31
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852053932	GH	On-Demand	Anodyne	MME	35	41
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852053933	GH	On-Demand	Anodyne	MME	35	41
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852053934	ED	On-Demand	Reactive	MME	51	38
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852053934	ED	On-Demand	Reactive	CAPNS1	43	32
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852053935	ED	On-Demand	Reactive	MME	51	38
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852053935	ED	On-Demand	Reactive	CAPNS1	43	32
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852053945	FD	On-Demand	Reactive	CTRA_BOVIN	53	33
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852053945	FD	On-Demand	Reactive	CTSG	40	31
CCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852053945	FD	On-Demand	Reactive	CELA2A	49	33
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852053946	FD	On-Demand	Reactive	CTRA_BOVIN	53	33
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852053946	FD	On-Demand	Reactive	CTSG	40	31
CCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852053946	FD	On-Demand	Reactive	CELA2A	49	33
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1	ZINC000852053956	EE	On-Demand	Anodyne	AMY2	58	35
O=C1C[C@@H](CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CN1	ZINC000852054019	DE	On-Demand	Anodyne	MAN1B1	27	54
O=C1C[C@H](CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CN1	ZINC000852054020	DE	On-Demand	Anodyne	MAN1B1	27	54
COC(=O)N(C)CCNC(=O)NCc1cccc(CN2CCC(C)CC2)c1	ZINC000852054026	GE	On-Demand	Anodyne	ACHE	28	42
COC(=O)N(C)CCNC(=O)NCc1cccc(CN2CCC(C)CC2)c1	ZINC000852054026	GE	On-Demand	Anodyne	HRH2	28	44
COC(=O)N(C)CCNC(=O)NCc1cccc(CN2CCC(C)CC2)c1	ZINC000852054026	GE	On-Demand	Anodyne	MCHR1	25	47
C#CCOCCN1CCN(c2nccc3sccc23)CC1	ZINC000852054049	DE	On-Demand	Mild	HTR1A	17	57
C#CCOCCN1CCN(c2nccc3sccc23)CC1	ZINC000852054049	DE	On-Demand	Mild	DRD2	17	57
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054075	CF	On-Demand	Anodyne	MME	83	42
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054075	CF	On-Demand	Anodyne	ANPEP	48	34
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054075	CF	On-Demand	Anodyne	CAPNS1	53	35
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054075	CF	On-Demand	Anodyne	CAPN1	56	38
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054075	CF	On-Demand	Anodyne	CAPN2	46	39
CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054075	CF	On-Demand	Anodyne	CTRB_BOVIN	52	31
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054076	CF	On-Demand	Anodyne	MME	83	42
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054076	CF	On-Demand	Anodyne	ANPEP	48	34
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054076	CF	On-Demand	Anodyne	CAPNS1	53	35
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054076	CF	On-Demand	Anodyne	CAPN1	56	38
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054076	CF	On-Demand	Anodyne	CAPN2	46	39
CCC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852054076	CF	On-Demand	Anodyne	CTRB_BOVIN	52	31
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2OC(C)(C)C1	ZINC000852054145	FG	On-Demand	Anodyne	ADAM9	46	33
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2OC(C)(C)C1	ZINC000852054146	FG	On-Demand	Anodyne	ADAM9	46	33
CCC(CC)N(CC)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852054180	CD	On-Demand	Anodyne	AMY2	57	37
CCC(CC)N(CC)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852054181	CD	On-Demand	Anodyne	AMY2	57	37
CC(C)(C)NC(=O)CCNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852054183	GG	On-Demand	Anodyne	CCKAR	17	43
COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054204	IJ	On-Demand	Anodyne	TACR1	25	45
COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054204	IJ	On-Demand	Anodyne	MTNR1A	25	41
COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054204	IJ	On-Demand	Anodyne	MTNR1B	15	41
COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054204	IJ	On-Demand	Anodyne	MMP11	40	35
COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054204	IJ	On-Demand	Anodyne	GHSR	40	39
COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054205	IJ	On-Demand	Anodyne	TACR1	25	45
COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054205	IJ	On-Demand	Anodyne	MTNR1A	25	41
COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054205	IJ	On-Demand	Anodyne	MTNR1B	15	41
COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054205	IJ	On-Demand	Anodyne	MMP11	40	35
COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)CCc3c[nH]c4ccccc34)ccc2c1	ZINC000852054205	IJ	On-Demand	Anodyne	GHSR	40	39
CCC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054229	EF	On-Demand	Anodyne	MME	65	39
CCC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054229	EF	On-Demand	Anodyne	PAPA1_CARPA	42	36
CCC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054229	EF	On-Demand	Anodyne	CAPNS1	53	32
CCC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054229	EF	On-Demand	Anodyne	ACE2	41	35
CCC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054229	EF	On-Demand	Anodyne	CTRB_BOVIN	46	34
CCC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054229	EF	On-Demand	Anodyne	CYP3A4	25	40
CCC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054230	EF	On-Demand	Anodyne	MME	65	39
CCC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054230	EF	On-Demand	Anodyne	PAPA1_CARPA	42	36
CCC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054230	EF	On-Demand	Anodyne	CAPNS1	53	32
CCC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054230	EF	On-Demand	Anodyne	ACE2	41	35
CCC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054230	EF	On-Demand	Anodyne	CTRB_BOVIN	46	34
CCC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852054230	EF	On-Demand	Anodyne	CYP3A4	25	40
O[C@H](c1ccccc1)[C@@H](NCC1CC=CC1)c1ccccc1	ZINC000852054278	CI	On-Demand	Anodyne	MAN1B1	20	56
COCCN(CCF)C(=O)NCC(C)(C)c1ccccc1Cl	ZINC000852054311	EG	On-Demand	Anodyne	ECR	45	34
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NC(C)(C)C)C2)cc1	ZINC000852054488	FD	On-Demand	Clean	MTNR1A	15	50
COCCN(CCF)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852054576	ED	On-Demand	Anodyne	DRD4	43	34
COCCN(CCF)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852054576	ED	On-Demand	Anodyne	DRD3	15	42
COCCN(CCF)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852054576	ED	On-Demand	Anodyne	MTNR1A	24	60
COCCN(CCF)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852054576	ED	On-Demand	Anodyne	MTNR1B	27	60
COCCN(CCF)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852054576	ED	On-Demand	Anodyne	MCHR1	17	43
COCCN(CCF)C(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852054576	ED	On-Demand	Anodyne	ACKR3	59	30
O=C(CON=Cc1ccc(N2CCOCC2)cc1)NCc1ccc(OC(F)(F)F)cc1	ZINC000852054725	IG	On-Demand	Mild	CTSS	16	40
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	CTRA_BOVIN	55	33
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	CTSG	41	33
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	CTSK	18	47
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	CTSL	22	47
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	GBA	21	40
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	PREP	40	38
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	CELA2A	42	33
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	GBA2	53	40
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	F13A1	17	40
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	NAAA	30	41
O=C(NC1CC1)OC[C@H]1CCCCN1CCOCc1ccccc1	ZINC000852054773	EF	On-Demand	Anodyne	SLC12A5	49	36
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	CTRA_BOVIN	55	33
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	CTSG	41	33
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	CTSK	18	47
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	CTSL	22	47
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	GBA	21	40
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	PREP	40	38
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	CELA2A	42	33
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	GBA2	53	40
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	F13A1	17	40
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	NAAA	30	41
O=C(NC1CC1)OC[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852054774	EF	On-Demand	Anodyne	SLC12A5	49	36
N#Cc1ccc(CCN2CCCC[C@@H]2COC(=O)NC2CC2)cc1	ZINC000852054841	EF	On-Demand	Mild	HRH3	31	48
N#Cc1ccc(CCN2CCCC[C@H]2COC(=O)NC2CC2)cc1	ZINC000852054842	EF	On-Demand	Mild	HRH3	31	48
COC[C@@H](NC[C@H](O)c1ccccn1)c1cccc(Cl)c1	ZINC000852054942	DF	On-Demand	Anodyne	ADRB1	26	40
COC[C@@H](NC[C@H](O)c1ccccn1)c1cccc(Cl)c1	ZINC000852054942	DF	On-Demand	Anodyne	ADRB3	37	40
COC[C@H](NC[C@H](O)c1ccccn1)c1cccc(Cl)c1	ZINC000852054943	DF	On-Demand	Anodyne	ADRB1	26	40
COC[C@H](NC[C@H](O)c1ccccn1)c1cccc(Cl)c1	ZINC000852054943	DF	On-Demand	Anodyne	ADRB3	37	40
COC[C@@H](NC[C@@H](O)c1ccccn1)c1cccc(Cl)c1	ZINC000852054944	DF	On-Demand	Anodyne	ADRB1	26	40
COC[C@@H](NC[C@@H](O)c1ccccn1)c1cccc(Cl)c1	ZINC000852054944	DF	On-Demand	Anodyne	ADRB3	37	40
COC[C@H](NC[C@@H](O)c1ccccn1)c1cccc(Cl)c1	ZINC000852054945	DF	On-Demand	Anodyne	ADRB1	26	40
COC[C@H](NC[C@@H](O)c1ccccn1)c1cccc(Cl)c1	ZINC000852054945	DF	On-Demand	Anodyne	ADRB3	37	40
COC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(Cl)c1	ZINC000852055045	ED	On-Demand	Anodyne	PDS	59	38
COC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(Cl)c1	ZINC000852055046	ED	On-Demand	Anodyne	PDS	59	38
COC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(Cl)c1	ZINC000852055047	ED	On-Demand	Anodyne	PDS	59	38
COC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(Cl)c1	ZINC000852055048	ED	On-Demand	Anodyne	PDS	59	38
C#C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852055160	FE	On-Demand	Mild	MTNR1A	15	56
C#C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852055160	FE	On-Demand	Mild	MTNR1B	17	56
C#C[C@H](NC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852055161	FE	On-Demand	Mild	MTNR1A	15	56
C#C[C@H](NC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852055161	FE	On-Demand	Mild	MTNR1B	17	56
C#C[C@@H](NC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852055162	FE	On-Demand	Mild	MTNR1A	15	56
C#C[C@@H](NC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852055162	FE	On-Demand	Mild	MTNR1B	17	56
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852055163	FE	On-Demand	Mild	MTNR1A	15	56
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1)C1CCOCC1	ZINC000852055163	FE	On-Demand	Mild	MTNR1B	17	56
Fc1ccc2c(C3CCN(Cc4cnon4)CC3)noc2c1	ZINC000852055217	DF	On-Demand	Anodyne	DRD2	20	65
Fc1ccc2c(C3CCN(Cc4cnon4)CC3)noc2c1	ZINC000852055217	DF	On-Demand	Anodyne	HTR2A	32	56
Fc1ccc2c(C3CCN(Cc4cnon4)CC3)noc2c1	ZINC000852055217	DF	On-Demand	Anodyne	HTR7	30	50
O[C@@H](CN1CC[C@@]2(CCc3ccccc3O2)C1)c1ccccn1	ZINC000852055230	DF	On-Demand	Anodyne	SCD	29	40
O[C@H](CN1CC[C@]2(CCc3ccccc3O2)C1)c1ccccn1	ZINC000852055231	DF	On-Demand	Anodyne	SCD	29	40
O[C@H](CN1CC[C@@]2(CCc3ccccc3O2)C1)c1ccccn1	ZINC000852055232	DF	On-Demand	Anodyne	SCD	29	40
O[C@@H](CN1CC[C@]2(CCc3ccccc3O2)C1)c1ccccn1	ZINC000852055233	DF	On-Demand	Anodyne	SCD	29	40
COc1ccc(N2CC[C@H](NC(=O)NC3CC(c4ccccc4)C3)C2)cc1	ZINC000852055241	FH	On-Demand	Clean	SIGMAR1	25	46
COc1ccc(N2CC[C@H](NC(=O)NC3CC(c4ccccc4)C3)C2)cc1	ZINC000852055241	FH	On-Demand	Clean	SLC18A3	40	36
COc1ccc(N2CC[C@H](NC(=O)NC3CC(c4ccccc4)C3)C2)cc1	ZINC000852055241	FH	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)NC3CC(c4ccccc4)C3)C2)cc1	ZINC000852055241	FH	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)NC3CC(c4ccccc4)C3)C2)cc1	ZINC000852055241	FH	On-Demand	Clean	EPHX2	28	51
COc1ccc(N2CC[C@H](NC(=O)NC3CC(c4ccccc4)C3)C2)cc1	ZINC000852055241	FH	On-Demand	Clean	MCHR1	17	42
COc1ccc(N2CC[C@H](NC(=O)NC3CC(c4ccccc4)C3)C2)cc1	ZINC000852055241	FH	On-Demand	Clean	NPBWR1	41	31
Nc1n[nH]c(C2CCN(Cc3cccnc3Cl)CC2)n1	ZINC000852055299	CD	On-Demand	Anodyne	DRD4	18	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC)c(F)c3)C2)cc1	ZINC000852055317	GF	On-Demand	Clean	CCR3	30	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC)c(F)c3)C2)cc1	ZINC000852055317	GF	On-Demand	Clean	UTS2R	16	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC)c(F)c3)C2)cc1	ZINC000852055317	GF	On-Demand	Clean	MTNR1A	32	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC)c(F)c3)C2)cc1	ZINC000852055317	GF	On-Demand	Clean	MTNR1B	26	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(OC)c(F)c3)C2)cc1	ZINC000852055317	GF	On-Demand	Clean	MCHR1	21	48
O=C1CC[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)O1	ZINC000852055383	DF	On-Demand	Anodyne	DRD2	22	62
O=C1CC[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)O1	ZINC000852055383	DF	On-Demand	Anodyne	HTR2A	34	60
O=C1CC[C@H](CN2CCC(c3noc4cc(F)ccc34)CC2)O1	ZINC000852055383	DF	On-Demand	Anodyne	HTR7	30	52
O=C1CC[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)O1	ZINC000852055388	DF	On-Demand	Anodyne	DRD2	22	62
O=C1CC[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)O1	ZINC000852055388	DF	On-Demand	Anodyne	HTR2A	34	60
O=C1CC[C@@H](CN2CCC(c3noc4cc(F)ccc34)CC2)O1	ZINC000852055388	DF	On-Demand	Anodyne	HTR7	30	52
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc2c(c1)CC(=O)N2C	ZINC000852055394	GF	On-Demand	Anodyne	CACNA1I	55	36
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc2c(c1)CC(=O)N2C	ZINC000852055395	GF	On-Demand	Anodyne	CACNA1I	55	36
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc2c(c1)CC(=O)N2C	ZINC000852055460	FD	On-Demand	Anodyne	MAPK1	55	45
Nc1n[nH]c(C2CCN(CCCON3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000852055473	FD	On-Demand	Anodyne	HTR1A	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1	ZINC000852055496	GG	On-Demand	Anodyne	SIGMAR1	15	44
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1	ZINC000852055496	GG	On-Demand	Anodyne	CCR3	40	38
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1	ZINC000852055496	GG	On-Demand	Anodyne	EPHX2	33	48
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1	ZINC000852055500	GG	On-Demand	Anodyne	SIGMAR1	15	44
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1	ZINC000852055500	GG	On-Demand	Anodyne	CCR3	40	38
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC1CCN(CC(F)F)CC1	ZINC000852055500	GG	On-Demand	Anodyne	EPHX2	33	48
Fc1ccc2c(C3CCN(CCOC(F)F)CC3)noc2c1	ZINC000852055502	DG	On-Demand	Anodyne	DRD2	25	71
Fc1ccc2c(C3CCN(CCOC(F)F)CC3)noc2c1	ZINC000852055502	DG	On-Demand	Anodyne	HTR2A	35	58
Fc1ccc2c(C3CCN(CCOC(F)F)CC3)noc2c1	ZINC000852055502	DG	On-Demand	Anodyne	HTR7	34	54
CCOP(=O)(OCC)[C@H](O)CN1CCCN2c3ccccc3C[C@@H]2C1	ZINC000852055509	FF	On-Demand	Anodyne	ADAM9	50	33
CCOP(=O)(OCC)[C@@H](O)CN1CCCN2c3ccccc3C[C@H]2C1	ZINC000852055511	FF	On-Demand	Anodyne	ADAM9	50	33
CCOP(=O)(OCC)[C@@H](O)CN1CCCN2c3ccccc3C[C@@H]2C1	ZINC000852055514	FF	On-Demand	Anodyne	ADAM9	50	33
COc1ccccc1N(CCO)CC(=O)Nc1ccc(Cl)nc1	ZINC000852055515	EE	On-Demand	Anodyne	ENPP1	55	34
CCOP(=O)(OCC)[C@H](O)CN1CCCN2c3ccccc3C[C@H]2C1	ZINC000852055516	FF	On-Demand	Anodyne	ADAM9	50	33
CCO[C@@H]1C[C@@H](NC(=O)NCCNc2ccc(C(F)(F)F)cn2)C1	ZINC000852055536	EE	On-Demand	Anodyne	EPHX2	15	45
Nc1n[nH]c(C2CCN(CC(=O)OCc3ccccc3)CC2)n1	ZINC000852055540	DD	On-Demand	Anodyne	CPT1A	60	39
Nc1n[nH]c(C2CCN(CC(=O)OCc3ccccc3)CC2)n1	ZINC000852055540	DD	On-Demand	Anodyne	SLC12A5	50	35
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccc4ccccc4c3)CC2)n1	ZINC000852055545	FE	On-Demand	Anodyne	DRD4	24	48
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccc4ccccc4c3)CC2)n1	ZINC000852055545	FE	On-Demand	Anodyne	ACOX1	49	36
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccc4ccccc4c3)CC2)n1	ZINC000852055545	FE	On-Demand	Anodyne	MCHR1	42	36
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccc4ccccc4c3)CC2)n1	ZINC000852055545	FE	On-Demand	Anodyne	IMDH_CRYPV	35	43
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852055549	GF	On-Demand	Anodyne	HTR4	37	40
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852055549	GF	On-Demand	Anodyne	CCR3	36	41
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852055551	GF	On-Demand	Anodyne	HTR4	37	40
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852055551	GF	On-Demand	Anodyne	CCR3	36	41
O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852055559	GH	On-Demand	Anodyne	DRD2	18	55
O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852055559	GH	On-Demand	Anodyne	HTR2A	32	51
O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852055559	GH	On-Demand	Anodyne	HTR7	29	49
O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852055559	GH	On-Demand	Anodyne	MCHR1	20	40
Nc1n[nH]c(C2CCN(Cc3cc4ccccc4c(Cl)n3)CC2)n1	ZINC000852055565	EF	On-Demand	Anodyne	DRD4	18	43
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	ZINC000852055584	FE	On-Demand	Reactive	CCR2	28	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	ZINC000852055586	FE	On-Demand	Reactive	CCR2	28	40
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852055594	GF	On-Demand	Reactive	EPHX2	25	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852055617	FF	On-Demand	Reactive	GLRA1	41	34
CN(C)CCCOc1ccc(CNC(=O)NNC(=O)c2cccc(F)n2)cc1	ZINC000852055621	GD	On-Demand	Reactive	LTA4H	17	40
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)n1	ZINC000852055623	GF	On-Demand	Anodyne	SLC27A1	45	41
Nc1n[nH]c(C2CCN(CC(=O)NNC(=O)c3cccc(Cl)c3)CC2)n1	ZINC000852055633	GC	On-Demand	Reactive	DRD4	27	42
Nc1n[nH]c(C2CCN(CC(=O)NNC(=O)c3cccc(Cl)c3)CC2)n1	ZINC000852055633	GC	On-Demand	Reactive	CACNA1I	33	41
O=C(NCCCC1CCC1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852055642	EF	On-Demand	Reactive	DRD4	42	32
O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cccc(OC(F)F)c3)CC[C@@H]2N1	ZINC000852055646	GD	On-Demand	Reactive	DRD4	41	32
O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cccc(OC(F)F)c3)CC[C@H]2N1	ZINC000852055647	GD	On-Demand	Reactive	DRD4	41	32
O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cccc(OC(F)F)c3)CC[C@H]2N1	ZINC000852055648	GD	On-Demand	Reactive	DRD4	41	32
O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cccc(OC(F)F)c3)CC[C@@H]2N1	ZINC000852055649	GD	On-Demand	Reactive	DRD4	41	32
COc1ccc2c(CN3CCC(c4nc(N)n[nH]4)CC3)cc(=O)oc2c1	ZINC000852055650	FD	On-Demand	Anodyne	CYP19A1	15	49
COc1ccc2c(CN3CCC(c4nc(N)n[nH]4)CC3)cc(=O)oc2c1	ZINC000852055650	FD	On-Demand	Anodyne	CYP11B1	17	44
O=C(NCCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852055651	GG	On-Demand	Anodyne	DRD4	15	42
O=C(NCCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852055651	GG	On-Demand	Anodyne	ACHE	31	44
O=C(NCCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852055651	GG	On-Demand	Anodyne	HTR4	28	44
O=C(NCCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852055651	GG	On-Demand	Anodyne	SIGMAR1	34	44
O=C(NCCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852055651	GG	On-Demand	Anodyne	CCR3	46	46
O=C(NCCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852055652	GG	On-Demand	Anodyne	DRD4	15	42
O=C(NCCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852055652	GG	On-Demand	Anodyne	ACHE	31	44
O=C(NCCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852055652	GG	On-Demand	Anodyne	HTR4	28	44
O=C(NCCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852055652	GG	On-Demand	Anodyne	SIGMAR1	34	44
O=C(NCCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852055652	GG	On-Demand	Anodyne	CCR3	46	46
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055661	GD	On-Demand	Reactive	DRD4	21	43
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055661	GD	On-Demand	Reactive	HTR1D	24	40
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055661	GD	On-Demand	Reactive	HTR4	34	45
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055661	GD	On-Demand	Reactive	SIGMAR1	25	42
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055661	GD	On-Demand	Reactive	CCR3	56	43
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055664	GD	On-Demand	Reactive	DRD4	21	43
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055664	GD	On-Demand	Reactive	HTR1D	24	40
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055664	GD	On-Demand	Reactive	HTR4	34	45
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055664	GD	On-Demand	Reactive	SIGMAR1	25	42
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852055664	GD	On-Demand	Reactive	CCR3	56	43
O=S1(=O)N=C(CN2CCC(c3noc4cc(F)ccc34)CC2)c2ccccc21	ZINC000852055681	GG	On-Demand	Anodyne	DRD2	21	58
O=S1(=O)N=C(CN2CCC(c3noc4cc(F)ccc34)CC2)c2ccccc21	ZINC000852055681	GG	On-Demand	Anodyne	HTR2A	33	59
O=S1(=O)N=C(CN2CCC(c3noc4cc(F)ccc34)CC2)c2ccccc21	ZINC000852055681	GG	On-Demand	Anodyne	HTR7	32	56
O=C(NC1CC1)OC[C@@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852055695	FF	On-Demand	Bother	CCR3	18	42
O=C(NC1CC1)OC[C@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852055697	FF	On-Demand	Bother	CCR3	18	42
CC(C)c1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccc3c(c1)CC(=O)N3C)CC2	ZINC000852055773	GI	On-Demand	Anodyne	MAPK1	41	40
CC(C)c1ccc2c(c1)CN(C(=O)N[C@H](C)c1ccc3c(c1)CC(=O)N3C)CC2	ZINC000852055775	GI	On-Demand	Anodyne	MAPK1	41	40
C[C@H](O)CN(CCO)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852055801	CB	On-Demand	Anodyne	AMY2	56	34
C[C@H](O)CN(CCO)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852055805	CB	On-Demand	Anodyne	AMY2	56	34
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055878	FF	On-Demand	Reactive	DRD2	15	42
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055878	FF	On-Demand	Reactive	DRD4	27	42
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055878	FF	On-Demand	Reactive	HTR4	37	43
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055878	FF	On-Demand	Reactive	CCR3	33	43
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055878	FF	On-Demand	Reactive	CACNA1I	65	36
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055880	FF	On-Demand	Reactive	DRD2	15	42
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055880	FF	On-Demand	Reactive	DRD4	27	42
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055880	FF	On-Demand	Reactive	HTR4	37	43
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055880	FF	On-Demand	Reactive	CCR3	33	43
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852055880	FF	On-Demand	Reactive	CACNA1I	65	36
O=C(NCCO[C@H]1CC1(F)F)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852055892	FD	On-Demand	Reactive	DRD4	40	31
O=C(NCCO[C@@H]1CC1(F)F)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852055894	FD	On-Demand	Reactive	DRD4	40	31
CC(C)c1ccc2c(c1)CN(C(=O)NNC(=O)c1cccc(C#N)c1)CC2	ZINC000852055953	FG	On-Demand	Reactive	AKR1C3	19	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)OC(C)(C)C	ZINC000852055962	FE	On-Demand	Anodyne	DRD2	16	51
CO[C@@](C)(CNC(=O)NNC(=O)c1cccc(C#N)c1)COCc1ccccc1	ZINC000852055963	GE	On-Demand	Reactive	ECR	17	43
CO[C@@](C)(CNC(=O)NNC(=O)c1cccc(C#N)c1)COCc1ccccc1	ZINC000852055963	GE	On-Demand	Reactive	CTRB_BOVIN	46	36
Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1cccc(C#N)c1	ZINC000852055973	GD	On-Demand	Reactive	ITK	17	40
COC[C@@H](CCNC(=O)NNC(=O)c1cccc(OC(F)F)c1)OC	ZINC000852056008	FD	On-Demand	Reactive	DRD4	42	32
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852056031	FD	On-Demand	Anodyne	DRD4	46	36
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852056031	FD	On-Demand	Anodyne	DRD3	15	42
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852056031	FD	On-Demand	Anodyne	MTNR1A	35	60
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1	ZINC000852056031	FD	On-Demand	Anodyne	MTNR1B	33	60
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852056035	FD	On-Demand	Anodyne	DRD4	46	36
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852056035	FD	On-Demand	Anodyne	DRD3	15	42
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852056035	FD	On-Demand	Anodyne	MTNR1A	35	60
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1	ZINC000852056035	FD	On-Demand	Anodyne	MTNR1B	33	60
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852056040	FF	On-Demand	Anodyne	HTR4	31	41
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852056040	FF	On-Demand	Anodyne	SIGMAR1	31	44
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852056040	FF	On-Demand	Anodyne	CCR3	28	42
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852056040	FF	On-Demand	Anodyne	BIRC2	34	40
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852056042	FF	On-Demand	Anodyne	HTR4	31	41
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852056042	FF	On-Demand	Anodyne	SIGMAR1	31	44
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852056042	FF	On-Demand	Anodyne	CCR3	28	42
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852056042	FF	On-Demand	Anodyne	BIRC2	34	40
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852056046	FF	On-Demand	Anodyne	HTR4	31	41
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852056046	FF	On-Demand	Anodyne	SIGMAR1	31	44
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852056046	FF	On-Demand	Anodyne	CCR3	28	42
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852056046	FF	On-Demand	Anodyne	BIRC2	34	40
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852056049	FF	On-Demand	Anodyne	HTR4	31	41
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852056049	FF	On-Demand	Anodyne	SIGMAR1	31	44
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852056049	FF	On-Demand	Anodyne	CCR3	28	42
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852056049	FF	On-Demand	Anodyne	BIRC2	34	40
Nc1n[nH]c(C2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)n1	ZINC000852056052	GC	On-Demand	Reactive	DRD4	25	42
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056061	GE	On-Demand	Reactive	DRD4	44	33
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056061	GE	On-Demand	Reactive	HTR4	44	38
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056061	GE	On-Demand	Reactive	CCR3	57	37
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056061	GE	On-Demand	Reactive	CACNA1I	83	44
O=C(NNC(=O)c1cccc(OC(F)F)c1)NC1CCC(C2CCC2)CC1	ZINC000852056074	GH	On-Demand	Reactive	EPHX2	23	41
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056079	GE	On-Demand	Reactive	DRD4	43	32
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056079	GE	On-Demand	Reactive	CCR3	63	38
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056079	GE	On-Demand	Reactive	CACNA1I	57	36
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056111	EG	On-Demand	Reactive	ACE2	40	34
Cc1nc(CN2CCC(c3nc(N)n[nH]3)CC2)nc2ccccc12	ZINC000852056119	DE	On-Demand	Anodyne	DRD4	20	40
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	DRD2	17	43
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	DRD4	22	41
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	ACHE	27	43
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	HTR1D	21	41
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	HTR1B	16	41
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	OPRM1	18	46
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	HTR4	43	48
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	GRIN2B	51	46
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	LTA4H	19	40
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	SIGMAR1	42	45
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	CCR3	43	45
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	CACNA1I	46	35
O=C(NCc1ncccn1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056122	ED	On-Demand	Anodyne	BIRC2	50	41
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	DRD2	17	43
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	DRD4	22	41
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	ACHE	27	43
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	HTR1D	21	41
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	HTR1B	16	41
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	OPRM1	18	46
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	HTR4	43	48
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	GRIN2B	51	46
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	LTA4H	19	40
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	SIGMAR1	42	45
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	CCR3	43	45
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	CACNA1I	46	35
O=C(NCc1ncccn1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056123	ED	On-Demand	Anodyne	BIRC2	50	41
Nc1n[nH]c(C2CCN(CCS(=O)(=O)Cc3ccccc3)CC2)n1	ZINC000852056131	ED	On-Demand	Anodyne	GRIN2B	21	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC(F)F)CC3)C2)cc1	ZINC000852056159	GE	On-Demand	Clean	DRD4	23	43
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC(F)F)CC3)C2)cc1	ZINC000852056159	GE	On-Demand	Clean	SIGMAR1	22	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC(F)F)CC3)C2)cc1	ZINC000852056159	GE	On-Demand	Clean	CCR3	33	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC(F)F)CC3)C2)cc1	ZINC000852056159	GE	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC(F)F)CC3)C2)cc1	ZINC000852056159	GE	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC(F)F)CC3)C2)cc1	ZINC000852056159	GE	On-Demand	Clean	EPHX2	41	39
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC(F)F)CC3)C2)cc1	ZINC000852056159	GE	On-Demand	Clean	PDK1	41	37
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC(F)F)CC3)C2)cc1	ZINC000852056159	GE	On-Demand	Clean	MCHR1	27	42
C#CCOCCN1CCC(c2noc3cc(F)ccc23)CC1	ZINC000852056168	DF	On-Demand	Mild	DRD2	24	67
C#CCOCCN1CCC(c2noc3cc(F)ccc23)CC1	ZINC000852056168	DF	On-Demand	Mild	HTR2A	34	57
C#CCOCCN1CCC(c2noc3cc(F)ccc23)CC1	ZINC000852056168	DF	On-Demand	Mild	HTR7	32	54
Nc1cccc(CN2CC[C@@]3(CCc4ccccc4O3)C2)c1	ZINC000852056227	CG	On-Demand	Anodyne	SIGMAR1	24	63
Nc1cccc(CN2CC[C@]3(CCc4ccccc4O3)C2)c1	ZINC000852056230	CG	On-Demand	Anodyne	SIGMAR1	24	63
O=C(NCCNc1ccc(C(F)(F)F)cn1)NCc1ncccn1	ZINC000852056257	ED	On-Demand	Anodyne	TRPV1	18	42
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852056273	GF	On-Demand	Reactive	SLC6A5	26	44
O=C(NNC(=O)c1cccc(OC(F)F)c1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852056274	GF	On-Demand	Reactive	SLC6A5	26	44
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccc(SC(F)F)cc3)CC2)n1	ZINC000852056278	GF	On-Demand	Anodyne	AURKB	42	39
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccc(SC(F)F)cc3)CC2)n1	ZINC000852056278	GF	On-Demand	Anodyne	AURKC	52	37
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	DRD2	20	45
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	DRD4	28	45
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	ACHE	31	44
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	SLC6A1	46	33
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	OPRM1	21	44
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	DRD3	16	45
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	OPRD1	18	44
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	SLC6A3	16	40
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	HTR4	51	49
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	LTA4H	15	42
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	SIGMAR1	43	40
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	CACNA1I	58	36
COCCN(CCF)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056279	FE	On-Demand	Anodyne	ACKR3	50	31
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	DRD2	20	45
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	DRD4	28	45
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	ACHE	31	44
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	SLC6A1	46	33
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	OPRM1	21	44
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	DRD3	16	45
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	OPRD1	18	44
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	SLC6A3	16	40
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	HTR4	51	49
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	LTA4H	15	42
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	SIGMAR1	43	40
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	CACNA1I	58	36
COCCN(CCF)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056280	FE	On-Demand	Anodyne	ACKR3	50	31
Nc1n[nH]c(C2CCN(CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)n1	ZINC000852056287	GD	On-Demand	Anodyne	MTOR	70	38
Nc1n[nH]c(C2CCN(CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)n1	ZINC000852056287	GD	On-Demand	Anodyne	STAT6	67	37
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1	ZINC000852056292	GI	On-Demand	Anodyne	ACACA	22	43
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1	ZINC000852056292	GI	On-Demand	Anodyne	ACE2	19	43
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)n1	ZINC000852056298	GE	On-Demand	Anodyne	SLC27A1	45	41
Nc1n[nH]c(C2CCN(C[C@H](O)c3ccccc3Cl)CC2)n1	ZINC000852056302	DD	On-Demand	Anodyne	OPRL1	41	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CCN(CC(F)F)CC1	ZINC000852056303	GE	On-Demand	Clean	EPHX2	27	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CCN(CC(F)F)CC1	ZINC000852056303	GE	On-Demand	Clean	MCHR1	18	52
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	ZINC000852056304	FE	On-Demand	Reactive	MCHR1	25	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)c2cccc(C#N)c2)C1	ZINC000852056306	FE	On-Demand	Reactive	MCHR1	25	43
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@H]3C[C@H]3C2)c1	ZINC000852056314	CD	On-Demand	Reactive	L3MBTL3	41	37
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@@H]3C[C@@H]3C2)c1	ZINC000852056315	CD	On-Demand	Reactive	L3MBTL3	41	37
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@H]3C[C@@H]3C2)c1	ZINC000852056316	CD	On-Demand	Reactive	L3MBTL3	41	37
CC(C)(C)OC(=O)NCCCCCCN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852056317	FF	On-Demand	Anodyne	DRD2	17	48
N#Cc1cccc(C(=O)NNC(=O)N2CC[C@@H]3C[C@H]3C2)c1	ZINC000852056318	CD	On-Demand	Reactive	L3MBTL3	41	37
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852056347	FD	On-Demand	Reactive	DRD4	41	32
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852056347	FD	On-Demand	Reactive	CCR3	41	44
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852056347	FD	On-Demand	Reactive	MCHR1	31	43
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852056347	FD	On-Demand	Reactive	CACNA1I	68	44
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc(C#N)c1	ZINC000852056351	DE	On-Demand	Reactive	KCNJ11	24	44
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc(C#N)c1	ZINC000852056351	DE	On-Demand	Reactive	ECR	25	48
Nc1n[nH]c(C2CCN(CCC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)n1	ZINC000852056359	GD	On-Demand	Anodyne	DRD4	21	41
N#Cc1cccc(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852056360	FD	On-Demand	Reactive	SCN2A	19	46
N#Cc1cccc(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852056360	FD	On-Demand	Reactive	SCN10A	20	46
CC(C)(C)OC(=O)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852056370	FE	On-Demand	Anodyne	CACNA1I	58	37
CC[C@@H](C)CCNC(=O)NCCCNC(=O)OC(C)(C)C	ZINC000852056408	DF	On-Demand	Anodyne	CTSK	18	48
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc(C#N)c1	ZINC000852056445	DE	On-Demand	Reactive	CTRB_BOVIN	49	34
O=C(NC1CC(c2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852056473	EE	On-Demand	Anodyne	EPHX2	23	40
O=C(NC1CC(c2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852056473	EE	On-Demand	Anodyne	SMO	35	45
O=C(NC1CC(c2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852056474	EE	On-Demand	Anodyne	EPHX2	23	40
O=C(NC1CC(c2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852056474	EE	On-Demand	Anodyne	SMO	35	45
Fc1ccc2c(C3CCN(CC=C(Cl)Cl)CC3)noc2c1	ZINC000852056510	EI	On-Demand	Anodyne	DRD2	21	67
Fc1ccc2c(C3CCN(CC=C(Cl)Cl)CC3)noc2c1	ZINC000852056510	EI	On-Demand	Anodyne	HTR2A	33	57
Fc1ccc2c(C3CCN(CC=C(Cl)Cl)CC3)noc2c1	ZINC000852056510	EI	On-Demand	Anodyne	HTR7	32	55
Nc1n[nH]c(C2CCN(Cc3ccc(CF)cc3)CC2)n1	ZINC000852056560	CE	On-Demand	Anodyne	DRD4	20	43
C#C[C@H](NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1	ZINC000852056563	FE	On-Demand	Mild	HTR4	43	43
C#C[C@H](NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1	ZINC000852056563	FE	On-Demand	Mild	CCR3	23	40
C#C[C@H](NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1	ZINC000852056564	FE	On-Demand	Mild	HTR4	43	43
C#C[C@H](NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1	ZINC000852056564	FE	On-Demand	Mild	CCR3	23	40
C#C[C@@H](NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1	ZINC000852056565	FE	On-Demand	Mild	HTR4	43	43
C#C[C@@H](NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1	ZINC000852056565	FE	On-Demand	Mild	CCR3	23	40
C#C[C@@H](NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1	ZINC000852056566	FE	On-Demand	Mild	HTR4	43	43
C#C[C@@H](NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1	ZINC000852056566	FE	On-Demand	Mild	CCR3	23	40
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056572	DD	On-Demand	Reactive	DRD4	42	32
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	ZINC000852056579	FE	On-Demand	Reactive	DRD4	40	31
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	ZINC000852056580	FE	On-Demand	Reactive	DRD4	40	31
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CCC(c3nc(N)n[nH]3)CC2)CC1	ZINC000852056585	GF	On-Demand	Anodyne	CACNA1I	41	32
O=C(NNC(=O)N1CCc2nccnc2C1)c1cccc(OC(F)F)c1	ZINC000852056589	FD	On-Demand	Reactive	DRD4	42	32
CN(C)CCCOc1ccc(CNC(=O)NCC2SCCS2)cc1	ZINC000852056591	FF	On-Demand	Anodyne	LTA4H	20	40
Nc1n[nH]c(C2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000852056600	GE	On-Demand	Anodyne	HTR1A	44	52
Nc1n[nH]c(C2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000852056600	GE	On-Demand	Anodyne	DRD2	22	47
Nc1n[nH]c(C2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000852056600	GE	On-Demand	Anodyne	HTR7	36	44
Nc1n[nH]c(C2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)n1	ZINC000852056600	GE	On-Demand	Anodyne	SIGMAR1	15	43
Cc1cccc(C(=O)NNC(=O)CN2CCC(c3nc(N)n[nH]3)CC2)c1	ZINC000852056603	FC	On-Demand	Reactive	DRD4	23	50
CN(C)CCCOc1ccc(CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852056619	GF	On-Demand	Reactive	KLKB1	17	42
CN(C)CCCOc1ccc(CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852056619	GF	On-Demand	Reactive	F10	30	44
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)c1cccc(C#N)c1	ZINC000852056621	DD	On-Demand	Reactive	ABCC9	32	40
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc(OC(F)F)c1	ZINC000852056625	FF	On-Demand	Reactive	DRD4	41	32
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc(OC(F)F)c1	ZINC000852056626	FF	On-Demand	Reactive	DRD4	41	32
N#Cc1cccc(C(=O)NNC(=O)N2CCC3(CCc4ccccc4O3)CC2)c1	ZINC000852056642	GF	On-Demand	Reactive	TRPM8	24	48
Cn1cc(CCNC(=O)NCCCNC(=O)OC(C)(C)C)c2ccccc21	ZINC000852056644	FF	On-Demand	Anodyne	MTNR1A	22	44
Cn1cc(CCNC(=O)NCCCNC(=O)OC(C)(C)C)c2ccccc21	ZINC000852056644	FF	On-Demand	Anodyne	MTNR1B	16	44
CC(C)(C)OC(=O)NCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852056645	GE	On-Demand	Anodyne	HRH2	25	42
CC(C)(C)OC(=O)NCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852056645	GE	On-Demand	Anodyne	SCN2A	18	45
CC(C)(C)OC(=O)NCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852056645	GE	On-Demand	Anodyne	SCN10A	30	45
O=C(NNC(=O)c1cccc(F)n1)NC1CCN(CC(F)F)CC1	ZINC000852056688	EC	On-Demand	Reactive	EPHX2	30	40
O=C(NNC(=O)c1cccc(F)n1)NC1CCN(CC(F)F)CC1	ZINC000852056688	EC	On-Demand	Reactive	HPGDS	33	41
Nc1n[nH]c(C2CCN(C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)n1	ZINC000852056793	GE	On-Demand	Anodyne	ACOX1	80	37
Nc1n[nH]c(C2CCN(C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)n1	ZINC000852056793	GE	On-Demand	Anodyne	ABCB1	53	37
Nc1n[nH]c(C2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)n1	ZINC000852056818	GD	On-Demand	Anodyne	DRD4	29	40
Nc1n[nH]c(C2CCN(CCOC(=O)Cc3ccccc3)CC2)n1	ZINC000852056825	ED	On-Demand	Anodyne	LTA4H	30	45
Nc1n[nH]c(C2CCN(CCOC(=O)Cc3ccccc3)CC2)n1	ZINC000852056825	ED	On-Demand	Anodyne	SIGMAR1	30	42
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	DRD2	16	42
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	DRD4	22	42
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	ACHE	26	44
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	OPRM1	17	46
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	HTR4	43	46
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	SIGMAR1	33	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	CCR3	49	44
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	CACNA1I	52	37
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056835	FD	On-Demand	Anodyne	BIRC2	26	40
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	DRD2	16	42
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	DRD4	22	42
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	ACHE	26	44
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	OPRM1	17	46
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	HTR4	43	46
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	SIGMAR1	33	41
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	CCR3	49	44
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	CACNA1I	52	37
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056836	FD	On-Demand	Anodyne	BIRC2	26	40
CC(C)(C)N1CC[C@@H](NC(=O)NCCNc2ccc(C(F)(F)F)cn2)C1	ZINC000852056842	FF	On-Demand	Anodyne	CCR2	51	36
CC(C)(C)N1CC[C@H](NC(=O)NCCNc2ccc(C(F)(F)F)cn2)C1	ZINC000852056843	FF	On-Demand	Anodyne	CCR2	51	36
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852056847	GD	On-Demand	Anodyne	HTR4	44	42
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852056847	GD	On-Demand	Anodyne	SIGMAR1	24	40
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852056848	GD	On-Demand	Anodyne	HTR4	44	42
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852056848	GD	On-Demand	Anodyne	SIGMAR1	24	40
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852056849	GD	On-Demand	Anodyne	HTR4	44	42
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852056849	GD	On-Demand	Anodyne	SIGMAR1	24	40
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852056850	GD	On-Demand	Anodyne	HTR4	44	42
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852056850	GD	On-Demand	Anodyne	SIGMAR1	24	40
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCN(CCc4ccccc4)C3)C2)N1	ZINC000852056865	GE	On-Demand	Anodyne	HTR4	18	41
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCN(CCc4ccccc4)C3)C2)N1	ZINC000852056865	GE	On-Demand	Anodyne	SIGMAR1	18	40
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)C2)N1	ZINC000852056866	GE	On-Demand	Anodyne	HTR4	18	41
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCN(CCc4ccccc4)C3)C2)N1	ZINC000852056866	GE	On-Demand	Anodyne	SIGMAR1	18	40
Nc1n[nH]c(C2CCN(Cc3cc(Cl)nc4ccccc34)CC2)n1	ZINC000852056870	EF	On-Demand	Anodyne	DRD4	22	44
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056871	GE	On-Demand	Reactive	DRD4	40	30
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056872	GE	On-Demand	Reactive	DRD4	40	30
O=C(NCCC1SCCS1)NC1CCN(CC(F)F)CC1	ZINC000852056877	EE	On-Demand	Anodyne	EPHX2	15	41
Nc1n[nH]c(C2CCN(C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)n1	ZINC000852056894	GE	On-Demand	Anodyne	ACOX1	80	37
Nc1n[nH]c(C2CCN(C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)n1	ZINC000852056894	GE	On-Demand	Anodyne	ABCB1	53	37
O=C(NCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056912	FF	On-Demand	Anodyne	DRD4	17	43
O=C(NCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056912	FF	On-Demand	Anodyne	ACHE	26	41
O=C(NCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056912	FF	On-Demand	Anodyne	OPRM1	17	43
O=C(NCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056912	FF	On-Demand	Anodyne	HTR4	36	47
O=C(NCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056912	FF	On-Demand	Anodyne	SIGMAR1	45	44
O=C(NCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056912	FF	On-Demand	Anodyne	CCR3	46	45
O=C(NCC1SCCS1)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852056912	FF	On-Demand	Anodyne	CACNA1I	40	37
O=C(NCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056914	FF	On-Demand	Anodyne	DRD4	17	43
O=C(NCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056914	FF	On-Demand	Anodyne	ACHE	26	41
O=C(NCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056914	FF	On-Demand	Anodyne	OPRM1	17	43
O=C(NCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056914	FF	On-Demand	Anodyne	HTR4	36	47
O=C(NCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056914	FF	On-Demand	Anodyne	SIGMAR1	45	44
O=C(NCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056914	FF	On-Demand	Anodyne	CCR3	46	45
O=C(NCC1SCCS1)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC000852056914	FF	On-Demand	Anodyne	CACNA1I	40	37
O=C(NNC(=O)N1CCO[C@H](CC(F)(F)F)C1)c1cccc(OC(F)F)c1	ZINC000852056925	GE	On-Demand	Reactive	DRD4	40	30
O=C(NNC(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1cccc(OC(F)F)c1	ZINC000852056927	GE	On-Demand	Reactive	DRD4	40	30
COC(=O)N(C)CCNC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056930	FC	On-Demand	Reactive	DRD4	43	32
COCCN(CCF)C(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056937	ED	On-Demand	Reactive	DRD4	41	31
CC(=O)NCCCN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852056938	CC	On-Demand	Anodyne	ADRA1B	16	40
COCCN(CCF)C(=O)NCC(C)(C)c1ccc(F)cc1	ZINC000852056941	DF	On-Demand	Anodyne	CACNA1G	21	40
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056946	DF	On-Demand	Anodyne	DRD4	19	43
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056946	DF	On-Demand	Anodyne	HTR4	32	45
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056946	DF	On-Demand	Anodyne	SIGMAR1	36	46
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056946	DF	On-Demand	Anodyne	CCR3	49	45
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056946	DF	On-Demand	Anodyne	BIRC2	44	39
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056948	DF	On-Demand	Anodyne	DRD4	19	43
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056948	DF	On-Demand	Anodyne	HTR4	32	45
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056948	DF	On-Demand	Anodyne	SIGMAR1	36	46
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056948	DF	On-Demand	Anodyne	CCR3	49	45
O=C(NC[C@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056948	DF	On-Demand	Anodyne	BIRC2	44	39
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056950	DF	On-Demand	Anodyne	DRD4	19	43
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056950	DF	On-Demand	Anodyne	HTR4	32	45
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056950	DF	On-Demand	Anodyne	SIGMAR1	36	46
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056950	DF	On-Demand	Anodyne	CCR3	49	45
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852056950	DF	On-Demand	Anodyne	BIRC2	44	39
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056951	DF	On-Demand	Anodyne	DRD4	19	43
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056951	DF	On-Demand	Anodyne	HTR4	32	45
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056951	DF	On-Demand	Anodyne	SIGMAR1	36	46
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056951	DF	On-Demand	Anodyne	CCR3	49	45
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852056951	DF	On-Demand	Anodyne	BIRC2	44	39
CCC(C)(C)[C@@H](C)NC(=O)NCCCNC(=O)OC(C)(C)C	ZINC000852056952	DG	On-Demand	Anodyne	CTSK	17	44
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056987	FE	On-Demand	Reactive	DRD4	42	32
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056987	FE	On-Demand	Reactive	CACNA1I	61	38
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056989	FE	On-Demand	Reactive	DRD4	42	32
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852056989	FE	On-Demand	Reactive	CACNA1I	61	38
COC1CC(CCNC(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	ZINC000852056990	FE	On-Demand	Reactive	DRD4	44	33
COC(=O)/C=C\c1ccc(OCCN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852057017	FD	On-Demand	Anodyne	LTA4H	35	40
COC(=O)/C=C\c1ccc(OCCN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852057017	FD	On-Demand	Anodyne	HRH3	19	40
Nc1n[nH]c(C2CCN(Cc3cc(Cl)nc(Cl)c3)CC2)n1	ZINC000852057031	EE	On-Demand	Anodyne	DRD4	15	45
Nc1n[nH]c(C2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)n1	ZINC000852057047	ED	On-Demand	Anodyne	HSD17B3	30	46
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1	ZINC000852057063	FD	On-Demand	Reactive	CCR3	44	45
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1	ZINC000852057063	FD	On-Demand	Reactive	MCHR1	24	41
COC1CC(CCNC(=O)NNC(=O)c2cccc(C#N)c2)C1	ZINC000852057082	DD	On-Demand	Reactive	DRD4	40	30
N#Cc1cccc(C(=O)NNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852057085	GF	On-Demand	Reactive	KCNH2	48	46
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCN(CC3CC3)C2)c1	ZINC000852057094	FD	On-Demand	Reactive	CCR3	44	45
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCN(CC3CC3)C2)c1	ZINC000852057094	FD	On-Demand	Reactive	MCHR1	24	41
Nc1n[nH]c(C2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2)n1	ZINC000852057099	GD	On-Demand	Bother	PRCP	40	35
CN(C)CCCOc1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852057102	ED	On-Demand	Anodyne	LTA4H	27	45
CN(C)CCCOc1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852057102	ED	On-Demand	Anodyne	ESRRG	43	31
Nc1n[nH]c(C2CCN(Cc3ccc4nonc4c3)CC2)n1	ZINC000852057105	CD	On-Demand	Anodyne	SSTR5	41	32
O=C(NCC1=CCCC1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852057108	EE	On-Demand	Reactive	DRD4	40	31
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	ZINC000852057121	FF	On-Demand	Reactive	DRD4	40	30
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)C1	ZINC000852057122	FF	On-Demand	Reactive	DRD4	40	30
N#CCOc1ccc(CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852057125	DD	On-Demand	Mild	SIGMAR1	15	43
O=C(NCCC1SCCS1)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852057131	GE	On-Demand	Reactive	DRD4	41	31
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)O1	ZINC000852057132	FE	On-Demand	Reactive	DRD4	40	30
Nc1n[nH]c(C2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)n1	ZINC000852057138	DD	On-Demand	Anodyne	PRCP	18	40
Nc1n[nH]c(C2CCN(CC(=O)Nc3cccnc3Cl)CC2)n1	ZINC000852057141	ED	On-Demand	Anodyne	DRD4	15	48
Nc1n[nH]c(C2CCN(CC(=O)Nc3cccnc3Cl)CC2)n1	ZINC000852057141	ED	On-Demand	Anodyne	PRCP	45	37
Nc1n[nH]c(C2CCN(CC(=O)Nc3cccnc3Cl)CC2)n1	ZINC000852057141	ED	On-Demand	Anodyne	G2YM83_BOTF4	50	32
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852057158	GE	On-Demand	Reactive	DRD4	40	31
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852057173	GF	On-Demand	Reactive	DRD3	29	40
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852057173	GF	On-Demand	Reactive	CCR3	26	41
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852057173	GF	On-Demand	Reactive	CACNA1I	50	38
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852057174	GF	On-Demand	Reactive	DRD3	29	40
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852057174	GF	On-Demand	Reactive	CCR3	26	41
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852057174	GF	On-Demand	Reactive	CACNA1I	50	38
Nc1n[nH]c(C2CCN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC2)n1	ZINC000852057185	FE	On-Demand	Anodyne	LUCI_PHOPY	59	43
Nc1n[nH]c(C2CCN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC2)n1	ZINC000852057187	FE	On-Demand	Anodyne	LUCI_PHOPY	59	43
N#Cc1ccc(OCCCN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852057190	ED	On-Demand	Mild	DRD2	15	43
N#Cc1ccc(OCCCN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852057190	ED	On-Demand	Mild	LTA4H	28	41
N#Cc1ccc(OCCCN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852057190	ED	On-Demand	Mild	HRH3	80	48
N#Cc1ccc(OCCCN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852057190	ED	On-Demand	Mild	MEN1	59	49
N#Cc1cccc(C(=O)NNC(=O)N2CCC(c3ccon3)CC2)c1	ZINC000852057226	ED	On-Demand	Reactive	SMO	32	41
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(c3nc(N)n[nH]3)CC2)CC1	ZINC000852057227	GC	On-Demand	Anodyne	P2RY12	52	37
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(c3nc(N)n[nH]3)CC2)CC1	ZINC000852057229	GC	On-Demand	Anodyne	P2RY12	52	37
COc1cccc([C@]2(C)CCN(C(=O)NCCCNC(=O)OC(C)(C)C)C2)c1	ZINC000852057238	GG	On-Demand	Anodyne	DRD4	44	34
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852057274	GG	On-Demand	Anodyne	FPR1	43	35
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852057275	GG	On-Demand	Anodyne	FPR1	43	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCCNC(=O)OC(C)(C)C)C1	ZINC000852057276	GF	On-Demand	Anodyne	SFRP1	72	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCCNC(=O)OC(C)(C)C)C1	ZINC000852057276	GF	On-Demand	Anodyne	WNT3	55	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCCNC(=O)OC(C)(C)C)C1	ZINC000852057277	GF	On-Demand	Anodyne	SFRP1	72	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCCNC(=O)OC(C)(C)C)C1	ZINC000852057277	GF	On-Demand	Anodyne	WNT3	55	36
N#Cc1cccc(C(=O)NNC(=O)N2CCN([C@H]3CCOC3)CC2)c1	ZINC000852057278	EC	On-Demand	Reactive	HRH3	18	42
N#Cc1cccc(C(=O)NNC(=O)N2CCN([C@@H]3CCOC3)CC2)c1	ZINC000852057279	EC	On-Demand	Reactive	HRH3	18	42
C[C@@]1(CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1(F)F	ZINC000852057295	EE	On-Demand	Reactive	DRD4	41	31
CC[C@@H](C)CCNC(=O)NNC(=O)c1cccc(OC(F)F)c1	ZINC000852057297	EF	On-Demand	Reactive	DRD4	41	31
CCSC1(CNC(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1	ZINC000852057299	FF	On-Demand	Reactive	DRD4	40	32
Nc1n[nH]c(C2CCN(CC[C@H](O)c3ccccc3)CC2)n1	ZINC000852057306	DD	On-Demand	Anodyne	SLC6A3	21	50
Nc1n[nH]c(C2CCN(CC[C@H](O)c3ccccc3)CC2)n1	ZINC000852057306	DD	On-Demand	Anodyne	GRIN2B	21	40
Nc1n[nH]c(C2CCN(CC[C@H](O)c3ccccc3)CC2)n1	ZINC000852057306	DD	On-Demand	Anodyne	CCR5	49	39
Nc1n[nH]c(C2CCN(CC[C@@H](O)c3ccccc3)CC2)n1	ZINC000852057307	DD	On-Demand	Anodyne	SLC6A3	21	50
Nc1n[nH]c(C2CCN(CC[C@@H](O)c3ccccc3)CC2)n1	ZINC000852057307	DD	On-Demand	Anodyne	GRIN2B	21	40
Nc1n[nH]c(C2CCN(CC[C@@H](O)c3ccccc3)CC2)n1	ZINC000852057307	DD	On-Demand	Anodyne	CCR5	49	39
O=C(NCCNc1ccc(C(F)(F)F)cn1)NCC1CCN(CC2CC2)CC1	ZINC000852057310	GF	On-Demand	Anodyne	CACNA1I	58	42
O=C(NCCNc1ccc(C(F)(F)F)cn1)NCC1CCN(CC2CC2)CC1	ZINC000852057310	GF	On-Demand	Anodyne	LIPG	27	40
Nc1n[nH]c(C2CCN(Cc3cccc(SC(F)(F)F)c3)CC2)n1	ZINC000852057318	FG	On-Demand	Anodyne	DRD4	15	40
Nc1n[nH]c(C2CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC2)n1	ZINC000852057319	GF	On-Demand	Anodyne	GRIN2B	69	52
Nc1n[nH]c(C2CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC2)n1	ZINC000852057319	GF	On-Demand	Anodyne	PREP	26	41
Nc1n[nH]c(C2CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC2)n1	ZINC000852057319	GF	On-Demand	Anodyne	TGM2	22	41
Nc1n[nH]c(C2CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC2)n1	ZINC000852057319	GF	On-Demand	Anodyne	F13A1	33	41
CNS(=O)(=O)c1ccc(CN2CC[C@@]3(CCc4ccccc4O3)C2)cc1	ZINC000852057339	FF	On-Demand	Anodyne	SIGMAR1	19	57
CNS(=O)(=O)c1ccc(CN2CC[C@]3(CCc4ccccc4O3)C2)cc1	ZINC000852057340	FF	On-Demand	Anodyne	SIGMAR1	19	57
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC(F)F)CC1	ZINC000852057359	EE	On-Demand	Reactive	F10	18	40
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC(F)F)CC1	ZINC000852057359	EE	On-Demand	Reactive	EPHX2	32	41
O=C(NNc1ccc(Cl)cn1)NC1CCN(CC(F)F)CC1	ZINC000852057359	EE	On-Demand	Reactive	MCHR1	17	40
Nc1n[nH]c(C2CCN(Cc3cccc(C(=O)C(F)(F)F)c3)CC2)n1	ZINC000852057403	FF	On-Demand	Anodyne	ACHE	26	42
Nc1n[nH]c(C2CCN(Cc3cccc(C(=O)C(F)(F)F)c3)CC2)n1	ZINC000852057403	FF	On-Demand	Anodyne	CCR3	16	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCCNC(=O)OC(C)(C)C	ZINC000852057428	FF	On-Demand	Anodyne	DRD2	19	49
CC(C)(C)OC(=O)NCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852057439	FG	On-Demand	Anodyne	ADRA1A	46	37
CC(C)(C)OC(=O)NCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852057440	FG	On-Demand	Anodyne	ADRA1A	46	37
CC(C)(C)OC(=O)NCCCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852057449	FF	On-Demand	Anodyne	ACACB	15	42
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852057450	FD	On-Demand	Reactive	DRD2	17	43
N#Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852057450	FD	On-Demand	Reactive	CCR3	24	42
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852057451	FD	On-Demand	Reactive	DRD2	17	43
N#Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852057451	FD	On-Demand	Reactive	CCR3	24	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(C#N)c3)C2)cc1	ZINC000852057457	GD	On-Demand	Reactive	DRD4	46	38
Nc1n[nH]c(C2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)n1	ZINC000852057477	DD	On-Demand	Anodyne	SLC6A3	22	44
Nc1n[nH]c(C2CCN(C[C@H](O)c3ccc(F)cc3)CC2)n1	ZINC000852057478	DD	On-Demand	Anodyne	SLC6A3	22	44
COC(=O)N(C)CCNC(=O)NC1CCN(CC(F)F)CC1	ZINC000852057519	DC	On-Demand	Anodyne	EPHX2	19	41
O=C(NC1CCN(CC(F)F)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852057525	DD	On-Demand	Anodyne	EPHX2	15	43
O=C(NC1CCN(CC(F)F)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852057526	DD	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1ncccn1)NC1CCN(CC(F)F)CC1	ZINC000852057556	CD	On-Demand	Anodyne	EPHX2	37	41
Cn1ncc(C2CCC2)c1CNC(=O)NCCCNC(=O)OC(C)(C)C	ZINC000852057576	FE	On-Demand	Anodyne	TBK1	49	36
O=C(NCc1ccc(N2CCCNC2=O)cc1)NC1CCN(CC(F)F)CC1	ZINC000852057581	GE	On-Demand	Anodyne	CCR3	20	40
COCCSc1ccc([C@H](C)NC(=O)N(C)CCN(C)C(=O)OC)cc1	ZINC000852057594	GF	On-Demand	Anodyne	ACACA	17	41
COCCSc1ccc([C@@H](C)NC(=O)N(C)CCN(C)C(=O)OC)cc1	ZINC000852057596	GF	On-Demand	Anodyne	ACACA	17	41
N#Cc1cccc(C(=O)NNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852057613	GD	On-Demand	Reactive	MCHR1	19	44
CC(C)(C)OC(=O)NCCCNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852057616	GE	On-Demand	Anodyne	CACNA1I	42	34
Nc1n[nH]c(C2CCN(Cc3cc4ccccc4nc3Cl)CC2)n1	ZINC000852057618	EF	On-Demand	Anodyne	DRD4	18	44
COc1cccc(OC)c1OC[C@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057636	GD	On-Demand	Anodyne	ADRB2	15	48
COc1cccc(OC)c1OC[C@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057636	GD	On-Demand	Anodyne	ADRB1	15	44
COc1cccc(OC)c1OC[C@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057636	GD	On-Demand	Anodyne	HTR1A	16	49
COc1cccc(OC)c1OC[C@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057636	GD	On-Demand	Anodyne	SLC6A4	15	40
COc1cccc(OC)c1OC[C@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057636	GD	On-Demand	Anodyne	ACOX1	72	35
COc1cccc(OC)c1OC[C@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057636	GD	On-Demand	Anodyne	ABCB1	70	39
COc1cccc(OC)c1OC[C@@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057638	GD	On-Demand	Anodyne	ADRB2	15	48
COc1cccc(OC)c1OC[C@@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057638	GD	On-Demand	Anodyne	ADRB1	15	44
COc1cccc(OC)c1OC[C@@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057638	GD	On-Demand	Anodyne	HTR1A	16	49
COc1cccc(OC)c1OC[C@@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057638	GD	On-Demand	Anodyne	SLC6A4	15	40
COc1cccc(OC)c1OC[C@@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057638	GD	On-Demand	Anodyne	ACOX1	72	35
COc1cccc(OC)c1OC[C@@H](O)CN1CCC(c2nc(N)n[nH]2)CC1	ZINC000852057638	GD	On-Demand	Anodyne	ABCB1	70	39
Nc1n[nH]c(C2CCN(Cc3cscn3)CC2)n1	ZINC000852057675	CD	On-Demand	Anodyne	SCN5A	43	35
Nc1n[nH]c(C2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)n1	ZINC000852057689	FE	On-Demand	Anodyne	ACOX1	99	45
Nc1n[nH]c(C2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)n1	ZINC000852057689	FE	On-Demand	Anodyne	ABCB1	69	40
Nc1n[nH]c(C2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)n1	ZINC000852057690	FE	On-Demand	Anodyne	ACOX1	99	45
Nc1n[nH]c(C2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)n1	ZINC000852057690	FE	On-Demand	Anodyne	ABCB1	69	40
CC(C)(C)OC(=O)NCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852057717	FF	On-Demand	Anodyne	NQO2	31	51
CC(C)(C)OC(=O)NCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852057717	FF	On-Demand	Anodyne	MTNR1A	47	45
CC(C)(C)OC(=O)NCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852057717	FF	On-Demand	Anodyne	MTNR1B	35	45
CC(C)(C)OC(=O)NCCCNC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852057718	FE	On-Demand	Anodyne	PAPA1_CARPA	28	40
CC(C)(C)OC(=O)NCCCNC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852057719	FE	On-Demand	Anodyne	PAPA1_CARPA	28	40
N#Cc1cccc(C(=O)NNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852057741	EE	On-Demand	Reactive	CCR3	15	40
N#Cc1cccc(C(=O)NNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852057741	EE	On-Demand	Reactive	L3MBTL3	40	38
COC(=O)c1ccc(CNC(=O)NCCCNC(=O)OC(C)(C)C)c(F)c1	ZINC000852057743	GE	On-Demand	Anodyne	BDKRB1	26	40
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3cccc(C#N)c3)C2)c1	ZINC000852057747	GF	On-Demand	Reactive	DRD4	47	36
C[C@@H]1CCN(C(=O)NC2CC(c3ccccc3)C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852057773	GG	On-Demand	Anodyne	EPHX2	32	41
C[C@@H]1CCN(C(=O)NC2CC(c3ccccc3)C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852057773	GG	On-Demand	Anodyne	RBP4	66	35
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852057780	GE	On-Demand	Anodyne	DRD2	19	43
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852057780	GE	On-Demand	Anodyne	ACHE	22	40
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852057780	GE	On-Demand	Anodyne	HRH2	24	42
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852057780	GE	On-Demand	Anodyne	SIGMAR1	25	46
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852057780	GE	On-Demand	Anodyne	CCR3	18	40
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852057782	GE	On-Demand	Anodyne	DRD2	19	43
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852057782	GE	On-Demand	Anodyne	ACHE	22	40
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852057782	GE	On-Demand	Anodyne	HRH2	24	42
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852057782	GE	On-Demand	Anodyne	SIGMAR1	25	46
CC(C)(C)OC(=O)NCCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852057782	GE	On-Demand	Anodyne	CCR3	18	40
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852057816	FD	On-Demand	Reactive	CCR2	24	41
N#Cc1cccc(C(=O)NNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852057816	FD	On-Demand	Reactive	SLC6A5	17	41
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852057818	FD	On-Demand	Reactive	CCR2	24	41
N#Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852057818	FD	On-Demand	Reactive	SLC6A5	17	41
Nc1n[nH]c(C2CCN(CCOc3cccc(F)c3)CC2)n1	ZINC000852057831	DD	On-Demand	Anodyne	HTR1A	17	52
Nc1n[nH]c(C2CCN(CCOc3cccc(F)c3)CC2)n1	ZINC000852057831	DD	On-Demand	Anodyne	DRD2	29	52
Nc1n[nH]c(C2CCN(CCOc3cccc(F)c3)CC2)n1	ZINC000852057831	DD	On-Demand	Anodyne	LTA4H	40	42
Nc1n[nH]c(C2CCN(CCOc3cccc(F)c3)CC2)n1	ZINC000852057831	DD	On-Demand	Anodyne	HRH3	20	40
Nc1n[nH]c(C2CCN(CCOc3cccc(F)c3)CC2)n1	ZINC000852057831	DD	On-Demand	Anodyne	CPT1A	23	43
Nc1n[nH]c(C2CCN(CCOc3cccc(F)c3)CC2)n1	ZINC000852057831	DD	On-Demand	Anodyne	CHRNA10	38	41
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852057853	GD	On-Demand	Reactive	HRH3	23	43
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852057853	GD	On-Demand	Reactive	CCR3	27	40
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852057853	GD	On-Demand	Reactive	CACNA1I	55	39
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852057860	GD	On-Demand	Reactive	DRD4	29	42
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852057860	GD	On-Demand	Reactive	ACHE	35	46
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852057860	GD	On-Demand	Reactive	SIGMAR1	27	42
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852057860	GD	On-Demand	Reactive	SSTR5	45	35
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852057860	GD	On-Demand	Reactive	CCR3	50	49
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852057860	GD	On-Demand	Reactive	MCHR1	37	43
N#Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852057860	GD	On-Demand	Reactive	CACNA1I	65	42
N#Cc1cccc(C(=O)NNC(=O)NCCCC2CCC2)c1	ZINC000852057861	DE	On-Demand	Reactive	CCR3	26	44
COc1ccc([C@@H]2CCCN2C(=O)NCCCNC(=O)OC(C)(C)C)cc1F	ZINC000852057883	GH	On-Demand	Anodyne	DRD2	16	43
COc1ccc([C@@H]2CCCN2C(=O)NCCCNC(=O)OC(C)(C)C)cc1F	ZINC000852057883	GH	On-Demand	Anodyne	ADRA1A	45	38
O=C(CN1CC[C@]2(CCc3ccccc3O2)C1)Nc1cnccn1	ZINC000852057887	DD	On-Demand	Anodyne	SCD1	18	43
O=C(CN1CC[C@@]2(CCc3ccccc3O2)C1)Nc1cnccn1	ZINC000852057888	DD	On-Demand	Anodyne	SCD1	18	43
O=C(NC1CC(c2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852057906	EF	On-Demand	Anodyne	EPHX2	25	43
O=C(NC1CC(c2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852057906	EF	On-Demand	Anodyne	SMO	25	41
Fc1ccc2c(C3CCN(Cc4cccc(F)n4)CC3)noc2c1	ZINC000852057907	EH	On-Demand	Anodyne	DRD2	21	64
Fc1ccc2c(C3CCN(Cc4cccc(F)n4)CC3)noc2c1	ZINC000852057907	EH	On-Demand	Anodyne	HTR2A	32	57
Fc1ccc2c(C3CCN(Cc4cccc(F)n4)CC3)noc2c1	ZINC000852057907	EH	On-Demand	Anodyne	HTR7	31	56
Fc1ccc2c(C3CCN(CC(F)(F)Br)CC3)noc2c1	ZINC000852057913	FI	On-Demand	Anodyne	DRD2	20	69
Fc1ccc2c(C3CCN(CC(F)(F)Br)CC3)noc2c1	ZINC000852057913	FI	On-Demand	Anodyne	HTR2A	33	57
Fc1ccc2c(C3CCN(CC(F)(F)Br)CC3)noc2c1	ZINC000852057913	FI	On-Demand	Anodyne	HTR7	31	52
CC(C)(C)OC(=O)NCCCNC(=O)NCCc1ccc(C#N)cc1	ZINC000852057938	EE	On-Demand	Mild	CTRB_BOVIN	46	37
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)OC(C)(C)C)C1	ZINC000852057942	DD	On-Demand	Anodyne	EPHX2	15	42
NC(=O)[C@](O)(CN1CCC(c2nc(N)n[nH]2)CC1)c1ccccc1	ZINC000852058032	EB	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CCC(c2nc(N)n[nH]2)CC1)c1ccccc1	ZINC000852058033	EB	On-Demand	Anodyne	CYP2J2	44	31
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCCCCC#N)C2)CC1	ZINC000852058052	GH	On-Demand	Mild	GPR119	28	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCCCCC#N)C2)CC1	ZINC000852058053	GH	On-Demand	Mild	GPR119	28	41
O=C(Cc1cccnc1)NNC(=O)NCCc1ccc(C2CCCCC2)cc1	ZINC000852058102	GG	On-Demand	Reactive	ADRB3	27	43
O=C(Cc1cccnc1)NNC(=O)NCCc1ccc(C2CCCCC2)cc1	ZINC000852058102	GG	On-Demand	Reactive	TBXAS1	20	42
O=C(Cc1cccnc1)NNC(=O)NCCc1ccc(C2CCCCC2)cc1	ZINC000852058102	GG	On-Demand	Reactive	CHRNA7	38	40
O=C(Cc1cccnc1)NNC(=O)NCCc1ccc(C2CCCCC2)cc1	ZINC000852058102	GG	On-Demand	Reactive	NAMPT	43	46
O[C@H](CCN1CC[C@H]1C(F)(F)F)c1ccccc1	ZINC000852058110	CF	On-Demand	Anodyne	SLC6A3	18	49
O[C@@H](CCN1CC[C@@H]1C(F)(F)F)c1ccccc1	ZINC000852058111	CF	On-Demand	Anodyne	SLC6A3	18	49
O[C@@H](CCN1CC[C@H]1C(F)(F)F)c1ccccc1	ZINC000852058113	CF	On-Demand	Anodyne	SLC6A3	18	49
O[C@H](CCN1CC[C@@H]1C(F)(F)F)c1ccccc1	ZINC000852058115	CF	On-Demand	Anodyne	SLC6A3	18	49
O=C(Cc1cccnc1)NNC(=O)N1CCC(c2ccco2)CC1	ZINC000852058121	ED	On-Demand	Reactive	GRIN2B	15	42
O=C(Cc1cccnc1)NNC(=O)N1CCC(c2ccco2)CC1	ZINC000852058121	ED	On-Demand	Reactive	CHRNA7	46	38
O=C(Cc1cccnc1)NNC(=O)N1CCC(c2ccco2)CC1	ZINC000852058121	ED	On-Demand	Reactive	C3AR1	40	38
C[C@@]1(CNC(=O)NNC(=O)Cc2cccnc2)CC1(F)F	ZINC000852058137	CC	On-Demand	Reactive	NAMPT	44	38
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852058172	FG	On-Demand	Anodyne	SCD	25	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852058176	FG	On-Demand	Anodyne	SCD	25	40
CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@H]2C(F)(F)F)C1	ZINC000852058178	DF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@H]2C(F)(F)F)C1	ZINC000852058179	DF	On-Demand	Anodyne	GPR119	30	41
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852058180	FG	On-Demand	Anodyne	SCD	25	40
CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@H]2C(F)(F)F)C1	ZINC000852058181	DF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@@H]2C(F)(F)F)C1	ZINC000852058182	DF	On-Demand	Anodyne	GPR119	30	41
CCOP(=O)(OCC)[C@H](O)CN1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852058184	FG	On-Demand	Anodyne	SCD	25	40
O=C(NCc1ncccn1)NC1CC(c2ccccc2)C1	ZINC000852058202	CE	On-Demand	Anodyne	EPHX2	20	42
CC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)C1CC1	ZINC000852058215	CD	On-Demand	Reactive	PTAFR	19	40
CC[C@@H](NC(=O)NNC(=O)Cc1cccnc1)C1CC1	ZINC000852058215	CD	On-Demand	Reactive	CHRNA7	40	37
CN1CCO[C@@H](CNC(=O)NNC(=O)Cc2cccnc2)[C@@H]1c1cnn(C)c1	ZINC000852058219	GB	On-Demand	Reactive	NAMPT	49	39
O=C(Cc1cccnc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852058239	DD	On-Demand	Reactive	GRIN2B	21	48
O=C(Cc1cccnc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852058239	DD	On-Demand	Reactive	CHRNA7	62	44
O=C(Cc1cccnc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852058239	DD	On-Demand	Reactive	C3AR1	45	44
O=C(Cc1cccnc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852058239	DD	On-Demand	Reactive	ACHP_LYMST	29	43
O=C(Cc1cccnc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852058239	DD	On-Demand	Reactive	NAMPT	57	41
O[C@H](CN1CC[C@@H](c2ccncc2)C1)c1ccccn1	ZINC000852058253	CD	On-Demand	Anodyne	SLC18A3	21	43
O[C@H](CN1CC[C@H](c2ccncc2)C1)c1ccccn1	ZINC000852058254	CD	On-Demand	Anodyne	SLC18A3	21	43
O[C@@H](CN1CC[C@H](c2ccncc2)C1)c1ccccn1	ZINC000852058256	CD	On-Demand	Anodyne	SLC18A3	21	43
O[C@@H](CN1CC[C@@H](c2ccncc2)C1)c1ccccn1	ZINC000852058257	CD	On-Demand	Anodyne	SLC18A3	21	43
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852058279	DD	On-Demand	Reactive	GRIN2B	17	42
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852058279	DD	On-Demand	Reactive	BMP1	19	41
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852058279	DD	On-Demand	Reactive	CHRNA7	47	38
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852058279	DD	On-Demand	Reactive	C3AR1	41	38
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852058279	DD	On-Demand	Reactive	NAMPT	40	38
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852058280	DD	On-Demand	Reactive	GRIN2B	17	42
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852058280	DD	On-Demand	Reactive	BMP1	19	41
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852058280	DD	On-Demand	Reactive	CHRNA7	47	38
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852058280	DD	On-Demand	Reactive	C3AR1	41	38
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852058280	DD	On-Demand	Reactive	NAMPT	40	38
C[C@H]1CC(CNC(=O)NNC(=O)Cc2cccnc2)C[C@H](C)C1	ZINC000852058288	DE	On-Demand	Reactive	NAMPT	56	38
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852058289	DE	On-Demand	Reactive	NAMPT	56	38
C[C@@H]1CC(CNC(=O)NNC(=O)Cc2cccnc2)C[C@@H](C)C1	ZINC000852058290	DE	On-Demand	Reactive	NAMPT	56	38
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852058294	ED	On-Demand	Reactive	CHRNA7	41	41
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852058294	ED	On-Demand	Reactive	EPHX2	26	43
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852058294	ED	On-Demand	Reactive	ACHP_LYMST	20	41
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852058294	ED	On-Demand	Reactive	NAMPT	33	41
CO[C@@H]1CC[C@@H](N2CCC(c3noc4cc(F)ccc34)CC2)C1	ZINC000852058331	DH	On-Demand	Anodyne	DRD2	17	57
CO[C@@H]1CC[C@@H](N2CCC(c3noc4cc(F)ccc34)CC2)C1	ZINC000852058331	DH	On-Demand	Anodyne	HTR2A	28	48
CO[C@@H]1CC[C@@H](N2CCC(c3noc4cc(F)ccc34)CC2)C1	ZINC000852058331	DH	On-Demand	Anodyne	HTR7	26	44
CN1CC[C@H](NCC(=O)Nc2ccc(Cl)nc2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000852058332	GH	On-Demand	Anodyne	IKBKB	45	33
CN1CC[C@H](NCC(=O)Nc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000852058334	GH	On-Demand	Anodyne	IKBKB	45	33
O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852058337	ED	On-Demand	Reactive	SIGMAR1	15	41
O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852058337	ED	On-Demand	Reactive	CHRNA7	51	41
O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852058337	ED	On-Demand	Reactive	C3AR1	46	45
O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852058337	ED	On-Demand	Reactive	SLC6A5	19	41
O=C(Cc1cccnc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852058337	ED	On-Demand	Reactive	ACHP_LYMST	25	41
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852058338	ED	On-Demand	Reactive	SIGMAR1	15	41
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852058338	ED	On-Demand	Reactive	CHRNA7	51	41
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852058338	ED	On-Demand	Reactive	C3AR1	46	45
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852058338	ED	On-Demand	Reactive	SLC6A5	19	41
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852058338	ED	On-Demand	Reactive	ACHP_LYMST	25	41
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CC[C@H]2C(F)(F)F)C1	ZINC000852058353	DG	On-Demand	Anodyne	GPR119	29	44
O[C@@H](CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccn1	ZINC000852058364	EG	On-Demand	Anodyne	DRD2	20	58
O[C@@H](CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccn1	ZINC000852058364	EG	On-Demand	Anodyne	HTR2A	31	52
O[C@@H](CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccn1	ZINC000852058364	EG	On-Demand	Anodyne	HTR7	29	49
O[C@H](CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccn1	ZINC000852058365	EG	On-Demand	Anodyne	DRD2	20	58
O[C@H](CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccn1	ZINC000852058365	EG	On-Demand	Anodyne	HTR2A	31	52
O[C@H](CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccn1	ZINC000852058365	EG	On-Demand	Anodyne	HTR7	29	49
NC(=O)[C@](O)(CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccc1	ZINC000852058370	GF	On-Demand	Anodyne	DRD2	22	57
NC(=O)[C@](O)(CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccc1	ZINC000852058370	GF	On-Demand	Anodyne	HTR2A	33	54
NC(=O)[C@](O)(CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccc1	ZINC000852058370	GF	On-Demand	Anodyne	HTR7	30	51
NC(=O)[C@@](O)(CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccc1	ZINC000852058371	GF	On-Demand	Anodyne	DRD2	22	57
NC(=O)[C@@](O)(CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccc1	ZINC000852058371	GF	On-Demand	Anodyne	HTR2A	33	54
NC(=O)[C@@](O)(CN1CCC(c2noc3cc(F)ccc23)CC1)c1ccccc1	ZINC000852058371	GF	On-Demand	Anodyne	HTR7	30	51
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC[C@@H]2C(F)(F)F)C1	ZINC000852058382	DG	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC[C@H]2C(F)(F)F)C1	ZINC000852058383	DG	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CC[C@@H]2C(F)(F)F)C1	ZINC000852058384	DG	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058392	DC	On-Demand	Reactive	GRIN2B	16	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058392	DC	On-Demand	Reactive	CHRNA7	48	37
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058392	DC	On-Demand	Reactive	NAMPT	42	38
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058393	DC	On-Demand	Reactive	GRIN2B	16	41
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058393	DC	On-Demand	Reactive	CHRNA7	48	37
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058393	DC	On-Demand	Reactive	NAMPT	42	38
COC(=O)N(C)CCNC(=O)NC1CCN(C2CCN(C)CC2)CC1	ZINC000852058419	FC	On-Demand	Anodyne	SLC6A5	20	42
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC(F)F)CC1	ZINC000852058432	GF	On-Demand	Anodyne	DRD4	21	45
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC(F)F)CC1	ZINC000852058432	GF	On-Demand	Anodyne	SIGMAR1	17	48
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(CC(F)F)CC1	ZINC000852058432	GF	On-Demand	Anodyne	EPHX2	27	40
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC(F)F)CC1	ZINC000852058433	GF	On-Demand	Anodyne	DRD4	21	45
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC(F)F)CC1	ZINC000852058433	GF	On-Demand	Anodyne	SIGMAR1	17	48
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(CC(F)F)CC1	ZINC000852058433	GF	On-Demand	Anodyne	EPHX2	27	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CC(c2ccccc2)C1	ZINC000852058434	GG	On-Demand	Clean	SLC18A3	43	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CC(c2ccccc2)C1	ZINC000852058434	GG	On-Demand	Clean	EPHX2	23	50
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CC(c2ccccc2)C1	ZINC000852058434	GG	On-Demand	Clean	SLC12A5	60	32
FC(F)(F)[C@@H]1CCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852058450	DG	On-Demand	Anodyne	LUCI_PHOPY	83	50
FC(F)(F)[C@H]1CCN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852058453	DG	On-Demand	Anodyne	LUCI_PHOPY	83	50
FC(F)(F)[C@H]1CCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852058455	DG	On-Demand	Anodyne	LUCI_PHOPY	83	50
FC(F)(F)[C@@H]1CCN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852058456	DG	On-Demand	Anodyne	LUCI_PHOPY	83	50
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852058458	EB	On-Demand	Reactive	CHRNA7	42	35
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852058460	EB	On-Demand	Reactive	CHRNA7	42	35
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCN1S(C)(=O)=O	ZINC000852058469	FB	On-Demand	Reactive	CHRNA7	45	35
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCN1S(C)(=O)=O	ZINC000852058469	FB	On-Demand	Reactive	MMP7	15	48
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)CCN1S(C)(=O)=O	ZINC000852058469	FB	On-Demand	Reactive	NAMPT	59	44
O[C@@H]1CCC[C@H]1N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852058482	CE	On-Demand	Anodyne	SLC18A3	45	50
O[C@@H]1CCC[C@H]1N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852058483	CE	On-Demand	Anodyne	SLC18A3	45	50
O=C(CN1CC[C@@H](c2ccncc2)C1)Nc1ccc(Cl)nc1	ZINC000852058501	DF	On-Demand	Anodyne	PRCP	24	40
O=C(CN1CC[C@H](c2ccncc2)C1)Nc1ccc(Cl)nc1	ZINC000852058503	DF	On-Demand	Anodyne	PRCP	24	40
O=C(CN1CC[C@@H]1C(F)(F)F)NOCc1ccccc1	ZINC000852058533	CD	On-Demand	Anodyne	SLC12A5	40	34
O=C(CN1CC[C@H]1C(F)(F)F)NOCc1ccccc1	ZINC000852058535	CD	On-Demand	Anodyne	SLC12A5	40	34
CC(C)c1ccc2c(c1)CN(C(=O)NNC(=O)Cc1cccnc1)CC2	ZINC000852058559	FF	On-Demand	Reactive	MAPK1	48	35
Fc1ccc2c(C3CCN(CCn4cnc(Br)n4)CC3)noc2c1	ZINC000852058595	GG	On-Demand	Anodyne	DRD2	23	67
Fc1ccc2c(C3CCN(CCn4cnc(Br)n4)CC3)noc2c1	ZINC000852058595	GG	On-Demand	Anodyne	HTR2A	33	54
Fc1ccc2c(C3CCN(CCn4cnc(Br)n4)CC3)noc2c1	ZINC000852058595	GG	On-Demand	Anodyne	HTR7	31	51
CC(C)(C)OC(=O)N1CCC(CCCN2CCC(c3nc(N)n[nH]3)CC2)CC1	ZINC000852058610	GF	On-Demand	Anodyne	GPR119	30	40
C=CCCNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058627	BC	On-Demand	Reactive	NAMPT	41	38
CN1CC[C@H](NCC(=O)Nc2ccc(Cl)nc2)[C@H]1c1ccc(Cl)cc1	ZINC000852058634	GG	On-Demand	Anodyne	SLC6A3	16	40
CN1CC[C@H](NCC(=O)Nc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)cc1	ZINC000852058636	GG	On-Demand	Anodyne	SLC6A3	16	40
NC(=O)[C@@](O)(CN1CC[C@H]1C(F)(F)F)c1ccccc1	ZINC000852058656	CC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H]1C(F)(F)F)c1ccccc1	ZINC000852058657	CC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@@H]1C(F)(F)F)c1ccccc1	ZINC000852058658	CC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@@H]1C(F)(F)F)c1ccccc1	ZINC000852058659	CC	On-Demand	Anodyne	CYP2J2	44	31
O=C(Cc1cccnc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852058661	CC	On-Demand	Reactive	C3AR1	41	39
O=C(Cc1cccnc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852058662	CC	On-Demand	Reactive	C3AR1	41	39
CO[C@@H](C)CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058720	CB	On-Demand	Reactive	KCNA5	20	41
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058721	EC	On-Demand	Reactive	NAMPT	55	40
Cc1ccncc1CCNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058737	DC	On-Demand	Reactive	PTAFR	19	43
Cc1ccncc1CCNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058737	DC	On-Demand	Reactive	KCNA5	16	42
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@@H]2C(F)(F)F)CC1	ZINC000852058738	EH	On-Demand	Anodyne	GPR119	37	48
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@H]2C(F)(F)F)CC1	ZINC000852058739	EH	On-Demand	Anodyne	GPR119	37	48
O=C(Cc1cccnc1)NNC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852058740	EB	On-Demand	Reactive	CHRNA7	47	38
O=C(Cc1cccnc1)NNC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852058740	EB	On-Demand	Reactive	NAMPT	38	40
O=C(Cc1cccnc1)NNC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852058741	EB	On-Demand	Reactive	CHRNA7	47	38
O=C(Cc1cccnc1)NNC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852058741	EB	On-Demand	Reactive	NAMPT	38	40
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852058742	GE	On-Demand	Reactive	CHRNA7	42	36
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852058742	GE	On-Demand	Reactive	NAMPT	54	41
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852058743	GE	On-Demand	Reactive	CHRNA7	42	36
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852058743	GE	On-Demand	Reactive	NAMPT	54	41
O[C@@H](CN1CC[C@H]1C(F)(F)F)c1ccccc1Cl	ZINC000852058748	CG	On-Demand	Anodyne	OPRL1	42	40
O[C@@H](CN1CC[C@@H]1C(F)(F)F)c1ccccc1Cl	ZINC000852058749	CG	On-Demand	Anodyne	OPRL1	42	40
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852058756	EB	On-Demand	Reactive	CHRNA7	55	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852058756	EB	On-Demand	Reactive	NAMPT	40	36
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852058757	EB	On-Demand	Reactive	CHRNA7	55	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852058757	EB	On-Demand	Reactive	NAMPT	40	36
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852058758	EB	On-Demand	Reactive	CHRNA7	55	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852058758	EB	On-Demand	Reactive	NAMPT	40	36
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852058759	EB	On-Demand	Reactive	CHRNA7	55	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852058759	EB	On-Demand	Reactive	NAMPT	40	36
O[C@H](CN1CC[C@@H]1C(F)(F)F)c1ccccc1	ZINC000852058778	BE	On-Demand	Anodyne	SLC6A3	15	49
O[C@H](CN1CC[C@H]1C(F)(F)F)c1ccccc1	ZINC000852058779	BE	On-Demand	Anodyne	SLC6A3	15	49
O=C(Cc1ccccc1)OCCN1CC[C@@H]1C(F)(F)F	ZINC000852058781	CE	On-Demand	Anodyne	GBA2	52	33
O=C(Cc1ccccc1)OCCN1CC[C@H]1C(F)(F)F	ZINC000852058782	CE	On-Demand	Anodyne	GBA2	52	33
O=C(Cc1cccnc1)NNC(=O)N(Cc1ccccc1F)CC1CC1	ZINC000852058810	FE	On-Demand	Reactive	NAMPT	18	42
CN1CCC(N2CCC(NC(=O)NC[C@]34OCCC[C@H]3C4(F)F)CC2)CC1	ZINC000852058833	GD	On-Demand	Anodyne	SLC6A5	15	40
O=C(Cc1cccnc1)NNC(=O)NCc1cccc(OC2CC2)c1F	ZINC000852058841	FD	On-Demand	Reactive	SCD	16	40
O=C(Cc1cccnc1)NNC(=O)NCc1cccc(OC2CC2)c1F	ZINC000852058841	FD	On-Demand	Reactive	NAMPT	46	37
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@H](c3ccncc3)C2)C1	ZINC000852058859	EF	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@@H](c3ccncc3)C2)C1	ZINC000852058860	EF	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@H](c3ccncc3)C2)C1	ZINC000852058861	EF	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@@H](c3ccncc3)C2)C1	ZINC000852058862	EF	On-Demand	Anodyne	GPR119	35	41
COC(=O)c1ccc(OC[C@@H](O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852058881	GC	On-Demand	Anodyne	ADRB2	19	41
COC(=O)c1ccc(OC[C@@H](O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852058881	GC	On-Demand	Anodyne	ADRB1	26	41
COC(=O)c1ccc(OC[C@@H](O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852058881	GC	On-Demand	Anodyne	ACOX1	92	39
COC(=O)c1ccc(OC[C@@H](O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852058881	GC	On-Demand	Anodyne	ABCB1	54	42
COC(=O)c1ccc(OC[C@H](O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852058882	GC	On-Demand	Anodyne	ADRB2	19	41
COC(=O)c1ccc(OC[C@H](O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852058882	GC	On-Demand	Anodyne	ADRB1	26	41
COC(=O)c1ccc(OC[C@H](O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852058882	GC	On-Demand	Anodyne	ACOX1	92	39
COC(=O)c1ccc(OC[C@H](O)CN2CCC(c3nc(N)n[nH]3)CC2)cc1	ZINC000852058882	GC	On-Demand	Anodyne	ABCB1	54	42
CN1CCC(N2CCC(NC(=O)NCC3SCCS3)CC2)CC1	ZINC000852058883	FD	On-Demand	Anodyne	SLC6A5	16	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	ZINC000852058892	CD	On-Demand	Reactive	TBXAS1	26	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	ZINC000852058892	CD	On-Demand	Reactive	CYSP_TRYCR	21	40
O=C(Cc1cccnc1)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852058910	GE	On-Demand	Reactive	KCNH2	43	43
O=C(Cc1cccnc1)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852058910	GE	On-Demand	Reactive	CHRNA7	49	42
O=C(Cc1cccnc1)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852058910	GE	On-Demand	Reactive	GLRA1	32	40
O=C(Cc1cccnc1)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852058910	GE	On-Demand	Reactive	ACHP_LYMST	40	42
CN1CCC(N2CCC(NC(=O)NCCC3SCCS3)CC2)CC1	ZINC000852058913	FE	On-Demand	Anodyne	SLC6A5	17	41
COC(=O)/C=C\c1ccc(OCCN2CC[C@@H]2C(F)(F)F)cc1	ZINC000852058931	EF	On-Demand	Anodyne	LTA4H	15	42
COC(=O)/C=C\c1ccc(OCCN2CC[C@@H]2C(F)(F)F)cc1	ZINC000852058931	EF	On-Demand	Anodyne	HRH3	15	40
COC(=O)/C=C\c1ccc(OCCN2CC[C@H]2C(F)(F)F)cc1	ZINC000852058932	EF	On-Demand	Anodyne	LTA4H	15	42
COC(=O)/C=C\c1ccc(OCCN2CC[C@H]2C(F)(F)F)cc1	ZINC000852058932	EF	On-Demand	Anodyne	HRH3	15	40
O=C(Cc1cccnc1)NNC(=O)NCCCC1CCC1	ZINC000852058953	CD	On-Demand	Reactive	BMP1	36	44
O=C(Cc1cccnc1)NNC(=O)NCCCC1CCC1	ZINC000852058953	CD	On-Demand	Reactive	NAMPT	43	39
CC[C@@H](C)CCNC(=O)NNC(=O)Cc1cccnc1	ZINC000852058958	CD	On-Demand	Reactive	KCNA5	19	40
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)Cc2cccnc2)cc1F	ZINC000852058972	FE	On-Demand	Reactive	FKBP1A	25	40
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)Cc2cccnc2)cc1F	ZINC000852058972	FE	On-Demand	Reactive	HCRTR1	15	44
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)Cc2cccnc2)cc1F	ZINC000852058972	FE	On-Demand	Reactive	CHRNA7	46	39
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059001	CC	On-Demand	Reactive	CHRNA7	43	38
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](C2CCCCC2)C1	ZINC000852059007	EE	On-Demand	Reactive	GRIN2B	18	48
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](C2CCCCC2)C1	ZINC000852059007	EE	On-Demand	Reactive	TBXAS1	17	40
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](C2CCCCC2)C1	ZINC000852059007	EE	On-Demand	Reactive	CHRNA7	58	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](C2CCCCC2)C1	ZINC000852059007	EE	On-Demand	Reactive	C3AR1	47	46
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](C2CCCCC2)C1	ZINC000852059007	EE	On-Demand	Reactive	ACHP_LYMST	27	41
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H](C2CCCCC2)C1	ZINC000852059007	EE	On-Demand	Reactive	NAMPT	51	41
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](C2CCCCC2)C1	ZINC000852059008	EE	On-Demand	Reactive	GRIN2B	18	48
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](C2CCCCC2)C1	ZINC000852059008	EE	On-Demand	Reactive	TBXAS1	17	40
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](C2CCCCC2)C1	ZINC000852059008	EE	On-Demand	Reactive	CHRNA7	58	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](C2CCCCC2)C1	ZINC000852059008	EE	On-Demand	Reactive	C3AR1	47	46
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](C2CCCCC2)C1	ZINC000852059008	EE	On-Demand	Reactive	ACHP_LYMST	27	41
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H](C2CCCCC2)C1	ZINC000852059008	EE	On-Demand	Reactive	NAMPT	51	41
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	DRD4	23	43
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	ACHE	45	51
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	HTR4	33	41
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	GRIN2B	21	45
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	SIGMAR1	35	47
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	SSTR5	44	33
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	CCR3	34	42
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	CHRNA7	47	36
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	FAAH	15	40
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	CACNA1I	62	42
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852059030	GD	On-Demand	Reactive	NAMPT	47	37
N#Cc1ccc(CCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1	ZINC000852059039	GD	On-Demand	Reactive	GPBAR1	36	46
O=C(NCc1ccc2occc2c1)NNC(=O)C1CCN(c2ncccn2)CC1	ZINC000852059042	GD	On-Demand	Reactive	NOS2	65	33
NC(=O)[C@@](O)(CN1CC[C@@H](c2ccncc2)C1)c1ccccc1	ZINC000852059046	DD	On-Demand	Anodyne	PRCP	17	42
NC(=O)[C@@](O)(CN1CC[C@@H](c2ccncc2)C1)c1ccccc1	ZINC000852059046	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@@](O)(CN1CC[C@H](c2ccncc2)C1)c1ccccc1	ZINC000852059047	DD	On-Demand	Anodyne	PRCP	17	42
NC(=O)[C@@](O)(CN1CC[C@H](c2ccncc2)C1)c1ccccc1	ZINC000852059047	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@](O)(CN1CC[C@@H](c2ccncc2)C1)c1ccccc1	ZINC000852059048	DD	On-Demand	Anodyne	PRCP	17	42
NC(=O)[C@](O)(CN1CC[C@@H](c2ccncc2)C1)c1ccccc1	ZINC000852059048	DD	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@](O)(CN1CC[C@H](c2ccncc2)C1)c1ccccc1	ZINC000852059049	DD	On-Demand	Anodyne	PRCP	17	42
NC(=O)[C@](O)(CN1CC[C@H](c2ccncc2)C1)c1ccccc1	ZINC000852059049	DD	On-Demand	Anodyne	CYP2J2	46	32
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]2C(F)(F)F)c1	ZINC000852059050	DD	On-Demand	Reactive	CCR2	42	41
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]2C(F)(F)F)c1	ZINC000852059050	DD	On-Demand	Reactive	KCNK3	55	40
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]2C(F)(F)F)c1	ZINC000852059050	DD	On-Demand	Reactive	KCNK9	45	38
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]2C(F)(F)F)c1	ZINC000852059051	DD	On-Demand	Reactive	CCR2	42	41
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]2C(F)(F)F)c1	ZINC000852059051	DD	On-Demand	Reactive	KCNK3	55	40
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]2C(F)(F)F)c1	ZINC000852059051	DD	On-Demand	Reactive	KCNK9	45	38
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	PTAFR	20	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	SIGMAR1	15	47
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	MMP13	24	45
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	CHRNA7	51	47
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	C3AR1	38	46
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	MMP3	20	45
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	SLC6A5	18	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	MMP9	26	45
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	MMP7	16	45
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3cccnc3)C2)cc1	ZINC000852059052	FD	On-Demand	Reactive	MMP1	26	45
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)NNc1ccc(Cl)cn1	ZINC000852059093	GD	On-Demand	Reactive	F10	21	43
N#CC[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059094	DC	On-Demand	Reactive	CHRNA7	41	35
N#CC[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059095	DC	On-Demand	Reactive	CHRNA7	41	35
CN1CCC(N2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)CC1	ZINC000852059097	FD	On-Demand	Reactive	HTR1F	40	35
CN1CCC(N2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)CC1	ZINC000852059097	FD	On-Demand	Reactive	SLC6A5	28	48
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	ZINC000852059098	EE	On-Demand	Reactive	TBXAS1	15	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	ZINC000852059098	EE	On-Demand	Reactive	PTAFR	16	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)Cc1cccnc1	ZINC000852059098	EE	On-Demand	Reactive	P2RX7	15	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	ZINC000852059099	EE	On-Demand	Reactive	TBXAS1	15	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	ZINC000852059099	EE	On-Demand	Reactive	PTAFR	16	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)Cc1cccnc1	ZINC000852059099	EE	On-Demand	Reactive	P2RX7	15	42
CCC1(CC)CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059107	DE	On-Demand	Reactive	NAMPT	33	40
C=CC[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059109	DD	On-Demand	Reactive	GRIN2B	17	43
C=CC[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059109	DD	On-Demand	Reactive	CHRNA7	42	36
C=CC[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059110	DD	On-Demand	Reactive	GRIN2B	17	43
C=CC[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059110	DD	On-Demand	Reactive	CHRNA7	42	36
CN1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000852059115	FE	On-Demand	Anodyne	SLC6A3	26	40
CN1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000852059115	FE	On-Demand	Anodyne	CCR1	36	41
CN1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000852059116	FE	On-Demand	Anodyne	SLC6A3	26	40
CN1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000852059116	FE	On-Demand	Anodyne	CCR1	36	41
CN1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000852059117	FE	On-Demand	Anodyne	SLC6A3	26	40
CN1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000852059117	FE	On-Demand	Anodyne	CCR1	36	41
CN1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000852059118	FE	On-Demand	Anodyne	SLC6A3	26	40
CN1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000852059118	FE	On-Demand	Anodyne	CCR1	36	41
CN1CCC(N2CCC(NC(=O)NCC[S@@](=O)CC(F)(F)F)CC2)CC1	ZINC000852059119	GD	On-Demand	Anodyne	SLC6A5	25	45
CN1CCC(N2CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC2)CC1	ZINC000852059120	GD	On-Demand	Anodyne	SLC6A5	25	45
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059160	DC	On-Demand	Reactive	GRIN2B	15	42
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059160	DC	On-Demand	Reactive	CHRNA7	48	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059160	DC	On-Demand	Reactive	C3AR1	42	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059160	DC	On-Demand	Reactive	SLC6A5	19	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059161	DC	On-Demand	Reactive	GRIN2B	15	42
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059161	DC	On-Demand	Reactive	CHRNA7	48	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059161	DC	On-Demand	Reactive	C3AR1	42	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059161	DC	On-Demand	Reactive	SLC6A5	19	41
COCCN(CCF)C(=O)NC1CCN(C2CCN(C)CC2)CC1	ZINC000852059168	ED	On-Demand	Anodyne	SLC6A5	16	41
O=C(Cc1cccnc1)NNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852059172	FA	On-Demand	Reactive	CHRNA7	44	36
CN1CCC(N2CCC(NC(=O)N[C@H]3C=CCC3)CC2)CC1	ZINC000852059175	DD	On-Demand	Anodyne	SLC6A5	19	43
CN1CCC(N2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)CC1	ZINC000852059176	DD	On-Demand	Anodyne	SLC6A5	19	43
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NNC(=O)Cc1cccnc1	ZINC000852059209	GE	On-Demand	Reactive	CHRNA7	43	41
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NNC(=O)Cc1cccnc1	ZINC000852059209	GE	On-Demand	Reactive	NAMPT	40	35
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)Cc1cccnc1	ZINC000852059224	ED	On-Demand	Reactive	CHRNA7	43	44
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852059243	CC	On-Demand	Reactive	CHRNA7	50	44
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852059243	CC	On-Demand	Reactive	ACHP_LYMST	25	44
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852059243	CC	On-Demand	Reactive	NAMPT	40	38
O=C(Cc1cccnc1)NNC(=O)N[C@H]1C=CCC1	ZINC000852059244	CC	On-Demand	Reactive	CHRNA7	50	44
O=C(Cc1cccnc1)NNC(=O)N[C@H]1C=CCC1	ZINC000852059244	CC	On-Demand	Reactive	ACHP_LYMST	25	44
O=C(Cc1cccnc1)NNC(=O)N[C@H]1C=CCC1	ZINC000852059244	CC	On-Demand	Reactive	NAMPT	40	38
O=C(Cc1cccnc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852059251	FD	On-Demand	Reactive	SCN2A	20	49
O=C(Cc1cccnc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852059251	FD	On-Demand	Reactive	SCN10A	24	49
O=C(Cc1cccnc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852059251	FD	On-Demand	Reactive	NAMPT	62	46
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NNC(=O)Cc1cccnc1	ZINC000852059280	GB	On-Demand	Reactive	TBXAS1	66	38
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NNC(=O)Cc1cccnc1	ZINC000852059280	GB	On-Demand	Reactive	PTAFR	23	41
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)Cc3cccnc3)C2)c1	ZINC000852059302	FE	On-Demand	Reactive	MMP13	16	41
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)Cc3cccnc3)C2)c1	ZINC000852059302	FE	On-Demand	Reactive	CHRNA7	22	40
COc1ccc2c(CN3CC[C@@H]3C(F)(F)F)cc(=O)oc2c1	ZINC000852059312	DF	On-Demand	Anodyne	CYP19A1	15	53
COc1ccc2c(CN3CC[C@@H]3C(F)(F)F)cc(=O)oc2c1	ZINC000852059312	DF	On-Demand	Anodyne	CYP11B1	18	44
COc1ccc2c(CN3CC[C@@H]3C(F)(F)F)cc(=O)oc2c1	ZINC000852059312	DF	On-Demand	Anodyne	MAOB	29	45
COc1ccc2c(CN3CC[C@H]3C(F)(F)F)cc(=O)oc2c1	ZINC000852059313	DF	On-Demand	Anodyne	CYP19A1	15	53
COc1ccc2c(CN3CC[C@H]3C(F)(F)F)cc(=O)oc2c1	ZINC000852059313	DF	On-Demand	Anodyne	CYP11B1	18	44
COc1ccc2c(CN3CC[C@H]3C(F)(F)F)cc(=O)oc2c1	ZINC000852059313	DF	On-Demand	Anodyne	MAOB	29	45
CS(=O)(=O)C1(CNC(=O)NNC(=O)Cc2cccnc2)CCCCC1	ZINC000852059319	FC	On-Demand	Reactive	NAMPT	49	43
O=C(CN1CC[C@H]1C(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852059351	EC	On-Demand	Reactive	CCR2	16	42
O=C(CN1CC[C@@H]1C(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852059352	EC	On-Demand	Reactive	CCR2	16	42
O=C(Cc1cccnc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852059406	DC	On-Demand	Reactive	CHRNA7	43	34
O=C(Cc1cccnc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852059406	DC	On-Demand	Reactive	P2RY14	40	39
O=C(Cc1cccnc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852059406	DC	On-Demand	Reactive	NAMPT	36	41
O=C(Cc1cccnc1)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852059409	GE	On-Demand	Reactive	SCD1	34	56
O=C(Cc1cccnc1)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852059409	GE	On-Demand	Reactive	SCD	59	47
O=C(Cc1cccnc1)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852059409	GE	On-Demand	Reactive	TRPM8	18	49
CN(CCNC(=O)NCC1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C	ZINC000852059426	FE	On-Demand	Anodyne	CACNA1I	45	35
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852059432	ED	On-Demand	Reactive	CCR3	70	38
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852059432	ED	On-Demand	Reactive	CHRNA7	43	35
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852059432	ED	On-Demand	Reactive	NAMPT	40	39
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852059433	ED	On-Demand	Reactive	CCR3	70	38
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852059433	ED	On-Demand	Reactive	CHRNA7	43	35
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852059433	ED	On-Demand	Reactive	NAMPT	40	39
O=C(Cc1cccnc1)NNC(=O)NC1CCC(C2CCC2)CC1	ZINC000852059440	EE	On-Demand	Reactive	CHRNA7	48	40
O=C(Cc1cccnc1)NNC(=O)NC1CCC(C2CCC2)CC1	ZINC000852059440	EE	On-Demand	Reactive	C3AR1	42	41
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NNC(=O)Cc1cccnc1	ZINC000852059457	ED	On-Demand	Reactive	CHRNA7	46	33
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NNC(=O)Cc1cccnc1	ZINC000852059458	ED	On-Demand	Reactive	CHRNA7	46	33
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852059459	DC	On-Demand	Reactive	GRIN2B	17	46
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852059459	DC	On-Demand	Reactive	CHRNA7	59	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852059459	DC	On-Demand	Reactive	C3AR1	41	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852059459	DC	On-Demand	Reactive	ACHP_LYMST	28	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852059459	DC	On-Demand	Reactive	NAMPT	58	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852059460	DC	On-Demand	Reactive	GRIN2B	17	46
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852059460	DC	On-Demand	Reactive	CHRNA7	59	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852059460	DC	On-Demand	Reactive	C3AR1	41	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852059460	DC	On-Demand	Reactive	ACHP_LYMST	28	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852059460	DC	On-Demand	Reactive	NAMPT	58	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852059461	DC	On-Demand	Reactive	GRIN2B	17	46
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852059461	DC	On-Demand	Reactive	CHRNA7	59	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852059461	DC	On-Demand	Reactive	C3AR1	41	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852059461	DC	On-Demand	Reactive	ACHP_LYMST	28	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852059461	DC	On-Demand	Reactive	NAMPT	58	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852059462	DC	On-Demand	Reactive	GRIN2B	17	46
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852059462	DC	On-Demand	Reactive	CHRNA7	59	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852059462	DC	On-Demand	Reactive	C3AR1	41	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852059462	DC	On-Demand	Reactive	ACHP_LYMST	28	42
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852059462	DC	On-Demand	Reactive	NAMPT	58	42
O=C(CN1CC[C@@H]1C(F)(F)F)OCc1ccccc1	ZINC000852059467	CE	On-Demand	Anodyne	SLC12A5	69	37
O=C(CN1CC[C@H]1C(F)(F)F)OCc1ccccc1	ZINC000852059468	CE	On-Demand	Anodyne	SLC12A5	69	37
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852059476	FF	On-Demand	Anodyne	CNR2	22	42
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852059476	FF	On-Demand	Anodyne	CCR8	49	36
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852059477	FF	On-Demand	Anodyne	CNR2	22	42
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852059477	FF	On-Demand	Anodyne	CCR8	49	36
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	CELA1	24	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	CTSD	95	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	PGC	71	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	CMA1	45	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	CTRA_BOVIN	28	48
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	PAPA1_CARPA	32	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	CCKAR	23	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	CTSK	17	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	CTSL	22	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	PGA	43	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	BACE2	47	35
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	REN	111	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	REN1	41	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	BACE1	64	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	PGA5	44	31
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	FPR1	54	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	PLM1_PLAFA	23	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852059484	GG	On-Demand	Anodyne	PLM2_PLAFA	43	35
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	CELA1	24	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	CTSD	95	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	PGC	71	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	CMA1	45	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	CTRA_BOVIN	28	48
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	PAPA1_CARPA	32	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	CCKAR	23	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	CTSK	17	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	CTSL	22	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	PGA	43	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	BACE2	47	35
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	REN	111	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	REN1	41	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	BACE1	64	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	PGA5	44	31
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	FPR1	54	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	PLM1_PLAFA	23	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852059485	GG	On-Demand	Anodyne	PLM2_PLAFA	43	35
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852059502	FD	On-Demand	Reactive	SIGMAR1	21	40
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852059502	FD	On-Demand	Reactive	CHRNA7	50	40
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852059502	FD	On-Demand	Reactive	ACHP_LYMST	23	40
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852059502	FD	On-Demand	Reactive	NAMPT	43	37
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852059503	FD	On-Demand	Reactive	SIGMAR1	21	40
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852059503	FD	On-Demand	Reactive	CHRNA7	50	40
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852059503	FD	On-Demand	Reactive	ACHP_LYMST	23	40
O=C(Cc1cccnc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852059503	FD	On-Demand	Reactive	NAMPT	43	37
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852059508	ED	On-Demand	Reactive	GRIN2B	27	47
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852059508	ED	On-Demand	Reactive	SIGMAR1	26	40
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852059508	ED	On-Demand	Reactive	CHRNA7	48	38
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852059508	ED	On-Demand	Reactive	CACNA1I	60	40
O=C(Cc1cccnc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852059508	ED	On-Demand	Reactive	NAMPT	45	39
O=C(Cc1cccnc1)NNC(=O)NCC1SCCS1	ZINC000852059514	DC	On-Demand	Reactive	NAMPT	41	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NNC(=O)Cc2cccnc2)O1	ZINC000852059552	FA	On-Demand	Reactive	NAMPT	33	43
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NNC(=O)Cc2cccnc2)O1	ZINC000852059553	FA	On-Demand	Reactive	NAMPT	33	43
CN(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000852059556	GE	On-Demand	Anodyne	SIGMAR1	16	40
CN(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000852059556	GE	On-Demand	Anodyne	MBTPS1	40	31
CN(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000852059557	GE	On-Demand	Anodyne	SIGMAR1	16	40
CN(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000852059557	GE	On-Demand	Anodyne	MBTPS1	40	31
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NNC(=O)Cc1cccnc1	ZINC000852059562	FC	On-Demand	Reactive	CHRNA7	45	37
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccc(N2CCCCCC2)cc1	ZINC000852059563	FH	On-Demand	Anodyne	KCNQ2	16	40
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccc(N2CCCCCC2)cc1	ZINC000852059564	FH	On-Demand	Anodyne	KCNQ2	16	40
N#Cc1ccc(OCCCN2CC[C@@H]2C(F)(F)F)cc1	ZINC000852059576	CF	On-Demand	Mild	HRH3	52	56
N#Cc1ccc(OCCCN2CC[C@@H]2C(F)(F)F)cc1	ZINC000852059576	CF	On-Demand	Mild	MEN1	58	51
N#Cc1ccc(OCCCN2CC[C@H]2C(F)(F)F)cc1	ZINC000852059577	CF	On-Demand	Mild	HRH3	52	56
N#Cc1ccc(OCCCN2CC[C@H]2C(F)(F)F)cc1	ZINC000852059577	CF	On-Demand	Mild	MEN1	58	51
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccc2nc(O)[nH]c2c1	ZINC000852059583	DD	On-Demand	Anodyne	MCHR1	19	45
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccc2nc(O)[nH]c2c1	ZINC000852059584	DD	On-Demand	Anodyne	MCHR1	19	45
O=C(Cc1cccnc1)NNC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852059608	ED	On-Demand	Reactive	NAMPT	32	41
O=C(Cc1cccnc1)NNC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852059609	ED	On-Demand	Reactive	NAMPT	32	41
O=C(Cc1cccnc1)NNC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852059610	ED	On-Demand	Reactive	NAMPT	32	41
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852059633	GD	On-Demand	Reactive	TBXAS1	36	41
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852059633	GD	On-Demand	Reactive	CHRNA7	47	48
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852059633	GD	On-Demand	Reactive	SSTR3	33	47
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852059633	GD	On-Demand	Reactive	ACHP_LYMST	24	48
O=C(Cc1cccnc1)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852059633	GD	On-Demand	Reactive	NAMPT	45	39
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCN2CCCC[C@@H]12	ZINC000852059647	FE	On-Demand	Clean	L3MBTL3	42	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCN2CCCC[C@@H]12	ZINC000852059648	FE	On-Demand	Clean	L3MBTL3	42	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCN2CCCC[C@H]12	ZINC000852059649	FE	On-Demand	Clean	L3MBTL3	42	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCN2CCCC[C@H]12	ZINC000852059650	FE	On-Demand	Clean	L3MBTL3	42	37
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852059654	ED	On-Demand	Reactive	GRIN2B	17	45
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852059654	ED	On-Demand	Reactive	CHRNA7	53	43
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852059654	ED	On-Demand	Reactive	C3AR1	42	41
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852059654	ED	On-Demand	Reactive	ACHP_LYMST	24	42
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852059654	ED	On-Demand	Reactive	NAMPT	43	38
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852059655	ED	On-Demand	Reactive	GRIN2B	17	45
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852059655	ED	On-Demand	Reactive	CHRNA7	53	43
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852059655	ED	On-Demand	Reactive	C3AR1	42	41
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852059655	ED	On-Demand	Reactive	ACHP_LYMST	24	42
O=C(Cc1cccnc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852059655	ED	On-Demand	Reactive	NAMPT	43	38
O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852059660	CD	On-Demand	Reactive	CHRNA7	50	39
O=C(Cc1cccnc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852059660	CD	On-Demand	Reactive	NAMPT	45	35
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852059680	CC	On-Demand	Reactive	GRIN2B	19	47
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852059680	CC	On-Demand	Reactive	CHRNA7	62	43
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852059680	CC	On-Demand	Reactive	C3AR1	42	41
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852059680	CC	On-Demand	Reactive	ACHP_LYMST	28	43
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852059680	CC	On-Demand	Reactive	NAMPT	64	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852059681	CC	On-Demand	Reactive	GRIN2B	19	47
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852059681	CC	On-Demand	Reactive	CHRNA7	62	43
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852059681	CC	On-Demand	Reactive	C3AR1	42	41
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852059681	CC	On-Demand	Reactive	ACHP_LYMST	28	43
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852059681	CC	On-Demand	Reactive	NAMPT	64	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852059682	CC	On-Demand	Reactive	GRIN2B	19	47
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852059682	CC	On-Demand	Reactive	CHRNA7	62	43
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852059682	CC	On-Demand	Reactive	C3AR1	42	41
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852059682	CC	On-Demand	Reactive	ACHP_LYMST	28	43
O=C(Cc1cccnc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852059682	CC	On-Demand	Reactive	NAMPT	64	39
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852059683	CC	On-Demand	Reactive	GRIN2B	19	47
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852059683	CC	On-Demand	Reactive	CHRNA7	62	43
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852059683	CC	On-Demand	Reactive	C3AR1	42	41
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852059683	CC	On-Demand	Reactive	ACHP_LYMST	28	43
O=C(Cc1cccnc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852059683	CC	On-Demand	Reactive	NAMPT	64	39
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccccc1C(=O)NC1CC1	ZINC000852059728	EE	On-Demand	Anodyne	CCR8	54	32
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccccc1C(=O)NC1CC1	ZINC000852059729	EE	On-Demand	Anodyne	CCR8	54	32
CCC(CC)(CNC(=O)NNC(=O)Cc1cccnc1)c1ccc(F)cc1	ZINC000852059762	FF	On-Demand	Reactive	CACNA1G	38	44
O=C(Cc1cccnc1)NNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852059765	EC	On-Demand	Reactive	CHRNA7	43	35
O=C(Cc1cccnc1)NNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852059765	EC	On-Demand	Reactive	CALCRL	41	36
C[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852059777	GC	On-Demand	Reactive	CHRNA7	46	37
C[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852059777	GC	On-Demand	Reactive	C3AR1	40	37
O=C(N[C@@H]1CCN2CCCC[C@H]12)N1CC[C@H](N2CCOC2=O)C1	ZINC000852059785	DC	On-Demand	Anodyne	L3MBTL3	56	36
O=C(N[C@@H]1CCN2CCCC[C@@H]12)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852059786	DC	On-Demand	Anodyne	L3MBTL3	56	36
O=C(N[C@@H]1CCN2CCCC[C@H]12)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852059787	DC	On-Demand	Anodyne	L3MBTL3	56	36
O=C(N[C@@H]1CCN2CCCC[C@@H]12)N1CC[C@H](N2CCOC2=O)C1	ZINC000852059788	DC	On-Demand	Anodyne	L3MBTL3	56	36
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852059854	GH	On-Demand	Anodyne	NR1H4	15	43
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852059854	GH	On-Demand	Anodyne	RBP4	45	38
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852059854	GH	On-Demand	Anodyne	CCR8	52	32
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852059855	GH	On-Demand	Anodyne	NR1H4	15	43
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852059855	GH	On-Demand	Anodyne	RBP4	45	38
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852059855	GH	On-Demand	Anodyne	CCR8	52	32
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	ZINC000852059864	DD	On-Demand	Reactive	CHRNA7	42	35
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21	ZINC000852059865	DD	On-Demand	Reactive	CHRNA7	42	35
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21	ZINC000852059866	DD	On-Demand	Reactive	CHRNA7	42	35
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12	ZINC000852059867	DD	On-Demand	Reactive	CHRNA7	42	35
Fc1cccc(OCCN2CC[C@@H]2C(F)(F)F)c1	ZINC000852059892	CF	On-Demand	Anodyne	CHRNA10	67	50
Fc1cccc(OCCN2CC[C@H]2C(F)(F)F)c1	ZINC000852059893	CF	On-Demand	Anodyne	CHRNA10	67	50
CCSC1(CNC(=O)NNC(=O)Cc2cccnc2)CC1	ZINC000852059911	DD	On-Demand	Reactive	NAMPT	42	37
COC[C@@H](C)CNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852059912	DE	On-Demand	Anodyne	MC4R	29	40
COC[C@H](C)CNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852059913	DE	On-Demand	Anodyne	MC4R	29	40
COC[C@H](C)CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852059914	EF	On-Demand	Anodyne	ADRB1	15	53
COC[C@H](C)CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852059915	EF	On-Demand	Anodyne	ADRB1	15	53
COC[C@@H](C)CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852059916	EF	On-Demand	Anodyne	ADRB1	15	53
COC[C@@H](C)CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852059917	EF	On-Demand	Anodyne	ADRB1	15	53
O=C(Cc1cccnc1)NNC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852059918	ED	On-Demand	Reactive	CHRNA7	46	36
O=C(Cc1cccnc1)NNC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852059918	ED	On-Demand	Reactive	NAMPT	40	35
COC[C@H](C)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852059921	FG	On-Demand	Anodyne	PDS	41	32
COC[C@@H](C)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852059922	FG	On-Demand	Anodyne	PDS	41	32
O=C(Cc1cccnc1)NNC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852059968	ED	On-Demand	Reactive	CHRNA7	40	36
O=C(Cc1cccnc1)NNC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852059968	ED	On-Demand	Reactive	C3AR1	38	40
O=C(Cc1cccnc1)NNC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852059968	ED	On-Demand	Reactive	NAMPT	33	40
CC[C@@H](NC(=O)NCc1ncccn1)c1cccc(S(N)(=O)=O)c1	ZINC000852059969	ED	On-Demand	Anodyne	CA1	22	41
CC[C@@H](NC(=O)NCc1ncccn1)c1cccc(S(N)(=O)=O)c1	ZINC000852059969	ED	On-Demand	Anodyne	TACR3	42	35
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	HTR1A	70	55
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	DRD2	62	45
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	DRD4	44	45
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	ADRA1D	36	44
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	HTR2A	41	44
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	HTR2C	29	43
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	ADRA1A	39	44
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	DRD3	84	42
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	HTR7	45	39
COC(=O)N(C)CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1	ZINC000852059972	GC	On-Demand	Anodyne	ATP6V0A1	15	47
C[C@@]1(C#N)CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852059979	CC	On-Demand	Reactive	PTAFR	25	41
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1C=CCC1	ZINC000852059980	ED	On-Demand	Anodyne	HTR1A	48	55
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1C=CCC1	ZINC000852059980	ED	On-Demand	Anodyne	DRD2	49	47
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1C=CCC1	ZINC000852059980	ED	On-Demand	Anodyne	DRD4	27	47
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1C=CCC1	ZINC000852059980	ED	On-Demand	Anodyne	HTR2A	29	45
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1C=CCC1	ZINC000852059980	ED	On-Demand	Anodyne	HTR2C	17	42
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1C=CCC1	ZINC000852059980	ED	On-Demand	Anodyne	DRD3	70	41
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1C=CCC1	ZINC000852059981	ED	On-Demand	Anodyne	HTR1A	48	55
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1C=CCC1	ZINC000852059981	ED	On-Demand	Anodyne	DRD2	49	47
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1C=CCC1	ZINC000852059981	ED	On-Demand	Anodyne	DRD4	27	47
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1C=CCC1	ZINC000852059981	ED	On-Demand	Anodyne	HTR2A	29	45
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1C=CCC1	ZINC000852059981	ED	On-Demand	Anodyne	HTR2C	17	42
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1C=CCC1	ZINC000852059981	ED	On-Demand	Anodyne	DRD3	70	41
COc1ccc(N2CCN(C(=O)CN3CC[C@H]3C(F)(F)F)CC2)cc1	ZINC000852059984	FD	On-Demand	Clean	CCR1	26	41
COc1ccc(N2CCN(C(=O)CN3CC[C@H]3C(F)(F)F)CC2)cc1	ZINC000852059984	FD	On-Demand	Clean	SSTR1	40	38
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]3C(F)(F)F)CC2)cc1	ZINC000852059986	FD	On-Demand	Clean	CCR1	26	41
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]3C(F)(F)F)CC2)cc1	ZINC000852059986	FD	On-Demand	Clean	SSTR1	40	38
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000852059989	EC	On-Demand	Anodyne	AMY2	58	33
CC(=O)Nc1cccc(OCCNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852060020	GD	On-Demand	Anodyne	MTNR1A	15	40
CC(=O)Nc1cccc(OCCNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852060020	GD	On-Demand	Anodyne	EPHX2	24	40
O=C(CN1CC[C@H]1C(F)(F)F)NNC(=O)c1cccc(Cl)c1	ZINC000852060035	ED	On-Demand	Reactive	CACNA1I	51	44
O=C(CN1CC[C@@H]1C(F)(F)F)NNC(=O)c1cccc(Cl)c1	ZINC000852060037	ED	On-Demand	Reactive	CACNA1I	51	44
CC(=O)Nc1cccc(OCCNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852060044	FD	On-Demand	Anodyne	MTNR1A	17	40
CC(=O)Nc1cccc(OCCNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852060044	FD	On-Demand	Anodyne	EPHX2	17	40
O=C(NC[C@H]1CCCN(CC[C@H]2CCc3ccccc32)C1)C(F)(F)F	ZINC000852060045	FG	On-Demand	Anodyne	SLC6A1	99	33
O=C(NC[C@H]1CCCN(CC[C@H]2CCc3ccccc32)C1)C(F)(F)F	ZINC000852060045	FG	On-Demand	Anodyne	NQO2	15	43
O=C(NC[C@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1)C(F)(F)F	ZINC000852060048	FG	On-Demand	Anodyne	SLC6A1	99	33
O=C(NC[C@H]1CCCN(CC[C@@H]2CCc3ccccc32)C1)C(F)(F)F	ZINC000852060048	FG	On-Demand	Anodyne	NQO2	15	43
CCC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccn1	ZINC000852060053	EF	On-Demand	Anodyne	CALCRL	46	45
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)Cc1cccnc1	ZINC000852060059	DD	On-Demand	Reactive	CHRNA7	50	38
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)Cc1cccnc1	ZINC000852060059	DD	On-Demand	Reactive	NAMPT	48	39
CCC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccn1	ZINC000852060079	GJ	On-Demand	Anodyne	PDS	49	30
Nc1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060083	DE	On-Demand	Anodyne	DRD4	22	42
Nc1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060083	DE	On-Demand	Anodyne	HRH2	28	43
Nc1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060083	DE	On-Demand	Anodyne	CHRM3	21	41
Nc1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060083	DE	On-Demand	Anodyne	CCR3	51	43
Nc1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060083	DE	On-Demand	Anodyne	CCR2	23	41
Nc1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060083	DE	On-Demand	Anodyne	CACNA1I	29	42
Nc1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060085	DE	On-Demand	Anodyne	DRD4	22	42
Nc1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060085	DE	On-Demand	Anodyne	HRH2	28	43
Nc1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060085	DE	On-Demand	Anodyne	CHRM3	21	41
Nc1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060085	DE	On-Demand	Anodyne	CCR3	51	43
Nc1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060085	DE	On-Demand	Anodyne	CCR2	23	41
Nc1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852060085	DE	On-Demand	Anodyne	CACNA1I	29	42
COc1cc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)sn1	ZINC000852060091	EE	On-Demand	Anodyne	CACNA1I	55	34
COc1cc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)sn1	ZINC000852060093	EE	On-Demand	Anodyne	CACNA1I	55	34
O=C(Cc1ccccn1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852060112	ED	On-Demand	Reactive	GRIN2B	20	40
O=C(Cc1ccccn1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852060113	ED	On-Demand	Reactive	GRIN2B	20	40
O=C(CCN1CCn2cncc2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852060114	FD	On-Demand	Anodyne	MTOR	52	34
O=C(CCN1CCn2cncc2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852060114	FD	On-Demand	Anodyne	STAT6	58	33
CC(C)c1ccc2c(c1)CN(C(=O)NNC(=O)Cc1ccccn1)CC2	ZINC000852060127	FF	On-Demand	Reactive	MAPK1	43	34
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852060128	ED	On-Demand	Reactive	HTR4	33	43
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852060128	ED	On-Demand	Reactive	GRIN2B	33	40
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852060128	ED	On-Demand	Reactive	SIGMAR1	17	47
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852060128	ED	On-Demand	Reactive	CACNA1I	55	38
CN(C)CCOc1ccc(CCNC(=O)NNC(=O)c2cccc(F)n2)cc1	ZINC000852060145	GD	On-Demand	Reactive	ESRRG	43	32
COc1ccc2c(CN3CCn4cncc4C3)cc(=O)oc2c1	ZINC000852060193	DE	On-Demand	Anodyne	CYP19A1	18	57
COc1ccc2c(CN3CCn4cncc4C3)cc(=O)oc2c1	ZINC000852060193	DE	On-Demand	Anodyne	CYP11B1	20	48
CCC(CC)(CNC(=O)NNC(=O)Cc1ccccn1)c1ccc(F)cc1	ZINC000852060203	FF	On-Demand	Reactive	CACNA1G	38	43
CC(C)(C)OC(=O)N1CC[C@H](CN2CCn3cncc3C2)C1	ZINC000852060204	DD	On-Demand	Anodyne	GPR119	42	41
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCn3cncc3C2)C1	ZINC000852060205	DD	On-Demand	Anodyne	GPR119	42	41
O=C(CN1CC[C@H]1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852060217	FD	On-Demand	Bother	SLC6A9	15	44
O=C(CN1CC[C@H]1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852060217	FD	On-Demand	Bother	SSTR1	58	48
O=C(CN1CC[C@@H]1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852060218	FD	On-Demand	Bother	SLC6A9	15	44
O=C(CN1CC[C@@H]1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852060218	FD	On-Demand	Bother	SSTR1	58	48
C[C@H]1c2ccccc2OCCN1C(=O)NNC(=O)Cc1cccnc1	ZINC000852060235	ED	On-Demand	Reactive	CHRNA7	44	36
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN2CCCC[C@@H]12	ZINC000852060240	FF	On-Demand	Anodyne	OPRK1	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN2CCCC[C@H]12	ZINC000852060241	FF	On-Demand	Anodyne	OPRK1	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN2CCCC[C@@H]12	ZINC000852060242	FF	On-Demand	Anodyne	OPRK1	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN2CCCC[C@H]12	ZINC000852060243	FF	On-Demand	Anodyne	OPRK1	15	41
O=C(Cc1cccnc1)NNC(=O)NCc1cccc(COC[C@@H]2CCCO2)c1	ZINC000852060246	GD	On-Demand	Reactive	NAMPT	42	37
O=C(Cc1cccnc1)NNC(=O)NCc1cccc(COC[C@H]2CCCO2)c1	ZINC000852060247	GD	On-Demand	Reactive	NAMPT	42	37
COCc1csc(CNC(=O)NNC(=O)Cc2cccnc2)c1	ZINC000852060248	ED	On-Demand	Reactive	NAMPT	46	39
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852060264	GD	On-Demand	Reactive	CHRNA7	48	39
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852060264	GD	On-Demand	Reactive	STAT6	22	42
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852060264	GD	On-Demand	Reactive	NAMPT	91	46
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852060280	FD	On-Demand	Reactive	GRIN2B	23	46
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852060280	FD	On-Demand	Reactive	CHRNA7	50	39
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852060280	FD	On-Demand	Reactive	C3AR1	42	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852060280	FD	On-Demand	Reactive	NAMPT	44	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852060282	FD	On-Demand	Reactive	GRIN2B	23	46
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852060282	FD	On-Demand	Reactive	CHRNA7	50	39
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852060282	FD	On-Demand	Reactive	C3AR1	42	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)Cc2cccnc2)C1	ZINC000852060282	FD	On-Demand	Reactive	NAMPT	44	37
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)Cc1cccnc1	ZINC000852060302	ED	On-Demand	Reactive	NAMPT	47	40
COc1ccc(N2CC[C@H](NC(=O)NCc3nnc4n3CCCC4)C2)cc1	ZINC000852060307	FD	On-Demand	Clean	MTNR1A	15	41
COc1ccc(N2CC[C@H](NC(=O)NCc3nnc4n3CCCC4)C2)cc1	ZINC000852060307	FD	On-Demand	Clean	MTNR1B	16	41
COc1ccc(N2CC[C@H](NC(=O)NCc3nnc4n3CCCC4)C2)cc1	ZINC000852060307	FD	On-Demand	Clean	NPBWR1	51	30
O=C(NCc1ncccn1)N[C@@H]1CCN2CCCC[C@@H]12	ZINC000852060311	CC	On-Demand	Anodyne	SLC18A3	43	36
O=C(NCc1ncccn1)N[C@H]1CCN2CCCC[C@H]12	ZINC000852060313	CC	On-Demand	Anodyne	SLC18A3	43	36
O=C(NCc1ncccn1)N[C@H]1CCN2CCCC[C@@H]12	ZINC000852060314	CC	On-Demand	Anodyne	SLC18A3	43	36
O=C(NCc1ncccn1)N[C@@H]1CCN2CCCC[C@H]12	ZINC000852060317	CC	On-Demand	Anodyne	SLC18A3	43	36
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1cccnc1Cl	ZINC000852060319	CE	On-Demand	Anodyne	G2YM83_BOTF4	68	35
O=C(CN1CC[C@H]1C(F)(F)F)Nc1cccnc1Cl	ZINC000852060320	CE	On-Demand	Anodyne	G2YM83_BOTF4	68	35
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)Cc1cccnc1	ZINC000852060330	DD	On-Demand	Reactive	CHRNA7	44	36
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852060353	DG	On-Demand	Anodyne	IMDH_CRYPV	47	44
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852060356	DG	On-Demand	Anodyne	IMDH_CRYPV	47	44
CCC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccn1	ZINC000852060364	EE	On-Demand	Anodyne	EPHX2	26	40
CCC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccn1	ZINC000852060364	EE	On-Demand	Anodyne	CALCRL	21	40
COCCn1c(SCC(=O)Nc2cccc(C(=O)N(C)C)c2)nc(O)cc1=O	ZINC000852060380	HD	On-Demand	Anodyne	ENPP1	61	32
N#C[C@H](c1ccccc1)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000852060381	EF	On-Demand	Mild	PTAFR	29	40
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000852060382	EF	On-Demand	Mild	PTAFR	29	40
N#C[C@@H](c1ccccc1)N1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000852060383	EF	On-Demand	Mild	PTAFR	29	40
N#C[C@H](c1ccccc1)N1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000852060384	EF	On-Demand	Mild	PTAFR	29	40
CNS(=O)(=O)c1ccc(CN(C)C2CN(C(=O)OC(C)(C)C)C2)cc1	ZINC000852060404	FD	On-Demand	Anodyne	GPR119	48	46
CNS(=O)(=O)c1ccc(CN(C)C2CN(C(=O)OC(C)(C)C)C2)cc1	ZINC000852060404	FD	On-Demand	Anodyne	LIMK2	22	45
CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(OCC)cc2)CC1	ZINC000852060405	FE	On-Demand	Anodyne	P2RY12	79	42
CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(OCC)cc2)CC1	ZINC000852060406	FE	On-Demand	Anodyne	P2RY12	79	42
C[C@@H](Cn1cncn1)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	ZINC000852060425	FB	On-Demand	Reactive	HIS3	81	40
Cc1ncsc1CNC(=O)NCc1ncccn1	ZINC000852060429	CD	On-Demand	Anodyne	MAP1	43	34
C[C@@H](Cn1cncn1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852060431	EA	On-Demand	Reactive	HIS3	44	33
O=C(Cc1ccccn1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852060443	FD	On-Demand	Reactive	SIGMAR1	18	40
O=C(Cc1ccccn1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852060444	FD	On-Demand	Reactive	SIGMAR1	18	40
C[C@@H](Cn1cncn1)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852060466	FD	On-Demand	Anodyne	HIS3	75	33
O=C(Cc1ccccn1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852060474	ED	On-Demand	Reactive	CCR3	62	36
O=C(Cc1ccccn1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852060475	ED	On-Demand	Reactive	CCR3	62	36
O=C(Cc1ccccn1)NNC(=O)N1CC[C@H](C2CCCCC2)C1	ZINC000852060476	EE	On-Demand	Reactive	GRIN2B	21	40
O=C(Cc1ccccn1)NNC(=O)N1CC[C@@H](C2CCCCC2)C1	ZINC000852060477	EE	On-Demand	Reactive	GRIN2B	21	40
C[C@@H](Cn1cncn1)NC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	ZINC000852060483	GD	On-Demand	Anodyne	HIS3	48	33
C[C@@H](Cn1cncn1)NC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	ZINC000852060485	GD	On-Demand	Anodyne	HIS3	48	33
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	DRD4	24	45
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	ACHE	38	47
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	HTR4	36	41
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	GRIN2B	27	40
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	SIGMAR1	34	41
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	SSTR5	45	34
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	SCN5A	43	34
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	MCHR1	19	41
O=C(Cc1ccccn1)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852060489	GD	On-Demand	Reactive	CACNA1I	57	41
CC[C@@H](C)c1ccc(NC(=O)CN2CCn3cncc3C2)cc1	ZINC000852060497	DF	On-Demand	Anodyne	SCN2A	15	40
O=C(Cc1cccnc1)NNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852060537	GD	On-Demand	Reactive	NAMPT	63	46
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852060543	DD	On-Demand	Reactive	GRIN2B	16	42
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852060543	DD	On-Demand	Reactive	CHRNA7	53	40
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852060543	DD	On-Demand	Reactive	C3AR1	42	40
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852060543	DD	On-Demand	Reactive	NAMPT	45	40
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852060544	DD	On-Demand	Reactive	GRIN2B	16	42
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852060544	DD	On-Demand	Reactive	CHRNA7	53	40
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852060544	DD	On-Demand	Reactive	C3AR1	42	40
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852060544	DD	On-Demand	Reactive	NAMPT	45	40
COC[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852060549	DD	On-Demand	Clean	MTNR1A	17	46
COC[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852060549	DD	On-Demand	Clean	MTNR1B	15	46
COC[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852060550	DD	On-Demand	Clean	MTNR1A	17	46
COC[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852060550	DD	On-Demand	Clean	MTNR1B	15	46
COC[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852060551	DD	On-Demand	Clean	MTNR1A	17	46
COC[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852060551	DD	On-Demand	Clean	MTNR1B	15	46
COC[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852060552	DD	On-Demand	Clean	MTNR1A	17	46
COC[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852060552	DD	On-Demand	Clean	MTNR1B	15	46
O=C(CN1CC[C@H]1C(F)(F)F)Nc1ccc(N2CCCCC2)cc1	ZINC000852060569	EG	On-Demand	Anodyne	KCNQ2	16	40
O=C(CN1CC[C@@H]1C(F)(F)F)Nc1ccc(N2CCCCC2)cc1	ZINC000852060570	EG	On-Demand	Anodyne	KCNQ2	16	40
O=C(Cc1cccnc1)NNC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1	ZINC000852060587	FD	On-Demand	Reactive	NAMPT	40	38
O=C(Cc1cccnc1)NNC(=O)NCC1=CCCC1	ZINC000852060594	CD	On-Demand	Reactive	NAMPT	45	43
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852060600	ED	On-Demand	Reactive	CHRNA7	46	39
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852060601	ED	On-Demand	Reactive	CHRNA7	46	39
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852060602	ED	On-Demand	Reactive	CHRNA7	46	39
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852060603	ED	On-Demand	Reactive	CHRNA7	46	39
FC(F)(F)[C@H]1CCN1Cc1cscn1	ZINC000852060607	BE	On-Demand	Anodyne	SCN5A	40	33
FC(F)(F)[C@@H]1CCN1Cc1cscn1	ZINC000852060608	BE	On-Demand	Anodyne	SCN5A	40	33
NC(=O)C1CCN(c2ncccc2CNC(=O)NCC2SCCS2)CC1	ZINC000852060614	GD	On-Demand	Anodyne	SCN10A	16	40
COC(=O)N(C)CCNC(=O)NCCCOc1ccccc1OC	ZINC000852060615	ED	On-Demand	Anodyne	HTR1A	15	42
COC(=O)N(C)CCNC(=O)NCCCOc1ccccc1OC	ZINC000852060615	ED	On-Demand	Anodyne	ADRA1D	22	42
COC(=O)N(C)CCNC(=O)NCCCOc1ccccc1OC	ZINC000852060615	ED	On-Demand	Anodyne	ADRA1A	17	42
COC(=O)N(C)CCNC(=O)NCCCOc1ccccc1OC	ZINC000852060615	ED	On-Demand	Anodyne	ADRA1B	15	42
CCC[C@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccn1	ZINC000852060617	EE	On-Demand	Anodyne	CALCRL	30	42
CCC[C@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccn1	ZINC000852060619	EE	On-Demand	Anodyne	CALCRL	30	42
CC(=O)c1[nH]c(CCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)nc1C	ZINC000852060625	FD	On-Demand	Anodyne	CCR3	47	37
CC(=O)c1[nH]c(CCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)nc1C	ZINC000852060626	FD	On-Demand	Anodyne	CCR3	47	37
O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852060628	EF	On-Demand	Anodyne	BIRC8	46	35
O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852060629	EF	On-Demand	Anodyne	BIRC8	46	35
O=C(N[C@@H](c1ccccc1)C1CCC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852060630	EF	On-Demand	Anodyne	BIRC8	46	35
O=C(N[C@@H](c1ccccc1)C1CCC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852060631	EF	On-Demand	Anodyne	BIRC8	46	35
O[C@H](CN1CC[C@@H]1C(F)(F)F)c1ccc(F)cc1	ZINC000852060650	CE	On-Demand	Anodyne	SLC6A3	25	48
O[C@H](CN1CC[C@H]1C(F)(F)F)c1ccc(F)cc1	ZINC000852060651	CE	On-Demand	Anodyne	SLC6A3	25	48
O[C@@H](CN1CC[C@H]1C(F)(F)F)c1ccc(F)cc1	ZINC000852060652	CE	On-Demand	Anodyne	SLC6A3	25	48
O[C@@H](CN1CC[C@@H]1C(F)(F)F)c1ccc(F)cc1	ZINC000852060653	CE	On-Demand	Anodyne	SLC6A3	25	48
O=c1cc(CN2CCn3cncc3C2)c2ccc(O)cc2o1	ZINC000852060665	CD	On-Demand	Anodyne	HSD17B3	33	48
C[C@@H](Cn1cncn1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852060670	FD	On-Demand	Anodyne	HIS3	70	34
C[C@@H](Cn1cncn1)NC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852060676	GD	On-Demand	Anodyne	HIS3	74	33
Cc1ncsc1CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852060695	GH	On-Demand	Anodyne	ROCK2	21	41
Cc1nsc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)c1C#N	ZINC000852060725	GE	On-Demand	Mild	SLC27A1	44	38
COCCN(CCF)C(=O)NCCOc1cccc(NC(C)=O)c1	ZINC000852060727	ED	On-Demand	Anodyne	HRH2	24	41
COCCN(CCF)C(=O)NCCOc1cccc(NC(C)=O)c1	ZINC000852060727	ED	On-Demand	Anodyne	MTNR1A	31	48
COCCN(CCF)C(=O)NCCOc1cccc(NC(C)=O)c1	ZINC000852060727	ED	On-Demand	Anodyne	MTNR1B	32	48
O=C(Cc1ccccn1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852060730	ED	On-Demand	Reactive	SLC6A5	17	41
O=C(Cc1ccccn1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852060730	ED	On-Demand	Reactive	EPHX2	17	45
O=C(Cc1ccccn1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852060732	ED	On-Demand	Reactive	SLC6A5	17	41
O=C(Cc1ccccn1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852060732	ED	On-Demand	Reactive	EPHX2	17	45
COCCN(CCF)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	ZINC000852060748	EH	On-Demand	Anodyne	UTS2	41	33
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]2C(F)(F)F)c1	ZINC000852060751	ED	On-Demand	Anodyne	CACNA1B	48	36
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]2C(F)(F)F)c1	ZINC000852060751	ED	On-Demand	Anodyne	ST14	41	36
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]2C(F)(F)F)c1	ZINC000852060753	ED	On-Demand	Anodyne	CACNA1B	48	36
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]2C(F)(F)F)c1	ZINC000852060753	ED	On-Demand	Anodyne	ST14	41	36
C[C@@H](Cn1cncn1)NC(=O)NCCC1SCCS1	ZINC000852060775	DD	On-Demand	Anodyne	HIS3	85	40
O=C(Cc1ccccn1)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852060778	GE	On-Demand	Reactive	KCNH2	41	40
C[C@@H](Cn1cncn1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852060795	FE	On-Demand	Anodyne	HIS3	80	36
C[C@@H](Cn1cncn1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852060796	FE	On-Demand	Anodyne	HIS3	80	36
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccccn2)C1	ZINC000852060808	DC	On-Demand	Reactive	EPHX2	15	44
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccccn2)C1	ZINC000852060808	DC	On-Demand	Reactive	BIRC2	18	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccccn2)C1	ZINC000852060809	DC	On-Demand	Reactive	EPHX2	15	44
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccccn2)C1	ZINC000852060809	DC	On-Demand	Reactive	BIRC2	18	41
O=c1cc(CN2CC[C@@H]2C(F)(F)F)c2ccc(O)cc2o1	ZINC000852060815	CF	On-Demand	Anodyne	HSD17B3	39	52
O=c1cc(CN2CC[C@H]2C(F)(F)F)c2ccc(O)cc2o1	ZINC000852060816	CF	On-Demand	Anodyne	HSD17B3	39	52
O=C(Cc1cccnc1)NNC(=O)NCCCc1ccco1	ZINC000852060829	DD	On-Demand	Reactive	PTAFR	17	40
COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852060831	EE	On-Demand	Anodyne	HTR1A	16	45
COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852060831	EE	On-Demand	Anodyne	SLC6A4	17	45
COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852060831	EE	On-Demand	Anodyne	ABCB1	45	36
COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852060832	EE	On-Demand	Anodyne	HTR1A	16	45
COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852060832	EE	On-Demand	Anodyne	SLC6A4	17	45
COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852060832	EE	On-Demand	Anodyne	ABCB1	45	36
COc1cccc(OC)c1OC[C@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852060833	EE	On-Demand	Anodyne	HTR1A	16	45
COc1cccc(OC)c1OC[C@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852060833	EE	On-Demand	Anodyne	SLC6A4	17	45
COc1cccc(OC)c1OC[C@H](O)CN1CC[C@H]1C(F)(F)F	ZINC000852060833	EE	On-Demand	Anodyne	ABCB1	45	36
COc1cccc(OC)c1OC[C@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852060834	EE	On-Demand	Anodyne	HTR1A	16	45
COc1cccc(OC)c1OC[C@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852060834	EE	On-Demand	Anodyne	SLC6A4	17	45
COc1cccc(OC)c1OC[C@H](O)CN1CC[C@@H]1C(F)(F)F	ZINC000852060834	EE	On-Demand	Anodyne	ABCB1	45	36
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN4CCCC[C@@H]34)C2)cc1	ZINC000852060835	FE	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN4CCCC[C@H]34)C2)cc1	ZINC000852060836	FE	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN4CCCC[C@@H]34)C2)cc1	ZINC000852060837	FE	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN4CCCC[C@H]34)C2)cc1	ZINC000852060838	FE	On-Demand	Clean	MTNR1B	15	44
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCCCC2)C1	ZINC000852060853	EF	On-Demand	Reactive	GRIN2B	18	44
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCCCC2)C1	ZINC000852060853	EF	On-Demand	Reactive	TBXAS1	17	40
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCCCC2)C1	ZINC000852060853	EF	On-Demand	Reactive	CHRNA7	51	39
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCCCC2)C1	ZINC000852060853	EF	On-Demand	Reactive	C3AR1	45	44
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@H](C2CCCCC2)C1	ZINC000852060853	EF	On-Demand	Reactive	NAMPT	43	41
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCCCC2)C1	ZINC000852060854	EF	On-Demand	Reactive	GRIN2B	18	44
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCCCC2)C1	ZINC000852060854	EF	On-Demand	Reactive	TBXAS1	17	40
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCCCC2)C1	ZINC000852060854	EF	On-Demand	Reactive	CHRNA7	51	39
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCCCC2)C1	ZINC000852060854	EF	On-Demand	Reactive	C3AR1	45	44
O=C(Cc1cccnc1)NNC(=O)N1CCC[C@@H](C2CCCCC2)C1	ZINC000852060854	EF	On-Demand	Reactive	NAMPT	43	41
O=C(Cc1cccnc1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852060876	ED	On-Demand	Reactive	CHRNA7	45	38
O=C(Cc1cccnc1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852060876	ED	On-Demand	Reactive	C3AR1	40	38
O=C(CCN1CC[C@H]1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1	ZINC000852060898	FE	On-Demand	Anodyne	MTOR	64	36
O=C(CCN1CC[C@H]1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1	ZINC000852060898	FE	On-Demand	Anodyne	EPHX2	29	44
O=C(CCN1CC[C@H]1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1	ZINC000852060898	FE	On-Demand	Anodyne	STAT6	52	32
O=C(CCN1CC[C@@H]1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1	ZINC000852060899	FE	On-Demand	Anodyne	MTOR	64	36
O=C(CCN1CC[C@@H]1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1	ZINC000852060899	FE	On-Demand	Anodyne	EPHX2	29	44
O=C(CCN1CC[C@@H]1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1	ZINC000852060899	FE	On-Demand	Anodyne	STAT6	52	32
COC[C@H](C)CNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852060903	GG	On-Demand	Anodyne	GPR119	27	41
COC[C@@H](C)CNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852060906	GG	On-Demand	Anodyne	GPR119	27	41
COC[C@H](C)CNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852060908	GG	On-Demand	Anodyne	GPR119	27	41
COC[C@@H](C)CNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852060910	GG	On-Demand	Anodyne	GPR119	27	41
O=C(Cc1ccccn1)NNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852060922	EC	On-Demand	Reactive	CALCRL	46	36
C[C@@H](Cn1cncn1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852060926	ED	On-Demand	Anodyne	HIS3	82	39
C[C@@H](Cn1cncn1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852060927	ED	On-Demand	Anodyne	HIS3	82	39
COCCn1c(S[C@H](C)C(=O)NCc2cccc(OC)c2)nc(O)cc1=O	ZINC000852060936	GD	On-Demand	Anodyne	ROCK1	29	41
COCCn1c(S[C@H](C)C(=O)NCc2cccc(OC)c2)nc(O)cc1=O	ZINC000852060936	GD	On-Demand	Anodyne	ROCK2	29	41
COCCn1c(S[C@@H](C)C(=O)NCc2cccc(OC)c2)nc(O)cc1=O	ZINC000852060937	GD	On-Demand	Anodyne	ROCK1	29	41
COCCn1c(S[C@@H](C)C(=O)NCc2cccc(OC)c2)nc(O)cc1=O	ZINC000852060937	GD	On-Demand	Anodyne	ROCK2	29	41
COCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)nc(O)cc1=O	ZINC000852060944	GE	On-Demand	Anodyne	CTSA	53	32
COCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)nc(O)cc1=O	ZINC000852060945	GE	On-Demand	Anodyne	CTSA	53	32
COCCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2C)nc(O)cc1=O	ZINC000852060946	GE	On-Demand	Anodyne	CTSA	53	32
COCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2C)nc(O)cc1=O	ZINC000852060947	GE	On-Demand	Anodyne	CTSA	53	32
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)C[C@H](CC(F)(F)F)O1	ZINC000852060956	FD	On-Demand	Reactive	NAMPT	26	41
C[C@@H]1CN(C(=O)NNC(=O)Cc2cccnc2)C[C@@H](CC(F)(F)F)O1	ZINC000852060958	FD	On-Demand	Reactive	NAMPT	26	41
O=C(Cc1ccccn1)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852060961	GD	On-Demand	Reactive	ADAM17	23	40
O=C(Cc1ccccn1)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852060961	GD	On-Demand	Reactive	SSTR3	32	46
CN(C)CCOc1ccc(CCNC(=O)NCCC2SCCS2)cc1	ZINC000852060963	GF	On-Demand	Anodyne	LTA4H	15	40
CN(C)CCOc1ccc(CCNC(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852060979	GB	On-Demand	Reactive	ESRRG	44	34
CCOC(=O)C1=C(CN2CC[C@H]2C(F)(F)F)NC(=O)N[C@@H]1c1ccccc1	ZINC000852060987	GE	On-Demand	Anodyne	SLC27A4	78	37
C[C@@H](Cn1cncn1)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852060988	DC	On-Demand	Anodyne	HIS3	74	35
CCOC(=O)C1=C(CN2CC[C@@H]2C(F)(F)F)NC(=O)N[C@H]1c1ccccc1	ZINC000852060990	GE	On-Demand	Anodyne	SLC27A4	78	37
CCOC(=O)C1=C(CN2CC[C@@H]2C(F)(F)F)NC(=O)N[C@@H]1c1ccccc1	ZINC000852060992	GE	On-Demand	Anodyne	SLC27A4	78	37
CCOC(=O)C1=C(CN2CC[C@H]2C(F)(F)F)NC(=O)N[C@H]1c1ccccc1	ZINC000852060994	GE	On-Demand	Anodyne	SLC27A4	78	37
O=C(CN1CCn2cncc2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852060997	EC	On-Demand	Reactive	DRD4	40	32
O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852060998	EF	On-Demand	Anodyne	SLC6A1	146	44
O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852060998	EF	On-Demand	Anodyne	CHRM3	15	41
O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852060998	EF	On-Demand	Anodyne	LTA4H	19	41
O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852060998	EF	On-Demand	Anodyne	UGCG	44	33
O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852060998	EF	On-Demand	Anodyne	SIGMAR1	24	42
O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852060998	EF	On-Demand	Anodyne	CCR3	37	41
O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852060998	EF	On-Demand	Anodyne	GBA2	59	37
O=C(NNC(=O)c1cccc(F)n1)N[C@@H](c1ccccc1)C1CCC1	ZINC000852061011	EF	On-Demand	Reactive	TACR3	20	44
O=C(NNC(=O)c1cccc(F)n1)N[C@H](c1ccccc1)C1CCC1	ZINC000852061013	EF	On-Demand	Reactive	TACR3	20	44
C#C[C@@H](NC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)C1CCOCC1	ZINC000852061023	GD	On-Demand	Mild	SCN10A	19	41
C#C[C@H](NC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)C1CCOCC1	ZINC000852061025	GD	On-Demand	Mild	SCN10A	19	41
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)Cc2ccccn2)cc1F	ZINC000852061026	FE	On-Demand	Reactive	HCRTR1	20	43
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)Cc2ccccn2)cc1F	ZINC000852061026	FE	On-Demand	Reactive	ACKR3	44	31
COc1cccc(SCCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061031	GG	On-Demand	Anodyne	DRD4	44	34
COc1cccc(SCCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061031	GG	On-Demand	Anodyne	SLC6A1	49	37
COc1cccc(SCCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061031	GG	On-Demand	Anodyne	CCR3	41	45
COc1cccc(SCCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061031	GG	On-Demand	Anodyne	MTNR1A	18	44
COc1cccc(SCCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061031	GG	On-Demand	Anodyne	MTNR1B	18	44
COc1cccc(SCCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061034	GG	On-Demand	Anodyne	DRD4	44	34
COc1cccc(SCCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061034	GG	On-Demand	Anodyne	SLC6A1	49	37
COc1cccc(SCCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061034	GG	On-Demand	Anodyne	CCR3	41	45
COc1cccc(SCCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061034	GG	On-Demand	Anodyne	MTNR1A	18	44
COc1cccc(SCCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061034	GG	On-Demand	Anodyne	MTNR1B	18	44
CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061040	EH	On-Demand	Anodyne	DRD4	19	40
CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061040	EH	On-Demand	Anodyne	HRH2	27	41
CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061040	EH	On-Demand	Anodyne	SIGMAR1	15	44
CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061040	EH	On-Demand	Anodyne	CCR3	53	46
CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061040	EH	On-Demand	Anodyne	CCR2	32	40
CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061040	EH	On-Demand	Anodyne	MCHR1	17	41
CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061040	EH	On-Demand	Anodyne	CACNA1I	46	41
C[C@@H](Cn1cncn1)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000852061041	GC	On-Demand	Clean	HIS3	76	34
CC(C)c1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061042	EH	On-Demand	Anodyne	DRD4	19	40
CC(C)c1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061042	EH	On-Demand	Anodyne	HRH2	27	41
CC(C)c1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061042	EH	On-Demand	Anodyne	SIGMAR1	15	44
CC(C)c1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061042	EH	On-Demand	Anodyne	CCR3	53	46
CC(C)c1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061042	EH	On-Demand	Anodyne	CCR2	32	40
CC(C)c1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061042	EH	On-Demand	Anodyne	MCHR1	17	41
CC(C)c1cccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000852061042	EH	On-Demand	Anodyne	CACNA1I	46	41
O=C(Cc1ccccn1)NNC(=O)NC1CCC(C2CCC2)CC1	ZINC000852061045	EE	On-Demand	Reactive	EPHX2	15	41
O=C(NC[C@H]1CCCN(CCc2nsc3ccccc23)C1)C(F)(F)F	ZINC000852061047	FG	On-Demand	Anodyne	HTR1A	19	45
O=C(NC[C@H]1CCCN(CCc2nsc3ccccc23)C1)C(F)(F)F	ZINC000852061047	FG	On-Demand	Anodyne	DRD2	24	45
Cc1ncsc1CNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852061054	FE	On-Demand	Anodyne	VHL	59	35
C[C@@H](Cn1cncn1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852061057	FD	On-Demand	Anodyne	HIS3	80	38
C#C[C@@H](NC(=O)NCCOc1cccc(NC(C)=O)c1)C1CCOCC1	ZINC000852061075	FD	On-Demand	Mild	HRH2	27	41
C#C[C@@H](NC(=O)NCCOc1cccc(NC(C)=O)c1)C1CCOCC1	ZINC000852061075	FD	On-Demand	Mild	MTNR1A	19	40
C#C[C@@H](NC(=O)NCCOc1cccc(NC(C)=O)c1)C1CCOCC1	ZINC000852061075	FD	On-Demand	Mild	MTNR1B	15	40
C#C[C@@H](NC(=O)NCCOc1cccc(NC(C)=O)c1)C1CCOCC1	ZINC000852061075	FD	On-Demand	Mild	EPHX2	20	42
C#C[C@H](NC(=O)NCCOc1cccc(NC(C)=O)c1)C1CCOCC1	ZINC000852061076	FD	On-Demand	Mild	HRH2	27	41
C#C[C@H](NC(=O)NCCOc1cccc(NC(C)=O)c1)C1CCOCC1	ZINC000852061076	FD	On-Demand	Mild	MTNR1A	19	40
C#C[C@H](NC(=O)NCCOc1cccc(NC(C)=O)c1)C1CCOCC1	ZINC000852061076	FD	On-Demand	Mild	MTNR1B	15	40
C#C[C@H](NC(=O)NCCOc1cccc(NC(C)=O)c1)C1CCOCC1	ZINC000852061076	FD	On-Demand	Mild	EPHX2	20	42
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	HTR1A	73	63
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	DRD2	68	52
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	DRD1	15	46
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	DRD4	37	48
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	ADRA1D	23	48
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	HTR2A	48	49
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	HTR2C	30	48
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	ADRA1A	32	44
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	DRD3	82	48
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	HTR7	60	46
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCc1ncccn1	ZINC000852061119	FC	On-Demand	Anodyne	HNMT	41	34
O=C(CN1CCn2cncc2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852061138	FC	On-Demand	Bother	SSTR1	43	43
O=C(CN1CCn2cncc2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852061138	FC	On-Demand	Bother	KCNJ1	25	41
C[C@@H](Cn1cncn1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852061141	FD	On-Demand	Clean	HIS3	77	34
C[C@@H](Cn1cncn1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852061147	ED	On-Demand	Anodyne	HIS3	79	36
C[C@@H](Cn1cncn1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852061148	ED	On-Demand	Anodyne	HIS3	79	36
O=C(CN1CCn2cncc2C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852061163	FF	On-Demand	Anodyne	SLC27A1	41	38
C#C[C@H](NC(=O)N[C@@H](C)Cn1cncn1)C1CCOCC1	ZINC000852061171	CC	On-Demand	Mild	HIS3	76	35
C#C[C@@H](NC(=O)N[C@H](C)Cn1cncn1)C1CCOCC1	ZINC000852061172	CC	On-Demand	Mild	HIS3	76	35
C#C[C@@H](NC(=O)N[C@@H](C)Cn1cncn1)C1CCOCC1	ZINC000852061173	CC	On-Demand	Mild	HIS3	76	35
C#C[C@H](NC(=O)N[C@H](C)Cn1cncn1)C1CCOCC1	ZINC000852061174	CC	On-Demand	Mild	HIS3	76	35
COCCN(CCF)C(=O)N[C@@H](C)Cn1cncn1	ZINC000852061194	CC	On-Demand	Anodyne	HIS3	85	40
COCCN(CCF)C(=O)N[C@H](C)Cn1cncn1	ZINC000852061195	CC	On-Demand	Anodyne	HIS3	85	40
CN(C)CCOc1ccc(CCNC(=O)N[C@H]2C=CCC2)cc1	ZINC000852061196	DE	On-Demand	Anodyne	ESRRG	43	32
CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852061197	DE	On-Demand	Anodyne	ESRRG	43	32
CC[C@H](NC(=O)CSc1nc(O)cc(=O)n1CCOC)c1ccc(Cl)cc1	ZINC000852061245	HF	On-Demand	Anodyne	UTS2	40	32
CC[C@@H](NC(=O)CSc1nc(O)cc(=O)n1CCOC)c1ccc(Cl)cc1	ZINC000852061246	HF	On-Demand	Anodyne	UTS2	40	32
CC(=O)Nc1cccc(OCCNC(=O)NCCC2SCCS2)c1	ZINC000852061251	FF	On-Demand	Anodyne	ADRB1	17	42
CC(=O)Nc1cccc(OCCNC(=O)NCCC2SCCS2)c1	ZINC000852061251	FF	On-Demand	Anodyne	HRH2	34	44
CC(=O)Nc1cccc(OCCNC(=O)NCCC2SCCS2)c1	ZINC000852061251	FF	On-Demand	Anodyne	MTNR1A	31	47
CC(=O)Nc1cccc(OCCNC(=O)NCCC2SCCS2)c1	ZINC000852061251	FF	On-Demand	Anodyne	MTNR1B	26	47
CC(=O)Nc1cccc(OCCNC(=O)NCCC2SCCS2)c1	ZINC000852061251	FF	On-Demand	Anodyne	EPHX2	25	42
O=C(NC[C@H]1CCCN(Cc2cnc3ccccc3n2)C1)C(F)(F)F	ZINC000852061263	FF	On-Demand	Anodyne	CCR3	20	45
COCCn1c(SCc2ccc(-n3cccn3)cc2)nc(O)cc1=O	ZINC000852061265	FE	On-Demand	Anodyne	AMP1_PLAFQ	51	34
CCC[C@H](NC(=O)N1CCN(c2ccc(C)cc2C)CC1)c1ccccn1	ZINC000852061266	FI	On-Demand	Anodyne	NPY2R	19	40
CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H]3C(F)(F)F)CC2)c(F)c1	ZINC000852061273	GE	On-Demand	Anodyne	NPY2R	58	39
CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H]3C(F)(F)F)CC2)c(F)c1	ZINC000852061273	GE	On-Demand	Anodyne	SLC6A9	28	48
CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@H]3C(F)(F)F)CC2)c(F)c1	ZINC000852061274	GE	On-Demand	Anodyne	NPY2R	58	39
CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@H]3C(F)(F)F)CC2)c(F)c1	ZINC000852061274	GE	On-Demand	Anodyne	SLC6A9	28	48
CN(C)CCOc1ccc(CCNC(=O)NCc2ncccn2)cc1	ZINC000852061290	ED	On-Demand	Anodyne	LTA4H	20	44
CN(C)CCOc1ccc(CCNC(=O)NCc2ncccn2)cc1	ZINC000852061290	ED	On-Demand	Anodyne	ESRRG	45	34
CN(C)CCOc1ccc(CCNC(=O)NCC2SCCS2)cc1	ZINC000852061292	FE	On-Demand	Anodyne	LTA4H	15	40
O=C(Cc1ccccn1)NNC(=O)NCCCC1CCC1	ZINC000852061323	CD	On-Demand	Reactive	BMP1	19	41
C[C@@H](Cn1cncn1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852061324	EC	On-Demand	Anodyne	HIS3	77	37
C[C@@H](Cn1cncn1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852061327	EC	On-Demand	Anodyne	HIS3	77	37
C[C@@H](Cn1cncn1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852061350	CD	On-Demand	Reactive	HIS3	85	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cn3cncn3)C2)cc1	ZINC000852061365	ED	On-Demand	Clean	HIS3	71	36
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cn3cncn3)C2)cc1	ZINC000852061366	ED	On-Demand	Clean	HIS3	71	36
C[C@@H](Cn1cncn1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852061374	EB	On-Demand	Anodyne	HIS3	78	37
O=C(Cc1ccccn1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852061384	DD	On-Demand	Reactive	EPHX2	16	44
O=C(Cc1ccccn1)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852061388	GE	On-Demand	Reactive	SCD1	15	46
O=C(Cc1ccccn1)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852061388	GE	On-Demand	Reactive	SCD	22	40
O=C(Cc1ccccn1)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852061388	GE	On-Demand	Reactive	TRPM8	17	50
C[C@@H](Cn1cncn1)NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852061397	GD	On-Demand	Anodyne	HIS3	55	34
C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852061400	GD	On-Demand	Anodyne	HIS3	55	34
Cc1ncsc1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000852061403	GD	On-Demand	Clean	VHL	60	35
C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852061427	CC	On-Demand	Anodyne	HIS3	76	38
C[C@@H](Cn1cncn1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852061428	CC	On-Demand	Anodyne	HIS3	76	38
C[C@@H](Cn1cncn1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852061440	DB	On-Demand	Anodyne	HIS3	74	33
C[C@@H](Cn1cncn1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852061441	DB	On-Demand	Anodyne	HIS3	74	33
C[C@@H](Cn1cncn1)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852061448	FF	On-Demand	Anodyne	HIS3	66	36
C[C@@H](Cn1cncn1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852061454	ED	On-Demand	Anodyne	HIS3	80	37
O=C(CN1CCn2cncc2C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852061458	EE	On-Demand	Anodyne	SLC27A1	41	38
O=C(Cc1ccccn1)NNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852061472	ED	On-Demand	Reactive	EPHX2	25	40
C[C@@H](Cn1cncn1)NC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852061485	FC	On-Demand	Anodyne	HIS3	49	34
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)Cc1ccccn1	ZINC000852061496	EE	On-Demand	Reactive	P2RX7	15	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)Cc1ccccn1	ZINC000852061497	EE	On-Demand	Reactive	P2RX7	15	41
CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852061506	DE	On-Demand	Anodyne	HRH2	42	45
CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852061506	DE	On-Demand	Anodyne	MTNR1A	30	45
CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852061506	DE	On-Demand	Anodyne	MTNR1B	25	45
CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852061506	DE	On-Demand	Anodyne	EPHX2	30	42
COC(=O)N(C)CCNC(=O)N[C@H](C)Cn1cncn1	ZINC000852061507	CB	On-Demand	Anodyne	HIS3	81	38
CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852061508	DE	On-Demand	Anodyne	HRH2	42	45
CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852061508	DE	On-Demand	Anodyne	MTNR1A	30	45
CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852061508	DE	On-Demand	Anodyne	MTNR1B	25	45
CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852061508	DE	On-Demand	Anodyne	EPHX2	30	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)Cn1cncn1	ZINC000852061509	CB	On-Demand	Anodyne	HIS3	81	38
C[C@@H](Cn1cncn1)NC(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2	ZINC000852061525	FD	On-Demand	Anodyne	HIS3	71	34
CN(C)CCOc1ccc(CCNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852061531	GF	On-Demand	Reactive	F10	25	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2cncc2C1	ZINC000852061533	GE	On-Demand	Anodyne	CTSD	57	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2cncc2C1	ZINC000852061533	GE	On-Demand	Anodyne	PGC	61	37
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2cncc2C1	ZINC000852061533	GE	On-Demand	Anodyne	PGA	34	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2cncc2C1	ZINC000852061533	GE	On-Demand	Anodyne	REN	80	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2cncc2C1	ZINC000852061533	GE	On-Demand	Anodyne	REN1	20	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2cncc2C1	ZINC000852061533	GE	On-Demand	Anodyne	BACE1	49	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2cncc2C1	ZINC000852061533	GE	On-Demand	Anodyne	FPR1	45	37
COc1cc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)on1	ZINC000852061546	DD	On-Demand	Anodyne	CACNA1I	46	33
COc1cc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)on1	ZINC000852061547	DD	On-Demand	Anodyne	CACNA1I	46	33
CN(CCNC(=O)NCc1cccnc1N1CCCC1)C(=O)OC(C)(C)C	ZINC000852061571	GE	On-Demand	Anodyne	SCN2A	18	43
CN(CCNC(=O)NCc1cccnc1N1CCCC1)C(=O)OC(C)(C)C	ZINC000852061571	GE	On-Demand	Anodyne	SCN10A	27	43
CCOC(=O)C1=C(CN2CCn3cncc3C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852061580	GD	On-Demand	Anodyne	CACNA1C	18	40
CCOC(=O)C1=C(CN2CCn3cncc3C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852061580	GD	On-Demand	Anodyne	SLC27A4	54	33
CCOC(=O)C1=C(CN2CCn3cncc3C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852061581	GD	On-Demand	Anodyne	CACNA1C	18	40
CCOC(=O)C1=C(CN2CCn3cncc3C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852061581	GD	On-Demand	Anodyne	SLC27A4	54	33
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000852061582	GF	On-Demand	Anodyne	SLC6A3	17	40
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000852061582	GF	On-Demand	Anodyne	CACNA1I	53	34
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000852061585	GF	On-Demand	Anodyne	SLC6A3	17	40
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000852061585	GF	On-Demand	Anodyne	CACNA1I	53	34
CC(=O)c1ccc(N2CCN(C(=O)CN3CCn4cncc4C3)CC2)c(F)c1	ZINC000852061602	GD	On-Demand	Anodyne	SLC6A9	23	46
Cc1cc(C(=O)CN2CCn3cncc3C2)c(C)n1Cc1ccc2c(c1)OCO2	ZINC000852061640	GF	On-Demand	Anodyne	NOS2	50	34
O=C(CN1CCn2cncc2C1)Nc1cccnc1Cl	ZINC000852061641	CD	On-Demand	Anodyne	G2YM83_BOTF4	50	31
Cc1ncsc1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852061652	FE	On-Demand	Clean	VHL	68	41
O=C(Cc1ccccn1)NNC(=O)NCc1cccc(OC2CC2)c1F	ZINC000852061653	FD	On-Demand	Reactive	SCN5A	39	40
COC(=O)c1nc(CNC(=O)N[C@H](C)Cn2cncn2)ccc1Cl	ZINC000852061655	FD	On-Demand	Anodyne	HIS3	73	38
COC(=O)c1nc(CNC(=O)N[C@@H](C)Cn2cncn2)ccc1Cl	ZINC000852061656	FD	On-Demand	Anodyne	HIS3	73	38
O=C(Cc1ccccn1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852061673	FD	On-Demand	Reactive	SCN2A	19	45
O=C(Cc1ccccn1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852061673	FD	On-Demand	Reactive	SCN10A	20	45
C[C@@H](Cn1cncn1)NC(=O)N[C@H]1C=CCC1	ZINC000852061684	BC	On-Demand	Anodyne	HIS3	81	39
C[C@@H](Cn1cncn1)NC(=O)N[C@@H]1C=CCC1	ZINC000852061685	BC	On-Demand	Anodyne	HIS3	81	39
C[C@@H](Cn1cncn1)NC(=O)N1CCn2ncc(Br)c2C1	ZINC000852061690	FC	On-Demand	Anodyne	HIS3	77	35
C[C@@H](Cn1cncn1)NC(=O)NCC1SCCS1	ZINC000852061707	CC	On-Demand	Anodyne	HIS3	89	42
O=C(CN1CCn2cncc2C1)OCc1ccccc1	ZINC000852061717	CD	On-Demand	Anodyne	PREP	45	36
O=C(CN1CCn2cncc2C1)OCc1ccccc1	ZINC000852061717	CD	On-Demand	Anodyne	SLC12A5	51	33
CC(=O)Nc1cccc(OCCNC(=O)NCc2ncccn2)c1	ZINC000852061748	ED	On-Demand	Anodyne	HRH2	31	44
CC(=O)Nc1cccc(OCCNC(=O)NCc2ncccn2)c1	ZINC000852061748	ED	On-Demand	Anodyne	DRTS_LEIMA	16	40
CC(=O)Nc1cccc(OCCNC(=O)NCc2ncccn2)c1	ZINC000852061748	ED	On-Demand	Anodyne	MTNR1A	34	50
CC(=O)Nc1cccc(OCCNC(=O)NCc2ncccn2)c1	ZINC000852061748	ED	On-Demand	Anodyne	MTNR1B	31	50
CC(=O)Nc1cccc(OCCNC(=O)NCc2ncccn2)c1	ZINC000852061748	ED	On-Demand	Anodyne	EPHX2	21	40
O=C(NCc1ncccn1)N[C@@H](c1ccccc1)C1CCC1	ZINC000852061752	CF	On-Demand	Anodyne	TACR3	18	42
O=C(NCc1ncccn1)N[C@H](c1ccccc1)C1CCC1	ZINC000852061753	CF	On-Demand	Anodyne	TACR3	18	42
CC(=O)Nc1cccc(OCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852061801	GE	On-Demand	Anodyne	HRH2	36	43
CC(=O)Nc1cccc(OCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852061801	GE	On-Demand	Anodyne	MTNR1A	17	41
CC(=O)Nc1cccc(OCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852061801	GE	On-Demand	Anodyne	EPHX2	24	43
O=C(NC[C@H]1CCCN(Cc2cccc(F)n2)C1)C(F)(F)F	ZINC000852061811	DE	On-Demand	Anodyne	CCR3	40	36
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCC1SCCS1	ZINC000852061821	GD	On-Demand	Anodyne	HTR1A	51	63
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCC1SCCS1	ZINC000852061821	GD	On-Demand	Anodyne	DRD2	55	50
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCC1SCCS1	ZINC000852061821	GD	On-Demand	Anodyne	DRD4	28	44
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCC1SCCS1	ZINC000852061821	GD	On-Demand	Anodyne	HTR2A	32	45
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCC1SCCS1	ZINC000852061821	GD	On-Demand	Anodyne	HTR2C	19	44
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCC1SCCS1	ZINC000852061821	GD	On-Demand	Anodyne	ADRA1A	17	40
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCC1SCCS1	ZINC000852061821	GD	On-Demand	Anodyne	DRD3	72	42
O=C(NCCCCN1CCN(c2ncccn2)CC1)NCC1SCCS1	ZINC000852061821	GD	On-Demand	Anodyne	HTR7	18	42
CN(CCNC(=O)NCCc1ccnc2ccccc12)C(=O)OC(C)(C)C	ZINC000852061824	FF	On-Demand	Anodyne	NQO2	26	44
CN(CCNC(=O)NCCc1ccnc2ccccc12)C(=O)OC(C)(C)C	ZINC000852061824	FF	On-Demand	Anodyne	MTNR1A	39	43
CN(CCNC(=O)NCCc1ccnc2ccccc12)C(=O)OC(C)(C)C	ZINC000852061824	FF	On-Demand	Anodyne	MTNR1B	25	43
CC(=O)Nc1cccc(OCCNC(=O)NCC2SCCS2)c1	ZINC000852061837	FE	On-Demand	Anodyne	HRH2	34	44
CC(=O)Nc1cccc(OCCNC(=O)NCC2SCCS2)c1	ZINC000852061837	FE	On-Demand	Anodyne	MTNR1A	31	47
CC(=O)Nc1cccc(OCCNC(=O)NCC2SCCS2)c1	ZINC000852061837	FE	On-Demand	Anodyne	MTNR1B	26	47
CC(=O)Nc1cccc(OCCNC(=O)NCC2SCCS2)c1	ZINC000852061837	FE	On-Demand	Anodyne	EPHX2	29	45
O=C(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)nc1	ZINC000852061867	GE	On-Demand	Anodyne	CCR3	41	36
O=C(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)Nc1ccc(Cl)nc1	ZINC000852061868	GE	On-Demand	Anodyne	CCR3	41	36
COCCN(CCF)C(=O)N[C@@H](c1ccccc1)C1CCC1	ZINC000852061890	DG	On-Demand	Anodyne	AMY2	44	30
Cc1nc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(C)o1	ZINC000852061897	DE	On-Demand	Anodyne	PDE8B	50	36
Cc1nc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(C)o1	ZINC000852061898	DE	On-Demand	Anodyne	PDE8B	50	36
O=C(NC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1)C(F)(F)F	ZINC000852061903	DD	On-Demand	Anodyne	SLC18A3	26	41
CCOC(=O)C1=C(CN2CC[C@H]2C(F)(F)F)NC(=O)N[C@@H]1C	ZINC000852061905	DD	On-Demand	Anodyne	SLC27A4	42	31
CCOC(=O)C1=C(CN2CC[C@H]2C(F)(F)F)NC(=O)N[C@H]1C	ZINC000852061906	DD	On-Demand	Anodyne	SLC27A4	42	31
CCOC(=O)C1=C(CN2CC[C@@H]2C(F)(F)F)NC(=O)N[C@H]1C	ZINC000852061907	DD	On-Demand	Anodyne	SLC27A4	42	31
CCOC(=O)C1=C(CN2CC[C@@H]2C(F)(F)F)NC(=O)N[C@@H]1C	ZINC000852061908	DD	On-Demand	Anodyne	SLC27A4	42	31
COCCn1c(S[C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)nc(O)cc1=O	ZINC000852061927	ID	On-Demand	Anodyne	ENPP1	55	32
COCCn1c(S[C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)nc(O)cc1=O	ZINC000852061928	ID	On-Demand	Anodyne	ENPP1	55	32
O=C(NC[C@H]1CCCN(CCSc2ccc(F)cc2F)C1)C(F)(F)F	ZINC000852061933	GG	On-Demand	Anodyne	SLC6A1	53	37
O=C(NC[C@H]1CCCN(CCSc2ccc(F)cc2F)C1)C(F)(F)F	ZINC000852061933	GG	On-Demand	Anodyne	CCR3	58	42
O=C(NC[C@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1)C(F)(F)F	ZINC000852061949	GG	On-Demand	Anodyne	CCR3	54	35
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852061956	GD	On-Demand	Anodyne	HTR1A	38	56
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852061956	GD	On-Demand	Anodyne	DRD2	36	49
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852061956	GD	On-Demand	Anodyne	HTR2A	17	46
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852061956	GD	On-Demand	Anodyne	DRD3	50	46
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852061957	GD	On-Demand	Anodyne	HTR1A	38	56
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852061957	GD	On-Demand	Anodyne	DRD2	36	49
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852061957	GD	On-Demand	Anodyne	HTR2A	17	46
O=C(NCCCCN1CCN(c2ncccn2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852061957	GD	On-Demand	Anodyne	DRD3	50	46
COc1ccc([C@@H]2CCCN2C(=O)NCCN(C)C(=O)OC(C)(C)C)cc1F	ZINC000852061961	GH	On-Demand	Anodyne	ACKR3	44	31
CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852061975	EE	On-Demand	Anodyne	HRH2	40	43
CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852061975	EE	On-Demand	Anodyne	MTNR1A	19	42
CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852061975	EE	On-Demand	Anodyne	MTNR1B	16	42
CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852061975	EE	On-Demand	Anodyne	EPHX2	30	44
CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852061976	EE	On-Demand	Anodyne	HRH2	40	43
CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852061976	EE	On-Demand	Anodyne	MTNR1A	19	42
CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852061976	EE	On-Demand	Anodyne	MTNR1B	16	42
CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852061976	EE	On-Demand	Anodyne	EPHX2	30	44
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	HTR1A	40	42
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	DRD2	46	40
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	DRD4	42	40
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	HRH2	22	41
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	ADRA1D	29	42
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	HTR2A	19	42
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	DRD3	63	40
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	HTR7	29	40
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	CCR3	19	41
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	MTNR1A	25	45
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	MTNR1B	28	45
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	EPHX2	20	41
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	MCHR1	21	48
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3ccccc3OC)C2)cc1	ZINC000852061981	GG	On-Demand	Clean	EHMT2	50	34
NC(=O)[C@@](O)(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062001	FC	On-Demand	Anodyne	CHRM2	23	48
NC(=O)[C@@](O)(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062001	FC	On-Demand	Anodyne	CHRM1	21	48
NC(=O)[C@@](O)(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062001	FC	On-Demand	Anodyne	CHRM4	22	48
NC(=O)[C@@](O)(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062001	FC	On-Demand	Anodyne	CHRM3	39	48
NC(=O)[C@](O)(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062002	FC	On-Demand	Anodyne	CHRM2	23	48
NC(=O)[C@](O)(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062002	FC	On-Demand	Anodyne	CHRM1	21	48
NC(=O)[C@](O)(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062002	FC	On-Demand	Anodyne	CHRM4	22	48
NC(=O)[C@](O)(CN1CCC[C@@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062002	FC	On-Demand	Anodyne	CHRM3	39	48
NC(=O)[C@@](O)(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062003	FC	On-Demand	Anodyne	CHRM2	23	48
NC(=O)[C@@](O)(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062003	FC	On-Demand	Anodyne	CHRM1	21	48
NC(=O)[C@@](O)(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062003	FC	On-Demand	Anodyne	CHRM4	22	48
NC(=O)[C@@](O)(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062003	FC	On-Demand	Anodyne	CHRM3	39	48
NC(=O)[C@](O)(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062004	FC	On-Demand	Anodyne	CHRM2	23	48
NC(=O)[C@](O)(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062004	FC	On-Demand	Anodyne	CHRM1	21	48
NC(=O)[C@](O)(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062004	FC	On-Demand	Anodyne	CHRM4	22	48
NC(=O)[C@](O)(CN1CCC[C@H](CNC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852062004	FC	On-Demand	Anodyne	CHRM3	39	48
COCCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)nc(O)cc1=O	ZINC000852062020	GE	On-Demand	Anodyne	POLC	26	41
COCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)nc(O)cc1=O	ZINC000852062021	GE	On-Demand	Anodyne	POLC	26	41
CNS(=O)(=O)c1ccc(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062022	GD	On-Demand	Anodyne	CCR3	40	37
CNS(=O)(=O)c1ccc(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062023	GD	On-Demand	Anodyne	CCR3	40	37
CN(C[C@@H](O)c1ccccn1)C1CN(C(=O)OC(C)(C)C)C1	ZINC000852062027	DD	On-Demand	Anodyne	GPR119	39	45
COC(=O)N(C)CCNC(=O)NCCOc1cccc(NC(C)=O)c1	ZINC000852062031	FD	On-Demand	Anodyne	HRH2	27	45
COC(=O)N(C)CCNC(=O)NCCOc1cccc(NC(C)=O)c1	ZINC000852062031	FD	On-Demand	Anodyne	MTNR1A	43	51
COC(=O)N(C)CCNC(=O)NCCOc1cccc(NC(C)=O)c1	ZINC000852062031	FD	On-Demand	Anodyne	MTNR1B	38	51
COC(=O)N(C)CCNC(=O)NCCOc1cccc(NC(C)=O)c1	ZINC000852062031	FD	On-Demand	Anodyne	EPHX2	18	40
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062034	EE	On-Demand	Mild	HRH3	15	41
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062034	EE	On-Demand	Mild	CCR3	50	43
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062034	EE	On-Demand	Mild	GPBAR1	32	44
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062034	EE	On-Demand	Mild	BIRC2	31	41
N#Cc1ccc(CCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062034	EE	On-Demand	Mild	KCNJ1	22	45
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062035	EE	On-Demand	Mild	HRH3	15	41
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062035	EE	On-Demand	Mild	CCR3	50	43
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062035	EE	On-Demand	Mild	GPBAR1	32	44
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062035	EE	On-Demand	Mild	BIRC2	31	41
N#Cc1ccc(CCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852062035	EE	On-Demand	Mild	KCNJ1	22	45
COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCn4cncc4C3)C2=O)c1	ZINC000852062053	GC	On-Demand	Anodyne	DRD4	41	33
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCn4cncc4C3)C2=O)c1	ZINC000852062054	GC	On-Demand	Anodyne	DRD4	41	33
O[C@@H](COc1ccc2ccccc2c1)CN1CC[C@@H]1C(F)(F)F	ZINC000852062061	EG	On-Demand	Anodyne	ACOX1	67	36
O[C@H](COc1ccc2ccccc2c1)CN1CC[C@@H]1C(F)(F)F	ZINC000852062062	EG	On-Demand	Anodyne	ACOX1	67	36
O[C@H](COc1ccc2ccccc2c1)CN1CC[C@H]1C(F)(F)F	ZINC000852062063	EG	On-Demand	Anodyne	ACOX1	67	36
O[C@@H](COc1ccc2ccccc2c1)CN1CC[C@H]1C(F)(F)F	ZINC000852062064	EG	On-Demand	Anodyne	ACOX1	67	36
O=C(NC[C@H]1CCCN(Cc2nsc3ccccc23)C1)C(F)(F)F	ZINC000852062068	FG	On-Demand	Anodyne	HTR1A	17	41
O=C(NC[C@H]1CCCN(Cc2nsc3ccccc23)C1)C(F)(F)F	ZINC000852062068	FG	On-Demand	Anodyne	DRD2	21	41
CC(=O)Nc1cccc(OCCNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852062073	GD	On-Demand	Anodyne	HRH2	26	42
CC(=O)Nc1cccc(OCCNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852062073	GD	On-Demand	Anodyne	MTNR1A	26	46
CC(=O)Nc1cccc(OCCNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852062073	GD	On-Demand	Anodyne	MTNR1B	22	46
CC(=O)Nc1cccc(OCCNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852062073	GD	On-Demand	Anodyne	EPHX2	22	41
CC(=O)Nc1cccc(OCCNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852062074	GD	On-Demand	Anodyne	HRH2	26	42
CC(=O)Nc1cccc(OCCNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852062074	GD	On-Demand	Anodyne	MTNR1A	26	46
CC(=O)Nc1cccc(OCCNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852062074	GD	On-Demand	Anodyne	MTNR1B	22	46
CC(=O)Nc1cccc(OCCNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852062074	GD	On-Demand	Anodyne	EPHX2	22	41
CN(CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(=O)OC(C)(C)C	ZINC000852062081	GD	On-Demand	Anodyne	PYGL	31	44
CN(CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(=O)OC(C)(C)C	ZINC000852062081	GD	On-Demand	Anodyne	PYGM	28	44
CN(CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(=O)OC(C)(C)C	ZINC000852062082	GD	On-Demand	Anodyne	PYGL	31	44
CN(CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(=O)OC(C)(C)C	ZINC000852062082	GD	On-Demand	Anodyne	PYGM	28	44
O=C(NC[C@H]1CCCN(CCSc2cccc(Cl)c2)C1)C(F)(F)F	ZINC000852062083	GH	On-Demand	Anodyne	SLC6A1	44	38
O=C(NC[C@H]1CCCN(CCSc2cccc(Cl)c2)C1)C(F)(F)F	ZINC000852062083	GH	On-Demand	Anodyne	CCR3	27	40
O=C(NC[C@H]1CCCN(CCSc2cccc(Cl)c2)C1)C(F)(F)F	ZINC000852062083	GH	On-Demand	Anodyne	CACNA1I	58	39
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852062091	GC	On-Demand	Reactive	HRH2	40	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852062091	GC	On-Demand	Reactive	MTNR1A	15	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852062091	GC	On-Demand	Reactive	EPHX2	18	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852062092	GC	On-Demand	Reactive	HRH2	40	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852062092	GC	On-Demand	Reactive	MTNR1A	15	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852062092	GC	On-Demand	Reactive	EPHX2	18	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852062093	GC	On-Demand	Reactive	HRH2	40	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852062093	GC	On-Demand	Reactive	MTNR1A	15	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852062093	GC	On-Demand	Reactive	EPHX2	18	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852062094	GC	On-Demand	Reactive	HRH2	40	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852062094	GC	On-Demand	Reactive	MTNR1A	15	40
CC(=O)Nc1cccc(OCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852062094	GC	On-Demand	Reactive	EPHX2	18	40
COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H]2C(F)(F)F)cc1	ZINC000852062105	ED	On-Demand	Anodyne	ADRB2	21	41
COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H]2C(F)(F)F)cc1	ZINC000852062105	ED	On-Demand	Anodyne	ABCB1	31	41
COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]2C(F)(F)F)cc1	ZINC000852062106	ED	On-Demand	Anodyne	ADRB2	21	41
COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]2C(F)(F)F)cc1	ZINC000852062106	ED	On-Demand	Anodyne	ABCB1	31	41
COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H]2C(F)(F)F)cc1	ZINC000852062107	ED	On-Demand	Anodyne	ADRB2	21	41
COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H]2C(F)(F)F)cc1	ZINC000852062107	ED	On-Demand	Anodyne	ABCB1	31	41
COC(=O)c1ccc(OC[C@H](O)CN2CC[C@H]2C(F)(F)F)cc1	ZINC000852062108	ED	On-Demand	Anodyne	ADRB2	21	41
COC(=O)c1ccc(OC[C@H](O)CN2CC[C@H]2C(F)(F)F)cc1	ZINC000852062108	ED	On-Demand	Anodyne	ABCB1	31	41
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H](c1ccccc1)C1CCC1	ZINC000852062141	FD	On-Demand	Reactive	BIRC3	41	33
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H](c1ccccc1)C1CCC1	ZINC000852062142	FD	On-Demand	Reactive	BIRC3	41	33
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852062159	EF	On-Demand	Anodyne	SLC18A3	48	50
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852062159	EF	On-Demand	Anodyne	GPR119	47	52
CC(C)(C)OC(=O)N1CC[C@H](C2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852062160	EF	On-Demand	Anodyne	SLC18A3	48	50
CC(C)(C)OC(=O)N1CC[C@H](C2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852062160	EF	On-Demand	Anodyne	GPR119	47	52
CO[C@@H]1CC[C@@H](N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1	ZINC000852062175	FH	On-Demand	Anodyne	GPR119	21	42
CO[C@@H]1CC[C@@H](N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1	ZINC000852062177	FH	On-Demand	Anodyne	GPR119	21	42
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@@H]3CCC[C@H](O)C3)CC2)C1	ZINC000852062211	FH	On-Demand	Anodyne	GPR119	25	42
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@@H]3CCC[C@@H](O)C3)CC2)C1	ZINC000852062212	FH	On-Demand	Anodyne	GPR119	25	42
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@H]3CCC[C@H](O)C3)CC2)C1	ZINC000852062213	FH	On-Demand	Anodyne	GPR119	25	42
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@H]3CCC[C@@H](O)C3)CC2)C1	ZINC000852062214	FH	On-Demand	Anodyne	GPR119	25	42
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CCO[C@H]3CC3(F)F)CC2)C1	ZINC000852062215	FG	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CCO[C@H]3CC3(F)F)CC2)C1	ZINC000852062216	FG	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CCO[C@@H]3CC3(F)F)CC2)C1	ZINC000852062217	FG	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CCO[C@@H]3CC3(F)F)CC2)C1	ZINC000852062218	FG	On-Demand	Anodyne	GPR119	22	40
C[C@@H]1CN(CCN2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)O1	ZINC000852062235	GG	On-Demand	Anodyne	GPR119	32	42
C[C@@H]1CN(CCN2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)O1	ZINC000852062237	GG	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CC(=O)Nc3cnccn3)CC2)C1	ZINC000852062261	GE	On-Demand	Anodyne	GPR119	46	57
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CC(=O)Nc3cnccn3)CC2)C1	ZINC000852062262	GE	On-Demand	Anodyne	GPR119	46	57
COCCN(CCF)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1	ZINC000852062270	EC	On-Demand	Anodyne	SLC6A1	89	38
COCCN(CCF)C(=O)NCCCN1CCC[C@H](C(N)=O)C1	ZINC000852062271	EC	On-Demand	Anodyne	SLC6A1	89	38
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cccc(F)n3)CC2)C1	ZINC000852062339	FH	On-Demand	Anodyne	GPR119	48	46
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)n3)CC2)C1	ZINC000852062340	FH	On-Demand	Anodyne	GPR119	48	46
Cn1cnc(CN2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1	ZINC000852062351	EF	On-Demand	Anodyne	GPR119	44	50
Cn1cnc(CN2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1	ZINC000852062352	EF	On-Demand	Anodyne	GPR119	44	50
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C[C@H]3CNC(=O)C3)CC2)C1	ZINC000852062376	FE	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C[C@@H]3CNC(=O)C3)CC2)C1	ZINC000852062377	FE	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@@H]3CNC(=O)C3)CC2)C1	ZINC000852062378	FE	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@H]3CNC(=O)C3)CC2)C1	ZINC000852062379	FE	On-Demand	Anodyne	GPR119	28	44
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852062393	FF	On-Demand	Anodyne	OPRK1	18	44
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852062393	FF	On-Demand	Anodyne	CCR3	26	54
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852062393	FF	On-Demand	Anodyne	RPA1	44	30
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000852062394	FF	On-Demand	Anodyne	OPRK1	18	44
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000852062394	FF	On-Demand	Anodyne	CCR3	26	54
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000852062394	FF	On-Demand	Anodyne	RPA1	44	30
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000852062395	FF	On-Demand	Anodyne	OPRK1	18	44
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000852062395	FF	On-Demand	Anodyne	CCR3	26	54
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000852062395	FF	On-Demand	Anodyne	RPA1	44	30
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000852062396	FF	On-Demand	Anodyne	OPRK1	18	44
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000852062396	FF	On-Demand	Anodyne	CCR3	26	54
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000852062396	FF	On-Demand	Anodyne	RPA1	44	30
CCN1OC[C@H](N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852062411	FE	On-Demand	Anodyne	GPR119	25	43
CCN1OC[C@H](N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852062412	FE	On-Demand	Anodyne	GPR119	25	43
CCN1OC[C@@H](N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852062413	FE	On-Demand	Anodyne	GPR119	25	43
CCN1OC[C@@H](N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852062414	FE	On-Demand	Anodyne	GPR119	25	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000852062416	GD	On-Demand	Anodyne	ACHE	17	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000852062417	GD	On-Demand	Anodyne	ACHE	17	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000852062418	GD	On-Demand	Anodyne	ACHE	17	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852062419	GD	On-Demand	Anodyne	ACHE	17	41
Cc1nc(CN2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(C)o1	ZINC000852062443	FH	On-Demand	Anodyne	GPR119	31	43
Cc1nc(CN2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(C)o1	ZINC000852062444	FH	On-Demand	Anodyne	GPR119	31	43
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062466	FH	On-Demand	Anodyne	CHRM2	15	42
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062466	FH	On-Demand	Anodyne	DRD2	17	40
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062466	FH	On-Demand	Anodyne	DRD4	29	40
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062466	FH	On-Demand	Anodyne	CHRM3	17	42
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062466	FH	On-Demand	Anodyne	GPR119	44	52
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062467	FH	On-Demand	Anodyne	CHRM2	15	42
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062467	FH	On-Demand	Anodyne	DRD2	17	40
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062467	FH	On-Demand	Anodyne	DRD4	29	40
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062467	FH	On-Demand	Anodyne	CHRM3	17	42
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852062467	FH	On-Demand	Anodyne	GPR119	44	52
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852062533	EE	On-Demand	Anodyne	CCR3	45	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000852062534	EE	On-Demand	Anodyne	CCR3	45	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000852062535	EE	On-Demand	Anodyne	CCR3	45	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000852062536	EE	On-Demand	Anodyne	CCR3	45	33
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cnon3)CC2)C1	ZINC000852062683	EF	On-Demand	Anodyne	GPR119	41	47
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cnon3)CC2)C1	ZINC000852062684	EF	On-Demand	Anodyne	GPR119	41	47
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CCOC(F)F)CC2)C1	ZINC000852062688	EG	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CCOC(F)F)CC2)C1	ZINC000852062689	EG	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cc(C4CC4)no3)CC2)C1	ZINC000852062691	GI	On-Demand	Anodyne	GPR119	33	43
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cc(C4CC4)no3)CC2)C1	ZINC000852062692	GI	On-Demand	Anodyne	GPR119	33	43
NC(=O)[C@@H]1CCCN(CCCNC(=O)NCc2ncccn2)C1	ZINC000852062708	DB	On-Demand	Anodyne	SLC6A1	112	38
NC(=O)[C@@H]1CCCN(CCCNC(=O)NCc2ncccn2)C1	ZINC000852062708	DB	On-Demand	Anodyne	HNMT	41	33
NC(=O)[C@H]1CCCN(CCCNC(=O)NCc2ncccn2)C1	ZINC000852062709	DB	On-Demand	Anodyne	SLC6A1	112	38
NC(=O)[C@H]1CCCN(CCCNC(=O)NCc2ncccn2)C1	ZINC000852062709	DB	On-Demand	Anodyne	HNMT	41	33
COC[C@@H](CN1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)OC	ZINC000852062716	FF	On-Demand	Anodyne	GPR119	22	40
COC[C@@H](CN1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)OC	ZINC000852062717	FF	On-Demand	Anodyne	GPR119	22	40
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)cc1	ZINC000852062733	FD	On-Demand	Clean	MTNR1A	19	47
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)cc1	ZINC000852062733	FD	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)C(C)(C)C)C2)cc1	ZINC000852062733	FD	On-Demand	Clean	PROKR1	60	33
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852062744	GE	On-Demand	Anodyne	CCR3	17	40
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000852062746	GE	On-Demand	Anodyne	CCR3	17	40
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852062747	GE	On-Demand	Anodyne	CCR3	17	40
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852062748	GE	On-Demand	Anodyne	CCR3	17	40
COc1ccc(N2CC[C@H](NC(=O)NCCOC3CCCC3)C2)cc1	ZINC000852062786	EF	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCCOC3CCCC3)C2)cc1	ZINC000852062786	EF	On-Demand	Clean	MTNR1B	15	45
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852062804	GE	On-Demand	Anodyne	TRPM8	19	45
O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852062805	GE	On-Demand	Anodyne	TRPM8	19	45
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852062806	GE	On-Demand	Anodyne	TRPM8	19	45
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852062807	GE	On-Demand	Anodyne	TRPM8	19	45
COC(=O)N(C)CCNC(=O)NCCCN1CCC[C@@H](C(N)=O)C1	ZINC000852062855	EB	On-Demand	Anodyne	SLC6A1	53	36
COC(=O)N(C)CCNC(=O)NCCCN1CCC[C@H](C(N)=O)C1	ZINC000852062856	EB	On-Demand	Anodyne	SLC6A1	53	36
O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000852062862	FD	On-Demand	Anodyne	SLC18A3	43	34
O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000852062863	FD	On-Demand	Anodyne	SLC18A3	43	34
O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)NC[C@H]1CN2CCC[C@H]2CO1	ZINC000852062864	FD	On-Demand	Anodyne	SLC18A3	43	34
O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852062865	FD	On-Demand	Anodyne	SLC18A3	43	34
CC(C)(C)OC(=O)N1CCC(CCCN2CCn3cncc3C2)CC1	ZINC000852062941	EG	On-Demand	Anodyne	GPR119	49	43
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CCc3cnn[nH]3)CC2)C1	ZINC000852063029	EE	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CCc3cnn[nH]3)CC2)C1	ZINC000852063030	EE	On-Demand	Anodyne	GPR119	39	43
CCN1CC[C@@H](N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852063047	FF	On-Demand	Anodyne	GPR119	30	43
CCN1CC[C@@H](N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852063048	FF	On-Demand	Anodyne	GPR119	30	43
CCN1CC[C@H](N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852063049	FF	On-Demand	Anodyne	GPR119	30	43
CCN1CC[C@H](N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852063050	FF	On-Demand	Anodyne	GPR119	30	43
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C[C@@H]3CCC(=O)O3)CC2)C1	ZINC000852063082	FF	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@@H]3CCC(=O)O3)CC2)C1	ZINC000852063083	FF	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C[C@H]3CCC(=O)O3)CC2)C1	ZINC000852063084	FF	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@H]3CCC(=O)O3)CC2)C1	ZINC000852063085	FF	On-Demand	Anodyne	GPR119	28	43
CCN(CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)C	ZINC000852063237	FH	On-Demand	Anodyne	KCNH2	40	38
CCN(CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)C	ZINC000852063237	FH	On-Demand	Anodyne	GLRA1	42	33
CCN(CCNC(=O)NNc1ccc(Cl)cn1)C(C)C	ZINC000852063250	CE	On-Demand	Reactive	F10	30	40
NC(=O)[C@@H]1CCCN(CCCNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852063320	FC	On-Demand	Reactive	SLC6A1	131	38
NC(=O)[C@H]1CCCN(CCCNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852063321	FC	On-Demand	Reactive	SLC6A1	131	38
C[C@@H](CCNC(=O)NCc1ncccn1)NC(=O)OC(C)(C)C	ZINC000852063349	DD	On-Demand	Anodyne	CTSK	17	40
C[C@@H](CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063354	GE	On-Demand	Anodyne	ACE	16	42
C[C@@H](CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063354	GE	On-Demand	Anodyne	CCKAR	25	41
C[C@@H](CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063354	GE	On-Demand	Anodyne	PYGL	31	43
C[C@@H](CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063354	GE	On-Demand	Anodyne	PYGM	28	43
C[C@H](CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063355	GE	On-Demand	Anodyne	ACE	16	42
C[C@H](CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063355	GE	On-Demand	Anodyne	CCKAR	25	41
C[C@H](CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063355	GE	On-Demand	Anodyne	PYGL	31	43
C[C@H](CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063355	GE	On-Demand	Anodyne	PYGM	28	43
C[C@H](CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063356	GE	On-Demand	Anodyne	ACE	16	42
C[C@H](CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063356	GE	On-Demand	Anodyne	CCKAR	25	41
C[C@H](CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063356	GE	On-Demand	Anodyne	PYGL	31	43
C[C@H](CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063356	GE	On-Demand	Anodyne	PYGM	28	43
C[C@@H](CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063357	GE	On-Demand	Anodyne	ACE	16	42
C[C@@H](CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063357	GE	On-Demand	Anodyne	CCKAR	25	41
C[C@@H](CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063357	GE	On-Demand	Anodyne	PYGL	31	43
C[C@@H](CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852063357	GE	On-Demand	Anodyne	PYGM	28	43
CCN(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852063417	FE	On-Demand	Anodyne	ACHE	28	45
CCN(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852063417	FE	On-Demand	Anodyne	HTR4	53	44
CCN(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852063417	FE	On-Demand	Anodyne	SIGMAR1	20	44
CCN(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852063417	FE	On-Demand	Anodyne	SSTR5	55	36
CCN(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852063417	FE	On-Demand	Anodyne	CCR3	29	41
CCN(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852063417	FE	On-Demand	Anodyne	CACNA1I	65	40
CCN(CCNC(=O)N(C)Cc1cnc[nH]1)C(C)C	ZINC000852063496	CD	On-Demand	Anodyne	TAAR1	26	42
CCCC[C@H](C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852063497	CD	On-Demand	Anodyne	AMY2	55	32
CCCC[C@@H](C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852063498	CD	On-Demand	Anodyne	AMY2	55	32
CCCC[C@@H](C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852063499	CD	On-Demand	Anodyne	AMY2	55	32
CCCC[C@H](C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852063500	CD	On-Demand	Anodyne	AMY2	55	32
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(Cc3cnc4ccccc4n3)CC2)C1	ZINC000852063571	GI	On-Demand	Anodyne	GPR119	47	48
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(Cc3cnc4ccccc4n3)CC2)C1	ZINC000852063572	GI	On-Demand	Anodyne	GPR119	47	48
C[C@@H](CCNC(=O)N[C@H]1CCN(C(C)(C)C)C1)NC(=O)OC(C)(C)C	ZINC000852063629	FE	On-Demand	Anodyne	CTSK	15	45
C[C@H](CCNC(=O)N[C@H]1CCN(C(C)(C)C)C1)NC(=O)OC(C)(C)C	ZINC000852063630	FE	On-Demand	Anodyne	CTSK	15	45
C[C@@H](CCNC(=O)N[C@@H]1CCN(C(C)(C)C)C1)NC(=O)OC(C)(C)C	ZINC000852063631	FE	On-Demand	Anodyne	CTSK	15	45
COC(=O)N(C)CCNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852063652	ED	On-Demand	Anodyne	CTSK	18	43
COC(=O)N(C)CCNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852063653	ED	On-Demand	Anodyne	CTSK	18	43
C[C@@H](CCNC(=O)NCc1ccc2occc2c1)NC(=O)OC(C)(C)C	ZINC000852063678	FH	On-Demand	Anodyne	FPR1	43	34
CNS(=O)(=O)c1ccc(CN(Cc2ccccc2OC)OC)cc1	ZINC000852063693	FE	On-Demand	Anodyne	LIMK2	22	42
C[C@@H](CCNC(=O)NCCC1SCCS1)NC(=O)OC(C)(C)C	ZINC000852063697	FF	On-Demand	Anodyne	CTSK	15	41
C[C@@H](CCNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852063702	FF	On-Demand	Mild	PAPA1_CARPA	38	43
C[C@@H](CCNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852063702	FF	On-Demand	Mild	CTSG	22	42
C[C@@H](CCNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852063702	FF	On-Demand	Mild	CTSK	17	45
C[C@@H](CCNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852063702	FF	On-Demand	Mild	CTRB1	21	42
C[C@@H](CCNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852063702	FF	On-Demand	Mild	CELA2A	19	42
C[C@@H](CCNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852063702	FF	On-Demand	Mild	FPR1	40	33
C[C@@H](CCNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852063702	FF	On-Demand	Mild	CTRB_BOVIN	62	42
CCN(CCNC(=O)NCc1cccnc1N1CCCC1)C(C)C	ZINC000852063787	EE	On-Demand	Anodyne	SCN2A	17	42
CCN(CCNC(=O)NCc1cccnc1N1CCCC1)C(C)C	ZINC000852063787	EE	On-Demand	Anodyne	SCN10A	18	42
C#CCOCCN1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852063868	EF	On-Demand	Mild	GPR119	23	40
C#CCOCCN1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852063869	EF	On-Demand	Mild	GPR119	23	40
NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852063895	FB	On-Demand	Reactive	SLC6A1	124	36
NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852063895	FB	On-Demand	Reactive	DRD3	15	46
NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852063895	FB	On-Demand	Reactive	CCR3	32	40
NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852063896	FB	On-Demand	Reactive	SLC6A1	124	36
NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852063896	FB	On-Demand	Reactive	DRD3	15	46
NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852063896	FB	On-Demand	Reactive	CCR3	32	40
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCn3cncc3C2)C1	ZINC000852063899	DE	On-Demand	Anodyne	GPR119	40	40
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCn3cncc3C2)C1	ZINC000852063900	DE	On-Demand	Anodyne	GPR119	40	40
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852063901	FG	On-Demand	Anodyne	SLC18A3	55	54
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852063901	FG	On-Demand	Anodyne	GPR119	45	52
CC(C)(C)OC(=O)N1CC[C@H](C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852063902	FG	On-Demand	Anodyne	SLC18A3	55	54
CC(C)(C)OC(=O)N1CC[C@H](C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852063902	FG	On-Demand	Anodyne	GPR119	45	52
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCc2ccccc21	ZINC000852063913	DD	On-Demand	Anodyne	BIRC3	46	38
O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@@H]1CCc2ccccc21	ZINC000852063914	DD	On-Demand	Anodyne	BIRC3	46	38
C[C@@H](CCNC(=O)N1CC[C@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C	ZINC000852063959	FH	On-Demand	Anodyne	TACR1	40	38
C[C@@H](CCNC(=O)N1CC[C@@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C	ZINC000852063962	FH	On-Demand	Anodyne	TACR1	40	38
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H](C)S1(=O)=O	ZINC000852063997	EB	On-Demand	Anodyne	CHRM2	15	40
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)S1(=O)=O	ZINC000852063998	EB	On-Demand	Anodyne	CHRM2	15	40
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)S1(=O)=O	ZINC000852063999	EB	On-Demand	Anodyne	CHRM2	15	40
C[C@H](CCNC(=O)N[C@H](CO)c1ccc(F)cc1F)NC(=O)OC(C)(C)C	ZINC000852064012	GF	On-Demand	Anodyne	PAPA1_CARPA	32	40
C[C@@H](CCNC(=O)N[C@@H](CO)c1ccc(F)cc1F)NC(=O)OC(C)(C)C	ZINC000852064013	GF	On-Demand	Anodyne	PAPA1_CARPA	32	40
C[C@@H](CCNC(=O)N[C@H](CO)c1ccc(F)cc1F)NC(=O)OC(C)(C)C	ZINC000852064014	GF	On-Demand	Anodyne	PAPA1_CARPA	32	40
CCN(CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852064043	ED	On-Demand	Anodyne	PYGL	35	48
CCN(CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852064043	ED	On-Demand	Anodyne	PYGM	30	48
CCN(CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852064043	ED	On-Demand	Anodyne	TPP2	57	34
CCN(CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852064044	ED	On-Demand	Anodyne	PYGL	35	48
CCN(CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852064044	ED	On-Demand	Anodyne	PYGM	30	48
CCN(CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852064044	ED	On-Demand	Anodyne	TPP2	57	34
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C(C)C)C2)cc1	ZINC000852064050	ED	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C(C)C)C2)cc1	ZINC000852064050	ED	On-Demand	Clean	MCHR1	15	50
N#Cc1ccc(CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1	ZINC000852064166	ED	On-Demand	Mild	GPBAR1	31	43
N#Cc1ccc(CCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852064167	ED	On-Demand	Mild	GPBAR1	31	43
N#Cc1ccc(CCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1	ZINC000852064168	ED	On-Demand	Mild	GPBAR1	31	43
N#Cc1ccc(CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852064169	ED	On-Demand	Mild	GPBAR1	31	43
Cc1nc(CN2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)co1	ZINC000852064223	EG	On-Demand	Anodyne	GPR119	38	45
Cc1nc(CN2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)co1	ZINC000852064224	EG	On-Demand	Anodyne	GPR119	38	45
CCN(CCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1)C(C)C	ZINC000852064300	FG	On-Demand	Anodyne	ACKR3	51	32
CCN(CCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1)C(C)C	ZINC000852064302	FG	On-Demand	Anodyne	ACKR3	51	32
NC(=O)[C@@](O)(CN1CC[C@@H](n2cc(Cl)cn2)C1)c1ccccc1	ZINC000852064361	ED	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@@](O)(CN1CC[C@H](n2cc(Cl)cn2)C1)c1ccccc1	ZINC000852064363	ED	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@](O)(CN1CC[C@H](n2cc(Cl)cn2)C1)c1ccccc1	ZINC000852064365	ED	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@](O)(CN1CC[C@@H](n2cc(Cl)cn2)C1)c1ccccc1	ZINC000852064367	ED	On-Demand	Anodyne	CYP2J2	45	31
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(CC3(O)CCSCC3)CC2)C1	ZINC000852064499	GG	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(CC3(O)CCSCC3)CC2)C1	ZINC000852064502	GG	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@H](O)c3ccccn3)CC2)C1	ZINC000852064506	GG	On-Demand	Anodyne	GPR119	52	56
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C[C@@H](O)c3ccccn3)CC2)C1	ZINC000852064509	GG	On-Demand	Anodyne	GPR119	52	56
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C[C@H](O)c3ccccn3)CC2)C1	ZINC000852064511	GG	On-Demand	Anodyne	GPR119	52	56
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C[C@@H](O)c3ccccn3)CC2)C1	ZINC000852064513	GG	On-Demand	Anodyne	GPR119	52	56
CCN(CCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1)C(C)C	ZINC000852064539	FH	On-Demand	Anodyne	P2RY14	47	36
NC(=O)[C@H]1CCCN(CCCNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852064560	GD	On-Demand	Anodyne	HTR2A	16	40
NC(=O)[C@H]1CCCN(CCCNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852064560	GD	On-Demand	Anodyne	SLC6A1	121	40
NC(=O)[C@H]1CCCN(CCCNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852064560	GD	On-Demand	Anodyne	CCR3	29	40
NC(=O)[C@H]1CCCN(CCCNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852064562	GD	On-Demand	Anodyne	HTR2A	16	40
NC(=O)[C@H]1CCCN(CCCNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852064562	GD	On-Demand	Anodyne	SLC6A1	121	40
NC(=O)[C@H]1CCCN(CCCNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852064562	GD	On-Demand	Anodyne	CCR3	29	40
NC(=O)[C@@H]1CCCN(CCCNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852064565	GD	On-Demand	Anodyne	HTR2A	16	40
NC(=O)[C@@H]1CCCN(CCCNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852064565	GD	On-Demand	Anodyne	SLC6A1	121	40
NC(=O)[C@@H]1CCCN(CCCNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852064565	GD	On-Demand	Anodyne	CCR3	29	40
NC(=O)[C@@H]1CCCN(CCCNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852064567	GD	On-Demand	Anodyne	HTR2A	16	40
NC(=O)[C@@H]1CCCN(CCCNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852064567	GD	On-Demand	Anodyne	SLC6A1	121	40
NC(=O)[C@@H]1CCCN(CCCNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852064567	GD	On-Demand	Anodyne	CCR3	29	40
CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCn3cncc3C2)CC1	ZINC000852064581	FD	On-Demand	Anodyne	GPR119	48	41
CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCn3cncc3C2)CC1	ZINC000852064582	FD	On-Demand	Anodyne	GPR119	48	41
COc1ccc([C@H](Cc2ccccc2)NCCC(OC)OC)cc1	ZINC000852064622	EH	On-Demand	Anodyne	ADRB3	21	53
COc1ccc([C@@H](Cc2ccccc2)NCCC(OC)OC)cc1	ZINC000852064623	EH	On-Demand	Anodyne	ADRB3	21	53
CCN(CCNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)C(=O)OC(C)(C)C	ZINC000852064656	GE	On-Demand	Anodyne	SSTR2	44	42
CCN(CCNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)C(=O)OC(C)(C)C	ZINC000852064657	GE	On-Demand	Anodyne	SSTR2	44	42
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC(c2ccon2)CC1	ZINC000852064663	ED	On-Demand	Anodyne	SMO	34	42
O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC(c2ccon2)CC1	ZINC000852064664	ED	On-Demand	Anodyne	SMO	34	42
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(c2ccon2)CC1	ZINC000852064665	ED	On-Demand	Anodyne	SMO	34	42
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC(c2ccon2)CC1	ZINC000852064666	ED	On-Demand	Anodyne	SMO	34	42
CN1CCO[C@@H](CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852064756	GE	On-Demand	Anodyne	CCR3	25	42
CN1CCO[C@H](CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852064759	GE	On-Demand	Anodyne	CCR3	25	42
CC(C)(C)OC(=O)NCCC[C@@H](NCc1cccc(F)n1)c1ccccc1	ZINC000852064780	FI	On-Demand	Anodyne	C3AR1	49	33
CC(C)(C)OC(=O)NCCC[C@H](NCc1cccc(F)n1)c1ccccc1	ZINC000852064782	FI	On-Demand	Anodyne	C3AR1	49	33
Cc1cc(CN[C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)nc(C)n1	ZINC000852064792	GI	On-Demand	Anodyne	C3AR1	44	32
Cc1cc(CN[C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)nc(C)n1	ZINC000852064793	GI	On-Demand	Anodyne	C3AR1	44	32
CC(C)(C)OC(=O)NCCC[C@@H](NC[C@H]1CNC(=O)C1)c1ccccc1	ZINC000852064796	FF	On-Demand	Anodyne	MAN1B1	43	32
CC(C)(C)OC(=O)NCCC[C@@H](NC[C@@H]1CNC(=O)C1)c1ccccc1	ZINC000852064797	FF	On-Demand	Anodyne	MAN1B1	43	32
CC(C)(C)OC(=O)NCCC[C@H](NC[C@H]1CNC(=O)C1)c1ccccc1	ZINC000852064799	FF	On-Demand	Anodyne	MAN1B1	43	32
CC(C)(C)OC(=O)NCCC[C@H](NC[C@@H]1CNC(=O)C1)c1ccccc1	ZINC000852064800	FF	On-Demand	Anodyne	MAN1B1	43	32
CCN(CCNC(=O)NCCc1cn(C)c2ccccc12)C(C)C	ZINC000852064843	EF	On-Demand	Anodyne	MTNR1A	16	43
CCN(CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852064848	EE	On-Demand	Clean	MTNR1A	15	45
CCN(CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852064849	EE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCCS(=O)(=O)NC(C)C)C2)cc1	ZINC000852064930	GC	On-Demand	Clean	MTNR1A	15	44
C#CCOCCN1CCC(Cc2ccccc2C(=O)OC)CC1	ZINC000852065025	DE	On-Demand	Mild	HTR1A	22	40
C#CCOCCN1CCC(Cc2ccccc2C(=O)OC)CC1	ZINC000852065025	DE	On-Demand	Mild	DRD2	21	40
C#CCOCCN1CCC(Cc2ccccc2C(=O)OC)CC1	ZINC000852065025	DE	On-Demand	Mild	SLC6A1	68	36
C#CCOCCN1CCC(Cc2ccccc2C(=O)OC)CC1	ZINC000852065025	DE	On-Demand	Mild	HRH1	21	40
C#CCOCCN1CCC(Cc2ccccc2C(=O)OC)CC1	ZINC000852065025	DE	On-Demand	Mild	HTR4	87	39
C#CCOCCN1CCC(Cc2ccccc2C(=O)OC)CC1	ZINC000852065025	DE	On-Demand	Mild	CCR3	31	40
O=C(CCN1CCn2cncc2C1)OCc1ccccc1	ZINC000852065027	CD	On-Demand	Anodyne	PREP	44	35
O=C(CCN1CCn2cncc2C1)OCc1ccccc1	ZINC000852065027	CD	On-Demand	Anodyne	SLC12A5	42	32
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CCn3cncc3C2)CC1	ZINC000852065079	EG	On-Demand	Anodyne	CACNA1I	50	34
CCN(CCNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)C(C)C	ZINC000852065178	EF	On-Demand	Anodyne	CCR5	46	38
CCN(CCNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)C(C)C	ZINC000852065178	EF	On-Demand	Anodyne	AMY2	43	29
CCN(CCNC(=O)N1CC[C@H](N(C)c2ccccc2)C1)C(C)C	ZINC000852065179	EF	On-Demand	Anodyne	CCR5	46	38
CCN(CCNC(=O)N1CC[C@H](N(C)c2ccccc2)C1)C(C)C	ZINC000852065179	EF	On-Demand	Anodyne	AMY2	43	29
CCN(CCNC(=O)NCCc1ccnc2ccccc12)C(C)C	ZINC000852065186	EF	On-Demand	Anodyne	MTNR1A	36	43
CCN(CCNC(=O)NCCc1ccnc2ccccc12)C(C)C	ZINC000852065186	EF	On-Demand	Anodyne	MTNR1B	24	43
Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(N2CCCCC2)nc1	ZINC000852065257	JH	On-Demand	Anodyne	DGAT1	36	40
CCn1nc(C)c(CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1C	ZINC000852065285	FE	On-Demand	Anodyne	P2RX7	15	45
CC(C)(C)OC(=O)N(CCNC(=O)NCC1CCN(CC2CC2)CC1)C1CC1	ZINC000852065289	GF	On-Demand	Anodyne	CACNA1I	44	35
Cc1cccc(C(=O)NNC(=O)CN2CCn3cncc3C2)c1	ZINC000852065376	DC	On-Demand	Reactive	KCNK3	51	37
Cc1cccc(C(=O)NNC(=O)CN2CCn3cncc3C2)c1	ZINC000852065376	DC	On-Demand	Reactive	KCNK9	41	36
CC(C)(C)OC(=O)NCCCCCCCN1CCn2cncc2C1	ZINC000852065392	EG	On-Demand	Anodyne	DRD2	21	50
CC(C)(C)OC(=O)NCCCCCCCN1CCn2cncc2C1	ZINC000852065392	EG	On-Demand	Anodyne	DRD3	43	37
O=C1c2ccccc2C(=O)N1CCCCCCN1CCn2cncc2C1	ZINC000852065409	FF	On-Demand	Anodyne	HTR1A	26	55
O=C1c2ccccc2C(=O)N1CCCCCCN1CCn2cncc2C1	ZINC000852065409	FF	On-Demand	Anodyne	HTR7	25	45
O=C(NCCOC1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852065429	EG	On-Demand	Anodyne	ADRB1	24	43
CCN(CCNC(=O)N1CCc2cc(OC)ccc2C1)C(C)C	ZINC000852065505	DE	On-Demand	Anodyne	DRD4	42	32
CCN(CCNC(=O)N1CCc2cc(OC)ccc2C1)C(C)C	ZINC000852065505	DE	On-Demand	Anodyne	DRD5	15	41
CCN(CCNC(=O)N1CCc2cc(OC)ccc2C1)C(C)C	ZINC000852065505	DE	On-Demand	Anodyne	MTNR1A	49	44
CCN(CCNC(=O)N1CCc2cc(OC)ccc2C1)C(C)C	ZINC000852065505	DE	On-Demand	Anodyne	MTNR1B	43	44
CCN(CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C(C)C	ZINC000852065562	FF	On-Demand	Anodyne	AMY2	46	33
CCN(CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C(C)C	ZINC000852065562	FF	On-Demand	Anodyne	SSTR3	32	44
C[C@@H](CCNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852065625	GG	On-Demand	Anodyne	FPR1	45	37
C[C@@H](CCNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852065625	GG	On-Demand	Anodyne	SFRP1	43	34
C[C@@H](CCNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852065625	GG	On-Demand	Anodyne	WNT3	40	31
C[C@@H](CCNC(=O)N1CC[C@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852065632	GG	On-Demand	Anodyne	FPR1	45	37
C[C@@H](CCNC(=O)N1CC[C@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852065632	GG	On-Demand	Anodyne	SFRP1	43	34
C[C@@H](CCNC(=O)N1CC[C@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852065632	GG	On-Demand	Anodyne	WNT3	40	31
C=CCCNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852065642	CE	On-Demand	Mild	CTSK	18	44
C=CCCNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852065643	CE	On-Demand	Mild	CTSK	18	44
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)OC)C2)cc1	ZINC000852065676	DD	On-Demand	Clean	MTNR1A	21	47
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)OC)C2)cc1	ZINC000852065676	DD	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)OC)C2)cc1	ZINC000852065677	DD	On-Demand	Clean	MTNR1A	21	47
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)OC)C2)cc1	ZINC000852065677	DD	On-Demand	Clean	MTNR1B	17	47
O=C(NCCOC1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852065709	EG	On-Demand	Anodyne	ADRB1	24	43
CCN(CCNC(=O)NCC1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C	ZINC000852065710	GF	On-Demand	Anodyne	CACNA1I	48	34
CCN(CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(=O)OC(C)(C)C	ZINC000852065715	GE	On-Demand	Anodyne	PYGL	30	43
CCN(CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(=O)OC(C)(C)C	ZINC000852065715	GE	On-Demand	Anodyne	PYGM	27	43
CCN(CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(=O)OC(C)(C)C	ZINC000852065716	GE	On-Demand	Anodyne	PYGL	30	43
CCN(CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(=O)OC(C)(C)C	ZINC000852065716	GE	On-Demand	Anodyne	PYGM	27	43
CC(C)(C)OC(=O)N1CCN(CCN2CCn3cncc3C2)CC1	ZINC000852065800	ED	On-Demand	Anodyne	GPR119	37	40
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccc(OC)cc2C2(CC2)C1	ZINC000852065815	FG	On-Demand	Anodyne	ADAM9	42	35
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccc(OC)cc2C2(CC2)C1	ZINC000852065816	FG	On-Demand	Anodyne	ADAM9	42	35
C[C@@H](CCNC(=O)NCC(F)(F)C(C)(C)C)NC(=O)OC(C)(C)C	ZINC000852065874	FG	On-Demand	Anodyne	CTSK	16	41
CC[C@@H](C)CCNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852065879	DG	On-Demand	Anodyne	PAPA1_CARPA	32	41
CC[C@@H](C)CCNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852065879	DG	On-Demand	Anodyne	CTSK	22	49
CC[C@@H](C)CCNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852065879	DG	On-Demand	Anodyne	ECE1	27	41
CC[C@@H](C)CCNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852065880	DG	On-Demand	Anodyne	PAPA1_CARPA	32	41
CC[C@@H](C)CCNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852065880	DG	On-Demand	Anodyne	CTSK	22	49
CC[C@@H](C)CCNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852065880	DG	On-Demand	Anodyne	ECE1	27	41
COc1cccc(OC)c1CNC(=O)NCCN(C(=O)OC(C)(C)C)C1CC1	ZINC000852065977	GF	On-Demand	Anodyne	MBTPS1	40	32
CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@H](C)[C@H](O)c1ccccc1	ZINC000852065980	FF	On-Demand	Anodyne	NPY5R	20	43
CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@H](C)[C@H](O)c1ccccc1	ZINC000852065980	FF	On-Demand	Anodyne	LIMK2	30	41
CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@H](C)[C@@H](O)c1ccccc1	ZINC000852065981	FF	On-Demand	Anodyne	NPY5R	20	43
CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@H](C)[C@@H](O)c1ccccc1	ZINC000852065981	FF	On-Demand	Anodyne	LIMK2	30	41
CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@@H](C)[C@@H](O)c1ccccc1	ZINC000852065982	FF	On-Demand	Anodyne	NPY5R	20	43
CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@@H](C)[C@@H](O)c1ccccc1	ZINC000852065982	FF	On-Demand	Anodyne	LIMK2	30	41
CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@@H](C)[C@H](O)c1ccccc1	ZINC000852065983	FF	On-Demand	Anodyne	NPY5R	20	43
CCN(Cc1ccc(S(=O)(=O)NC)cc1)[C@@H](C)[C@H](O)c1ccccc1	ZINC000852065983	FF	On-Demand	Anodyne	LIMK2	30	41
CC(C)(C)OC(=O)N(CCNC(=O)N1CCC(c2ccon2)CC1)C1CC1	ZINC000852066002	GF	On-Demand	Anodyne	SMO	33	40
CC[C@@H](NC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)C1CC1	ZINC000852066076	DF	On-Demand	Anodyne	CTSK	17	41
CC[C@@H](NC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)C1CC1	ZINC000852066077	DF	On-Demand	Anodyne	CTSK	17	41
CCN(CCNC(=O)NCC1CCN(CC2CC2)CC1)C(C)C	ZINC000852066096	DE	On-Demand	Anodyne	CACNA1I	52	35
O=C(NCCOC1CCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852066150	EE	On-Demand	Anodyne	ADRB1	18	42
O=C(NCCOC1CCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852066154	EE	On-Demand	Anodyne	ADRB1	18	42
COC(=O)c1ccc(CNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852066155	GF	On-Demand	Anodyne	BDKRB1	20	41
COC(=O)c1ccc(CNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852066156	GF	On-Demand	Anodyne	BDKRB1	20	41
C[C@@H](CCNC(=O)NCC1=CCCC1)NC(=O)OC(C)(C)C	ZINC000852066188	DF	On-Demand	Anodyne	FPR1	38	41
CCn1nc(C)c(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1C	ZINC000852066226	GG	On-Demand	Anodyne	P2RX7	28	49
O=C(NCCOC1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852066227	FG	On-Demand	Anodyne	ADRB1	29	45
O=C(NCCOC1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852066227	FG	On-Demand	Anodyne	ADRB3	25	41
O=C(NCCOC1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852066232	FG	On-Demand	Anodyne	ADRB1	29	45
O=C(NCCOC1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852066232	FG	On-Demand	Anodyne	ADRB3	25	41
CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1	ZINC000852066242	EH	On-Demand	Bother	COLA	105	40
CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1	ZINC000852066243	EH	On-Demand	Bother	COLA	105	40
CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1	ZINC000852066245	EH	On-Demand	Bother	COLA	105	40
CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1	ZINC000852066246	EH	On-Demand	Bother	COLA	105	40
CCn1nc(C)c(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)c1C	ZINC000852066314	FG	On-Demand	Anodyne	P2RX7	17	42
CCN(CCNC(=O)NCc1cccnc1N1CCCC1)C(=O)OC(C)(C)C	ZINC000852066536	GF	On-Demand	Anodyne	SCN2A	17	42
CCN(CCNC(=O)NCc1cccnc1N1CCCC1)C(=O)OC(C)(C)C	ZINC000852066536	GF	On-Demand	Anodyne	SCN10A	27	42
CC(C)(C)OC(=O)NCCCCCCN1CCn2cncc2C1	ZINC000852066548	DF	On-Demand	Anodyne	DRD2	21	50
CC(C)(C)OC(=O)NCCCCCCN1CCn2cncc2C1	ZINC000852066548	DF	On-Demand	Anodyne	DRD3	43	37
C[C@@H](CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066666	GF	On-Demand	Anodyne	DRD2	18	42
C[C@@H](CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066666	GF	On-Demand	Anodyne	PGC	52	37
C[C@@H](CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066666	GF	On-Demand	Anodyne	CCKAR	44	41
C[C@@H](CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066666	GF	On-Demand	Anodyne	CTSK	16	41
C[C@@H](CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066666	GF	On-Demand	Anodyne	REN	52	40
C[C@@H](CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066666	GF	On-Demand	Anodyne	FPR1	51	39
C[C@@H](CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066668	GF	On-Demand	Anodyne	DRD2	18	42
C[C@@H](CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066668	GF	On-Demand	Anodyne	PGC	52	37
C[C@@H](CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066668	GF	On-Demand	Anodyne	CCKAR	44	41
C[C@@H](CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066668	GF	On-Demand	Anodyne	CTSK	16	41
C[C@@H](CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066668	GF	On-Demand	Anodyne	REN	52	40
C[C@@H](CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852066668	GF	On-Demand	Anodyne	FPR1	51	39
C[C@@H](CCNC(=O)N1CC2CC1(c1ccccc1)C2)NC(=O)OC(C)(C)C	ZINC000852066669	FH	On-Demand	Anodyne	CCKAR	41	36
C[C@@H](CCNC(=O)N1CC2CC1(c1ccccc1)C2)NC(=O)OC(C)(C)C	ZINC000852066669	FH	On-Demand	Anodyne	CTSK	18	41
C[C@@H](CCNC(=O)N1CC2CC1(c1ccccc1)C2)NC(=O)OC(C)(C)C	ZINC000852066669	FH	On-Demand	Anodyne	FPR1	48	38
CC[C@H](C)N(C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852066672	EE	On-Demand	Clean	MTNR1A	15	45
CCN(CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)C	ZINC000852066723	FG	On-Demand	Anodyne	SCD1	16	41
CCN(CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)C	ZINC000852066723	FG	On-Demand	Anodyne	SCD	28	41
CCN(CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)C	ZINC000852066723	FG	On-Demand	Anodyne	TRPM8	15	49
C[C@@H](CCNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852066724	GF	On-Demand	Anodyne	PGC	49	35
C[C@@H](CCNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852066724	GF	On-Demand	Anodyne	SCN2A	17	42
C[C@@H](CCNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852066724	GF	On-Demand	Anodyne	REN	55	36
C[C@@H](CCNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852066724	GF	On-Demand	Anodyne	SCN10A	31	42
C[C@@H](CCNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852066724	GF	On-Demand	Anodyne	FPR1	46	37
C[C@@H](CCNC(=O)NCCc1ccnc2ccccc12)NC(=O)OC(C)(C)C	ZINC000852066738	GG	On-Demand	Anodyne	CCKAR	44	36
C[C@@H](CCNC(=O)NCCc1ccnc2ccccc12)NC(=O)OC(C)(C)C	ZINC000852066738	GG	On-Demand	Anodyne	MTNR1A	21	42
C[C@@H](CCNC(=O)NCCc1ccnc2ccccc12)NC(=O)OC(C)(C)C	ZINC000852066738	GG	On-Demand	Anodyne	FPR1	40	35
CO[C@@H](C)CCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852066766	GG	On-Demand	Anodyne	GPR119	27	42
CO[C@@H](C)CCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852066768	GG	On-Demand	Anodyne	GPR119	27	42
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA2	94	44
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA1	82	44
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA7	66	44
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA13	20	41
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA4	63	44
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA14	45	39
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA12	65	41
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA9	73	44
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CAH_METTE	24	41
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	NCE103	22	44
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	CA15	19	41
CN(Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O	ZINC000852066973	CD	On-Demand	Anodyne	A6YCJ1_9METZ	26	41
C[C@@H](CCNC(=O)NCCC(C)(C)F)NC(=O)OC(C)(C)C	ZINC000852066985	DF	On-Demand	Anodyne	CTSK	18	45
CO[C@@H](C)CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852067132	EF	On-Demand	Anodyne	ADRB3	20	40
CO[C@@H](C)CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852067133	EF	On-Demand	Anodyne	ADRB3	20	40
C=C[C@H](CO)NC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852067233	DD	On-Demand	Mild	CTSK	20	42
C=C[C@H](CO)NC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852067234	DD	On-Demand	Mild	CTSK	20	42
C[C@@H](CCNC(=O)NCCc1noc2ccccc12)NC(=O)OC(C)(C)C	ZINC000852067259	GF	On-Demand	Anodyne	FPR1	40	33
C[C@@H](CCNC(=O)NCCc1ccoc1)NC(=O)OC(C)(C)C	ZINC000852067272	EE	On-Demand	Anodyne	CTSK	19	46
C[C@@H](CCNC(=O)NCCc1ccoc1)NC(=O)OC(C)(C)C	ZINC000852067272	EE	On-Demand	Anodyne	FPR1	40	34
CCN(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852067278	EE	On-Demand	Anodyne	SIGMAR1	18	40
CCN(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852067278	EE	On-Demand	Anodyne	MBTPS1	54	35
CCN(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852067280	EE	On-Demand	Anodyne	SIGMAR1	18	40
CCN(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852067280	EE	On-Demand	Anodyne	MBTPS1	54	35
CO[C@@H](C)CNC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852067292	DD	On-Demand	Anodyne	CTSK	17	43
CO[C@@H](C)CNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852067293	DD	On-Demand	Anodyne	CTSK	17	43
CO[C@@H](C)CCNC(=O)NNc1ccc(Cl)cn1	ZINC000852067381	CD	On-Demand	Reactive	F10	47	30
C[C@@H](CCNC(=O)NCC1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C	ZINC000852067476	GF	On-Demand	Anodyne	CACNA1I	58	36
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccccc1	ZINC000852067540	CC	On-Demand	Anodyne	CHRM3	16	42
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1[C@H](CO)C2)c1ccccc1	ZINC000852067541	CC	On-Demand	Anodyne	CHRM3	16	42
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccccc1	ZINC000852067542	CC	On-Demand	Anodyne	CHRM3	16	42
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1[C@H](CO)C2)c1ccccc1	ZINC000852067543	CC	On-Demand	Anodyne	CHRM3	16	42
CCN(CCNC(=O)N1CCC(c2ccon2)CC1)C(C)C	ZINC000852067549	DE	On-Demand	Anodyne	SMO	34	41
C[C@@H](CCNC(=O)NCCCc1ccco1)NC(=O)OC(C)(C)C	ZINC000852067577	EF	On-Demand	Anodyne	CTSK	15	42
NC(=O)[C@@](O)(CN[C@H](CO)C1CCCC1)c1ccccc1	ZINC000852067578	CC	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@@](O)(CN[C@@H](CO)C1CCCC1)c1ccccc1	ZINC000852067579	CC	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@](O)(CN[C@@H](CO)C1CCCC1)c1ccccc1	ZINC000852067580	CC	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@](O)(CN[C@H](CO)C1CCCC1)c1ccccc1	ZINC000852067581	CC	On-Demand	Anodyne	AMY2	48	33
O=c1cc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c2ccc(O)cc2o1	ZINC000852067683	GE	On-Demand	Anodyne	HSD17B3	23	42
O=c1cc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c2ccc(O)cc2o1	ZINC000852067684	GE	On-Demand	Anodyne	HSD17B3	23	42
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)NNC(=O)c1ccccc1	ZINC000852067703	GC	On-Demand	Reactive	DRD4	22	42
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)NNC(=O)c1ccccc1	ZINC000852067704	GC	On-Demand	Reactive	DRD4	22	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3F)C2)cc1	ZINC000852067710	FG	On-Demand	Clean	P2RX7	43	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3F)C2)cc1	ZINC000852067710	FG	On-Demand	Clean	CCR3	34	43
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3F)C2)cc1	ZINC000852067710	FG	On-Demand	Clean	MTNR1A	18	46
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3F)C2)cc1	ZINC000852067710	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3F)C2)cc1	ZINC000852067710	FG	On-Demand	Clean	MCHR1	20	45
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067721	FE	On-Demand	Anodyne	LTA4H	34	45
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067721	FE	On-Demand	Anodyne	SIGMAR1	19	42
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067721	FE	On-Demand	Anodyne	SSTR5	70	38
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067721	FE	On-Demand	Anodyne	UTS2R	21	43
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067721	FE	On-Demand	Anodyne	MLNR	41	33
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067721	FE	On-Demand	Anodyne	MCHR1	35	43
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067722	FE	On-Demand	Anodyne	LTA4H	34	45
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067722	FE	On-Demand	Anodyne	SIGMAR1	19	42
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067722	FE	On-Demand	Anodyne	SSTR5	70	38
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067722	FE	On-Demand	Anodyne	UTS2R	21	43
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067722	FE	On-Demand	Anodyne	MLNR	41	33
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067722	FE	On-Demand	Anodyne	MCHR1	35	43
O=C1CCC2=C(CCN(C(=O)NCc3cc(F)ccc3F)C2)N1	ZINC000852067762	DE	On-Demand	Anodyne	DPP4	15	40
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C3CCCC3)C2)cc1	ZINC000852067775	FE	On-Demand	Clean	MTNR1A	21	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C3CCCC3)C2)cc1	ZINC000852067775	FE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C3CCCC3)C2)cc1	ZINC000852067775	FE	On-Demand	Clean	MCHR1	19	51
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cc(F)ccc1F	ZINC000852067788	GF	On-Demand	Clean	P2RX7	49	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cc(F)ccc1F	ZINC000852067788	GF	On-Demand	Clean	CCR3	29	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cc(F)ccc1F	ZINC000852067788	GF	On-Demand	Clean	DPP4	18	44
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cc(F)ccc1F	ZINC000852067788	GF	On-Demand	Clean	STAT6	26	40
O=C(Cn1ccc2ccccc21)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852067813	GE	On-Demand	Reactive	CACNA1I	47	34
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cc(F)ccc2F)O1	ZINC000852067834	EC	On-Demand	Reactive	P2RX7	71	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cc(F)ccc2F)O1	ZINC000852067835	EC	On-Demand	Reactive	P2RX7	71	41
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)NNC(=O)c1ccc(F)cc1	ZINC000852067850	GC	On-Demand	Reactive	SSTR5	28	40
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)NNC(=O)c1ccc(F)cc1	ZINC000852067850	GC	On-Demand	Reactive	CCR3	15	41
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)NNC(=O)c1ccc(F)cc1	ZINC000852067851	GC	On-Demand	Reactive	SSTR5	28	40
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)NNC(=O)c1ccc(F)cc1	ZINC000852067851	GC	On-Demand	Reactive	CCR3	15	41
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)NOCc1ccccc1	ZINC000852067870	FD	On-Demand	Anodyne	DRD4	20	41
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)NOCc1ccccc1	ZINC000852067870	FD	On-Demand	Anodyne	SIGMAR1	15	40
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)NOCc1ccccc1	ZINC000852067871	FD	On-Demand	Anodyne	DRD4	20	41
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)NOCc1ccccc1	ZINC000852067871	FD	On-Demand	Anodyne	SIGMAR1	15	40
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C(C)(C)C)cs3)C2)cc1	ZINC000852067874	GH	On-Demand	Clean	NPBWR1	46	32
COc1ccc2c(CN3CC[C@H](Nc4ccc5nccn5n4)C3)cc(=O)oc2c1	ZINC000852067876	GF	On-Demand	Anodyne	CYP19A1	15	49
COc1ccc2c(CN3CC[C@H](Nc4ccc5nccn5n4)C3)cc(=O)oc2c1	ZINC000852067876	GF	On-Demand	Anodyne	CYP11B1	18	44
COc1ccc2c(CN3CC[C@H](Nc4ccc5nccn5n4)C3)cc(=O)oc2c1	ZINC000852067876	GF	On-Demand	Anodyne	SSTR5	54	36
COc1ccc2c(CN3CC[C@H](Nc4ccc5nccn5n4)C3)cc(=O)oc2c1	ZINC000852067876	GF	On-Demand	Anodyne	MCHR1	19	40
COc1ccc2c(CN3CC[C@@H](Nc4ccc5nccn5n4)C3)cc(=O)oc2c1	ZINC000852067877	GF	On-Demand	Anodyne	CYP19A1	15	49
COc1ccc2c(CN3CC[C@@H](Nc4ccc5nccn5n4)C3)cc(=O)oc2c1	ZINC000852067877	GF	On-Demand	Anodyne	CYP11B1	18	44
COc1ccc2c(CN3CC[C@@H](Nc4ccc5nccn5n4)C3)cc(=O)oc2c1	ZINC000852067877	GF	On-Demand	Anodyne	SSTR5	54	36
COc1ccc2c(CN3CC[C@@H](Nc4ccc5nccn5n4)C3)cc(=O)oc2c1	ZINC000852067877	GF	On-Demand	Anodyne	MCHR1	19	40
N#Cc1ccc(OCCCN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067893	FF	On-Demand	Mild	HRH3	27	49
N#Cc1ccc(OCCCN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067893	FF	On-Demand	Mild	MEN1	48	42
N#Cc1ccc(OCCCN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067896	FF	On-Demand	Mild	HRH3	27	49
N#Cc1ccc(OCCCN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067896	FF	On-Demand	Mild	MEN1	48	42
CC(=O)N1CCN(C(=O)[C@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)CC1	ZINC000852067897	ID	On-Demand	Anodyne	Q6PRC7_IXORI	46	33
CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)CC1	ZINC000852067899	ID	On-Demand	Anodyne	Q6PRC7_IXORI	46	33
O[C@@H](CN1CC[C@@H](Nc2ccc3nccn3n2)C1)c1cccc(C(F)(F)F)c1	ZINC000852067904	GF	On-Demand	Anodyne	CCR2	47	40
O[C@@H](CN1CC[C@H](Nc2ccc3nccn3n2)C1)c1cccc(C(F)(F)F)c1	ZINC000852067905	GF	On-Demand	Anodyne	CCR2	47	40
O[C@H](CN1CC[C@@H](Nc2ccc3nccn3n2)C1)c1cccc(C(F)(F)F)c1	ZINC000852067907	GF	On-Demand	Anodyne	CCR2	47	40
O[C@H](CN1CC[C@H](Nc2ccc3nccn3n2)C1)c1cccc(C(F)(F)F)c1	ZINC000852067908	GF	On-Demand	Anodyne	CCR2	47	40
NC(=O)[C@](O)(CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccc1	ZINC000852067928	GD	On-Demand	Anodyne	HRH1	38	40
NC(=O)[C@](O)(CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccc1	ZINC000852067928	GD	On-Demand	Anodyne	CHRM3	26	46
NC(=O)[C@](O)(CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccc1	ZINC000852067928	GD	On-Demand	Anodyne	CCR3	38	40
NC(=O)[C@@](O)(CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccc1	ZINC000852067929	GD	On-Demand	Anodyne	HRH1	38	40
NC(=O)[C@@](O)(CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccc1	ZINC000852067929	GD	On-Demand	Anodyne	CHRM3	26	46
NC(=O)[C@@](O)(CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccc1	ZINC000852067929	GD	On-Demand	Anodyne	CCR3	38	40
CCC(CC)(CNC(=O)NCCS(=O)(=O)CC)c1ccc(F)cc1	ZINC000852067931	FF	On-Demand	Anodyne	CACNA1G	41	48
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067944	GD	On-Demand	Anodyne	ABCB1	25	40
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067945	GD	On-Demand	Anodyne	ABCB1	25	40
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067946	GD	On-Demand	Anodyne	ABCB1	25	40
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852067947	GD	On-Demand	Anodyne	ABCB1	25	40
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)Nc1ccc(O)cc1	ZINC000852068009	FD	On-Demand	Anodyne	AURKB	25	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CCC[C@H]2C)O1	ZINC000852068022	FD	On-Demand	Reactive	DRD4	18	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CCC[C@H]2C)O1	ZINC000852068023	FD	On-Demand	Reactive	DRD4	18	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CCC[C@@H]2C)O1	ZINC000852068024	FD	On-Demand	Reactive	DRD4	18	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CCC[C@@H]2C)O1	ZINC000852068025	FD	On-Demand	Reactive	DRD4	18	40
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1	ZINC000852068047	GC	On-Demand	Reactive	DRD4	23	45
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1	ZINC000852068047	GC	On-Demand	Reactive	SSTR5	43	34
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1	ZINC000852068047	GC	On-Demand	Reactive	CCR2	25	43
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1	ZINC000852068048	GC	On-Demand	Reactive	DRD4	23	45
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1	ZINC000852068048	GC	On-Demand	Reactive	SSTR5	43	34
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1	ZINC000852068048	GC	On-Demand	Reactive	CCR2	25	43
FCc1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852068050	EF	On-Demand	Anodyne	SSTR5	56	36
FCc1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1	ZINC000852068051	EF	On-Demand	Anodyne	SSTR5	56	36
O=C(Cn1ccc2ccccc21)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852068079	GE	On-Demand	Reactive	SCN2A	17	41
O=C(Cn1ccc2ccccc21)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852068079	GE	On-Demand	Reactive	SCN10A	18	42
C[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852068093	EI	On-Demand	Anodyne	CCKAR	20	43
C[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852068095	EI	On-Demand	Anodyne	CCKAR	20	43
C[C@H]1CCC[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852068096	EI	On-Demand	Anodyne	CCKAR	20	43
O=C(Cc1ccccc1)OCCN1CC[C@H](Nc2ccc3nccn3n2)C1	ZINC000852068103	FE	On-Demand	Anodyne	LTA4H	24	50
O=C(Cc1ccccc1)OCCN1CC[C@H](Nc2ccc3nccn3n2)C1	ZINC000852068103	FE	On-Demand	Anodyne	SIGMAR1	15	43
O=C(Cc1ccccc1)OCCN1CC[C@@H](Nc2ccc3nccn3n2)C1	ZINC000852068104	FE	On-Demand	Anodyne	LTA4H	24	50
O=C(Cc1ccccc1)OCCN1CC[C@@H](Nc2ccc3nccn3n2)C1	ZINC000852068104	FE	On-Demand	Anodyne	SIGMAR1	15	43
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)Nc1ccc(O)cc1	ZINC000852068110	FD	On-Demand	Anodyne	AURKB	25	40
CCOP(=O)(OCC)[C@H](O)CN1CCC(Oc2cncc(Cl)c2)CC1	ZINC000852068129	GG	On-Demand	Anodyne	HRH1	32	41
CCOP(=O)(OCC)[C@@H](O)CN1CCC(Oc2cncc(Cl)c2)CC1	ZINC000852068130	GG	On-Demand	Anodyne	HRH1	32	41
O=C(c1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068154	GF	On-Demand	Anodyne	DRD4	20	40
O=C(c1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068154	GF	On-Demand	Anodyne	SSTR5	45	37
O=C(c1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068154	GF	On-Demand	Anodyne	CCR3	33	41
O=C(c1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068154	GF	On-Demand	Anodyne	UTS2R	19	40
O=C(c1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068154	GF	On-Demand	Anodyne	MCHR1	20	41
O=C(c1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068154	GF	On-Demand	Anodyne	L3MBTL3	55	45
O=C(c1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068155	GF	On-Demand	Anodyne	DRD4	20	40
O=C(c1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068155	GF	On-Demand	Anodyne	SSTR5	45	37
O=C(c1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068155	GF	On-Demand	Anodyne	CCR3	33	41
O=C(c1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068155	GF	On-Demand	Anodyne	UTS2R	19	40
O=C(c1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068155	GF	On-Demand	Anodyne	MCHR1	20	41
O=C(c1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1)N1CCCC1	ZINC000852068155	GF	On-Demand	Anodyne	L3MBTL3	55	45
CCOC(=O)C1=C(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)NC(=O)N[C@@H]1C	ZINC000852068315	GC	On-Demand	Anodyne	SSTR5	40	36
CCOC(=O)C1=C(CN2CC[C@H](Nc3ccc4nccn4n3)C2)NC(=O)N[C@@H]1C	ZINC000852068316	GC	On-Demand	Anodyne	SSTR5	40	36
CCOC(=O)C1=C(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)NC(=O)N[C@H]1C	ZINC000852068317	GC	On-Demand	Anodyne	SSTR5	40	36
CCOC(=O)C1=C(CN2CC[C@H](Nc3ccc4nccn4n3)C2)NC(=O)N[C@H]1C	ZINC000852068318	GC	On-Demand	Anodyne	SSTR5	40	36
CCOC(=O)C1CCN(C(=O)CN(C)c2ccc(C)cc2Br)CC1	ZINC000852068529	GF	On-Demand	Anodyne	FDFT1	16	42
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)NCc1cc(F)ccc1F	ZINC000852068817	GD	On-Demand	Reactive	P2RX7	40	36
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCc1cc(F)ccc1F)C2	ZINC000852068875	GG	On-Demand	Anodyne	P2RX7	52	36
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCc1cc(F)ccc1F)C2	ZINC000852068875	GG	On-Demand	Anodyne	GPR119	15	50
COCCN(CCF)C(=O)NCc1cc(F)ccc1F	ZINC000852068925	CE	On-Demand	Anodyne	ACKR3	45	32
O[C@@H](CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccn1	ZINC000852068980	EF	On-Demand	Anodyne	HRH1	30	41
O[C@@H](CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccn1	ZINC000852068980	EF	On-Demand	Anodyne	SCN5A	40	34
O[C@H](CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccn1	ZINC000852068981	EF	On-Demand	Anodyne	HRH1	30	41
O[C@H](CN1CCC(Oc2cncc(Cl)c2)CC1)c1ccccn1	ZINC000852068981	EF	On-Demand	Anodyne	SCN5A	40	34
CCC(CC)CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852068989	CD	On-Demand	Anodyne	EPHX2	23	41
CCC(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852068991	DG	On-Demand	Clean	MTNR1A	23	50
CCC(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852068991	DG	On-Demand	Clean	MTNR1B	22	50
CCC(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852068992	DG	On-Demand	Clean	MTNR1A	23	50
CCC(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852068992	DG	On-Demand	Clean	MTNR1B	22	50
C[C@@H]1CCN(C(=O)NCc2cc(F)ccc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852069105	GF	On-Demand	Anodyne	DPP4	16	44
C[C@@H]1CCN(C(=O)NCc2cc(F)ccc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852069105	GF	On-Demand	Anodyne	EPHX2	16	43
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000852069220	GF	On-Demand	Anodyne	SLC12A5	49	33
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000852069222	GF	On-Demand	Anodyne	SLC12A5	49	33
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000852069224	GF	On-Demand	Anodyne	SLC12A5	49	33
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000852069226	GF	On-Demand	Anodyne	SLC12A5	49	33
O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852069247	GE	On-Demand	Reactive	CCR3	46	34
O=C(Cn1ccc2ccccc21)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852069250	GE	On-Demand	Reactive	CCR3	46	34
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)NCc1cc(F)ccc1F	ZINC000852069264	GD	On-Demand	Reactive	P2RX7	46	39
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)OCc1ccccc1	ZINC000852069286	FD	On-Demand	Anodyne	DRD4	19	43
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)OCc1ccccc1	ZINC000852069286	FD	On-Demand	Anodyne	GRIN2B	19	40
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)OCc1ccccc1	ZINC000852069288	FD	On-Demand	Anodyne	DRD4	19	43
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)OCc1ccccc1	ZINC000852069288	FD	On-Demand	Anodyne	GRIN2B	19	40
CON(C)C(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852069320	DG	On-Demand	Anodyne	DRD2	17	41
CON(C)C(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852069320	DG	On-Demand	Anodyne	DRD4	27	41
CON(C)C(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852069320	DG	On-Demand	Anodyne	ACHE	33	42
CON(C)C(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852069320	DG	On-Demand	Anodyne	SLC6A3	19	42
CON(C)C(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852069320	DG	On-Demand	Anodyne	SIGMAR1	37	40
CON(C)C(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852069320	DG	On-Demand	Anodyne	MCHR1	25	42
CON(C)C(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852069320	DG	On-Demand	Anodyne	CACNA1G	32	41
Fc1cccc(CN2CCC(Oc3cncc(Cl)c3)CC2)n1	ZINC000852069401	DG	On-Demand	Anodyne	SCN5A	83	39
OC[C@]1(Cc2ccccc2)CCCN(CCOC(F)F)C1	ZINC000852069427	CF	On-Demand	Anodyne	SLC6A3	23	42
OC[C@]1(Cc2ccccc2)CCCN(CCOC(F)F)C1	ZINC000852069427	CF	On-Demand	Anodyne	SLC12A5	50	34
OC[C@@]1(Cc2ccccc2)CCCN(CCOC(F)F)C1	ZINC000852069428	CF	On-Demand	Anodyne	SLC6A3	23	42
OC[C@@]1(Cc2ccccc2)CCCN(CCOC(F)F)C1	ZINC000852069428	CF	On-Demand	Anodyne	SLC12A5	50	34
NC(=O)[C@](O)(CN[C@@H]1CCCCC12CCCC2)c1ccccc1	ZINC000852069437	DE	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@](O)(CN[C@H]1CCCCC12CCCC2)c1ccccc1	ZINC000852069438	DE	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@@](O)(CN[C@H]1CCCCC12CCCC2)c1ccccc1	ZINC000852069439	DE	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@@](O)(CN[C@@H]1CCCCC12CCCC2)c1ccccc1	ZINC000852069440	DE	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@@](O)(CN1CC[C@@H](n2cccn2)C1)c1ccccc1	ZINC000852069457	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@H](n2cccn2)C1)c1ccccc1	ZINC000852069458	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H](n2cccn2)C1)c1ccccc1	ZINC000852069459	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@@H](n2cccn2)C1)c1ccccc1	ZINC000852069460	DC	On-Demand	Anodyne	CYP2J2	44	31
CCOc1ccc([C@@H](O)C2CCN(CCOC(F)F)CC2)cc1	ZINC000852069481	EG	On-Demand	Anodyne	SLC6A4	18	43
CCOc1ccc([C@@H](O)C2CCN(CCOC(F)F)CC2)cc1	ZINC000852069481	EG	On-Demand	Anodyne	SLC6A3	41	43
CCOc1ccc([C@@H](O)C2CCN(CCOC(F)F)CC2)cc1	ZINC000852069481	EG	On-Demand	Anodyne	HRH3	26	42
CCOc1ccc([C@@H](O)C2CCN(CCOC(F)F)CC2)cc1	ZINC000852069481	EG	On-Demand	Anodyne	PSMB1	41	41
CCOc1ccc([C@@H](O)C2CCN(CCCC(=O)NCC(C)C)CC2)cc1	ZINC000852069501	GG	On-Demand	Anodyne	HRH3	26	50
CCOc1ccc([C@@H](O)C2CCN(CCN3C[C@@H](C)C[C@@H](C)C3)CC2)cc1	ZINC000852069524	FH	On-Demand	Anodyne	HRH3	18	40
CCOc1ccc([C@@H](O)C2CCN(CCN3C[C@@H](C)C[C@@H](C)C3)CC2)cc1	ZINC000852069524	FH	On-Demand	Anodyne	EBP	22	40
CCSC1(CNC(=O)NNC(=O)c2ccc(OC)cc2OC)CC1	ZINC000852069545	FD	On-Demand	Reactive	KCNA3	45	40
CCSC1(CNC(=O)NNC(=O)c2ccc(OC)cc2OC)CC1	ZINC000852069545	FD	On-Demand	Reactive	LUCI_LUCLA	16	46
CCSC1(CNC(=O)NNC(=O)c2ccc(OC)cc2OC)CC1	ZINC000852069545	FD	On-Demand	Reactive	HCN1	40	36
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069560	JH	On-Demand	Anodyne	DRD4	32	44
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069560	JH	On-Demand	Anodyne	SIGMAR1	26	51
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069560	JH	On-Demand	Anodyne	CCR3	26	41
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069560	JH	On-Demand	Anodyne	MCHR1	26	44
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069560	JH	On-Demand	Anodyne	BIRC2	47	44
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069561	JH	On-Demand	Anodyne	DRD4	32	44
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069561	JH	On-Demand	Anodyne	SIGMAR1	26	51
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069561	JH	On-Demand	Anodyne	CCR3	26	41
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069561	JH	On-Demand	Anodyne	MCHR1	26	44
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069561	JH	On-Demand	Anodyne	BIRC2	47	44
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069562	JH	On-Demand	Anodyne	DRD4	32	44
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069562	JH	On-Demand	Anodyne	SIGMAR1	26	51
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069562	JH	On-Demand	Anodyne	CCR3	26	41
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069562	JH	On-Demand	Anodyne	MCHR1	26	44
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852069562	JH	On-Demand	Anodyne	BIRC2	47	44
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069563	JH	On-Demand	Anodyne	DRD4	32	44
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069563	JH	On-Demand	Anodyne	SIGMAR1	26	51
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069563	JH	On-Demand	Anodyne	CCR3	26	41
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069563	JH	On-Demand	Anodyne	MCHR1	26	44
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852069563	JH	On-Demand	Anodyne	BIRC2	47	44
CON(C)C(=O)C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852069579	EG	On-Demand	Anodyne	CCR5	45	40
CCOc1ccc([C@@H](O)C2CCN(CC3CC=CC3)CC2)cc1	ZINC000852069584	DH	On-Demand	Anodyne	SIGMAR1	15	55
CON(C)C(=O)C1CCN(CCSc2ccc(F)cc2F)CC1	ZINC000852069585	EF	On-Demand	Anodyne	CCR5	26	40
C=CCCC1(CNC(=O)NNC(=O)c2ccc(OC)cc2OC)CCCC1	ZINC000852069611	GG	On-Demand	Reactive	KCNA3	42	37
C=CCCC1(CNC(=O)NNC(=O)c2ccc(OC)cc2OC)CCCC1	ZINC000852069611	GG	On-Demand	Reactive	HCN1	58	36
C=CCCC1(CNC(=O)NNC(=O)c2ccc(OC)cc2OC)CCCC1	ZINC000852069611	GG	On-Demand	Reactive	HCN4	50	35
CCOc1ccc([C@@H](O)C2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000852069619	GE	On-Demand	Anodyne	AMY2	52	30
CCOc1ccc([C@@H](O)C2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000852069620	GE	On-Demand	Anodyne	AMY2	52	30
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	HTR1A	15	40
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	DRD2	20	43
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	HTR2A	15	44
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	SLC6A1	63	39
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	LTA4H	37	46
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	HRH3	23	40
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	SIGMAR1	61	43
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	CCR5	50	45
CON(C)C(=O)C1CCN(CCOCc2ccccc2)CC1	ZINC000852069641	DD	On-Demand	Anodyne	CYP2J2	46	33
OC[C@]1(Cc2ccccc2)CCCN(CC(F)(F)Br)C1	ZINC000852069675	EG	On-Demand	Anodyne	SLC12A5	43	34
OC[C@@]1(Cc2ccccc2)CCCN(CC(F)(F)Br)C1	ZINC000852069676	EG	On-Demand	Anodyne	SLC12A5	43	34
O=C1CC[C@H](CN2CCC[C@](CO)(Cc3ccccc3)C2)O1	ZINC000852069679	DE	On-Demand	Anodyne	SLC12A5	46	35
O=C1CC[C@@H](CN2CCC[C@@](CO)(Cc3ccccc3)C2)O1	ZINC000852069680	DE	On-Demand	Anodyne	SLC12A5	46	35
O=C1CC[C@H](CN2CCC[C@@](CO)(Cc3ccccc3)C2)O1	ZINC000852069681	DE	On-Demand	Anodyne	SLC12A5	46	35
O=C1CC[C@@H](CN2CCC[C@](CO)(Cc3ccccc3)C2)O1	ZINC000852069682	DE	On-Demand	Anodyne	SLC12A5	46	35
CON(C)C(=O)C1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852069683	CC	On-Demand	Anodyne	SLC18A3	80	45
CCOc1ccc([C@@H](O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1	ZINC000852069687	FH	On-Demand	Mild	HRH3	23	48
CCOc1ccc([C@@H](O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1	ZINC000852069687	FH	On-Demand	Mild	SIGMAR1	18	44
CCOc1ccc([C@@H](O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1	ZINC000852069687	FH	On-Demand	Mild	KCNJ1	34	52
CCOc1ccc([C@@H](O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1	ZINC000852069687	FH	On-Demand	Mild	MEN1	42	39
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccc(OC)cc1OC	ZINC000852069697	DE	On-Demand	Reactive	MTNR1A	53	37
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccc(OC)cc1OC	ZINC000852069697	DE	On-Demand	Reactive	MTNR1B	44	37
COc1ccc([C@@H](O)C2CCN(CCSc3cccc(OC)c3)CC2)cc1	ZINC000852069704	GI	On-Demand	Anodyne	DRD4	41	31
COc1ccc([C@@H](O)C2CCN(CCSc3cccc(OC)c3)CC2)cc1	ZINC000852069704	GI	On-Demand	Anodyne	SIGMAR1	18	45
COc1ccc([C@@H](O)C2CCN(CCSc3cccc(OC)c3)CC2)cc1	ZINC000852069704	GI	On-Demand	Anodyne	EBP	47	39
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)N(C)OC)CC1	ZINC000852069714	FE	On-Demand	Anodyne	SLC6A3	21	43
CCOc1ccc([C@@H](O)C2CCN(CC(=O)Nc3cnccn3)CC2)cc1	ZINC000852069736	FE	On-Demand	Anodyne	ACOX1	48	32
Cc1ncsc1C(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852069770	FD	On-Demand	Reactive	SCN2A	18	44
Cc1ncsc1C(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852069770	FD	On-Demand	Reactive	SCN10A	19	44
Cc1ncsc1C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852069781	FD	On-Demand	Reactive	HTR4	32	41
Cc1ncsc1C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852069781	FD	On-Demand	Reactive	CACNA1I	60	35
COc1ccc([C@@H](O)C2CCN(Cc3cnc4ccccc4n3)CC2)cc1	ZINC000852069796	FH	On-Demand	Anodyne	ALOX5	16	40
CON(C)C(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852069824	CD	On-Demand	Anodyne	DRD4	40	40
CON(C)C(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852069824	CD	On-Demand	Anodyne	ACHE	38	43
CON(C)C(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852069824	CD	On-Demand	Anodyne	HRH2	29	42
CON(C)C(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852069824	CD	On-Demand	Anodyne	CHRM3	21	43
CON(C)C(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852069824	CD	On-Demand	Anodyne	SIGMAR1	41	41
CON(C)C(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852069824	CD	On-Demand	Anodyne	MCHR1	27	41
CON(C)C(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852069824	CD	On-Demand	Anodyne	CACNA1G	30	40
CCOc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852069831	FI	On-Demand	Anodyne	SLC6A4	22	42
CCOc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852069831	FI	On-Demand	Anodyne	HRH1	26	51
CCOc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852069831	FI	On-Demand	Anodyne	SLC6A3	44	41
CCOc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852069831	FI	On-Demand	Anodyne	GRIN2B	19	41
CCOc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852069831	FI	On-Demand	Anodyne	LTA4H	59	47
CCOc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852069831	FI	On-Demand	Anodyne	HRH3	45	54
CCOc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852069831	FI	On-Demand	Anodyne	SIGMAR1	38	46
CCOc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852069831	FI	On-Demand	Anodyne	PSMB1	42	38
CON(C)C(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852069833	DD	On-Demand	Mild	HRH3	23	45
CON(C)C(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852069833	DD	On-Demand	Mild	CCR5	18	45
CON(C)C(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852069833	DD	On-Demand	Mild	ITK	17	41
CON(C)C(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852069833	DD	On-Demand	Mild	CACNA1G	19	40
CON(C)C(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852069833	DD	On-Demand	Mild	KCNJ1	49	53
CON(C)C(=O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852069849	EC	On-Demand	Anodyne	AMY2	55	32
CON(C)C(=O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852069849	EC	On-Demand	Anodyne	CYP2J2	47	33
CON(C)C(=O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852069850	EC	On-Demand	Anodyne	AMY2	55	32
CON(C)C(=O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852069850	EC	On-Demand	Anodyne	CYP2J2	47	33
CCOc1ccc([C@@H](O)C2CCN(Cc3cn(C)cn3)CC2)cc1	ZINC000852069856	EF	On-Demand	Anodyne	CACNA2D2	50	31
CON(C)C(=O)C1CCN(Cc2cc(F)ccc2OC(F)F)CC1	ZINC000852069876	EF	On-Demand	Anodyne	CACNA1G	29	40
CON(C)C(=O)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852069900	EF	On-Demand	Anodyne	HTR1A	20	41
CON(C)C(=O)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852069900	EF	On-Demand	Anodyne	DRD2	25	40
COc1ccc([C@@H](O)C2CCN(CCOC(F)F)CC2)cc1	ZINC000852070015	DF	On-Demand	Anodyne	SLC6A4	23	46
COc1ccc([C@@H](O)C2CCN(CCOC(F)F)CC2)cc1	ZINC000852070015	DF	On-Demand	Anodyne	SLC6A3	47	46
COc1ccc([C@@H](O)C2CCN(CCOC(F)F)CC2)cc1	ZINC000852070015	DF	On-Demand	Anodyne	SIGMAR1	17	49
COc1ccc([C@@H](O)C2CCN(CCc3nsc4ccccc34)CC2)cc1	ZINC000852070022	GI	On-Demand	Anodyne	HTR1A	18	46
COc1ccc([C@@H](O)C2CCN(CCc3nsc4ccccc34)CC2)cc1	ZINC000852070022	GI	On-Demand	Anodyne	DRD2	18	42
COc1ccc([C@@H](O)C2CCN(CCc3nsc4ccccc34)CC2)cc1	ZINC000852070022	GI	On-Demand	Anodyne	HTR2A	36	41
c1cn2nc(N[C@@H]3CCN(Cc4ccc5nonc5c4)C3)ccc2n1	ZINC000852070026	ED	On-Demand	Anodyne	SSTR5	70	36
c1cn2nc(N[C@H]3CCN(Cc4ccc5nonc5c4)C3)ccc2n1	ZINC000852070027	ED	On-Demand	Anodyne	SSTR5	70	36
NC(=O)[C@@](O)(CN1CCC(F)(F)[C@H](CO)C1)c1ccccc1	ZINC000852070032	DC	On-Demand	Anodyne	CHRM1	15	41
NC(=O)[C@@](O)(CN1CCC(F)(F)[C@H](CO)C1)c1ccccc1	ZINC000852070032	DC	On-Demand	Anodyne	CHRM3	25	41
NC(=O)[C@](O)(CN1CCC(F)(F)[C@H](CO)C1)c1ccccc1	ZINC000852070033	DC	On-Demand	Anodyne	CHRM1	15	41
NC(=O)[C@](O)(CN1CCC(F)(F)[C@H](CO)C1)c1ccccc1	ZINC000852070033	DC	On-Demand	Anodyne	CHRM3	25	41
NC(=O)[C@](O)(CN1CCC(F)(F)[C@@H](CO)C1)c1ccccc1	ZINC000852070034	DC	On-Demand	Anodyne	CHRM1	15	41
NC(=O)[C@](O)(CN1CCC(F)(F)[C@@H](CO)C1)c1ccccc1	ZINC000852070034	DC	On-Demand	Anodyne	CHRM3	25	41
NC(=O)[C@@](O)(CN1CCC(F)(F)[C@@H](CO)C1)c1ccccc1	ZINC000852070035	DC	On-Demand	Anodyne	CHRM1	15	41
NC(=O)[C@@](O)(CN1CCC(F)(F)[C@@H](CO)C1)c1ccccc1	ZINC000852070035	DC	On-Demand	Anodyne	CHRM3	25	41
Cc1ncsc1C(=O)NNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852070036	FC	On-Demand	Reactive	PYGL	34	48
Cc1ncsc1C(=O)NNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852070036	FC	On-Demand	Reactive	PYGM	31	48
Cc1ncsc1C(=O)NNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852070037	FC	On-Demand	Reactive	PYGL	34	48
Cc1ncsc1C(=O)NNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852070037	FC	On-Demand	Reactive	PYGM	31	48
COc1ccc([C@@H](O)C2CCN(CC3CC=CC3)CC2)cc1	ZINC000852070045	DG	On-Demand	Anodyne	SIGMAR1	16	51
CON(C)C(=O)C1CCN(Cc2nsc3ccccc23)CC1	ZINC000852070064	DF	On-Demand	Anodyne	HTR1A	16	40
NC(=O)[C@@](O)(CN1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070074	FD	On-Demand	Anodyne	NPFFR2	20	40
NC(=O)[C@@](O)(CN1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070074	FD	On-Demand	Anodyne	NPFFR1	27	40
NC(=O)[C@@](O)(CN1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070074	FD	On-Demand	Anodyne	SLC12A5	67	35
NC(=O)[C@@](O)(CN1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070075	FD	On-Demand	Anodyne	NPFFR2	20	40
NC(=O)[C@@](O)(CN1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070075	FD	On-Demand	Anodyne	NPFFR1	27	40
NC(=O)[C@@](O)(CN1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070075	FD	On-Demand	Anodyne	SLC12A5	67	35
COc1ccc([C@@H](O)C2CCN(Cc3cccc(OC)c3Cl)CC2)cc1	ZINC000852070076	GI	On-Demand	Anodyne	DRD4	16	40
COc1ccc([C@@H](O)C2CCN(Cc3cccc(OC)c3Cl)CC2)cc1	ZINC000852070076	GI	On-Demand	Anodyne	SIGMAR1	22	53
NC(=O)[C@](O)(CN1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070077	FD	On-Demand	Anodyne	NPFFR2	20	40
NC(=O)[C@](O)(CN1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070077	FD	On-Demand	Anodyne	NPFFR1	27	40
NC(=O)[C@](O)(CN1CCC[C@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070077	FD	On-Demand	Anodyne	SLC12A5	67	35
NC(=O)[C@](O)(CN1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070078	FD	On-Demand	Anodyne	NPFFR2	20	40
NC(=O)[C@](O)(CN1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070078	FD	On-Demand	Anodyne	NPFFR1	27	40
NC(=O)[C@](O)(CN1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccccc1	ZINC000852070078	FD	On-Demand	Anodyne	SLC12A5	67	35
CON(C)C(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852070090	DG	On-Demand	Anodyne	CHRM2	15	42
CON(C)C(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852070090	DG	On-Demand	Anodyne	DRD2	18	40
CON(C)C(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852070090	DG	On-Demand	Anodyne	ACHE	41	44
CON(C)C(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852070090	DG	On-Demand	Anodyne	CHRM3	30	42
CON(C)C(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852070090	DG	On-Demand	Anodyne	SIGMAR1	39	43
CON(C)C(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852070090	DG	On-Demand	Anodyne	MCHR1	27	40
CON(C)C(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852070090	DG	On-Demand	Anodyne	CACNA1G	43	43
CON(C)C(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852070090	DG	On-Demand	Anodyne	CACNA1I	15	42
CCOc1ccc([C@@H](O)C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000852070093	EG	On-Demand	Anodyne	SLC18A3	45	43
CCOc1ccc([C@@H](O)C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000852070093	EG	On-Demand	Anodyne	CACNA2D2	49	30
CNS(=O)(=O)c1ccc(CN2CCC(C(=O)N(C)OC)CC2)cc1	ZINC000852070113	FC	On-Demand	Anodyne	AVPR1B	42	35
CNS(=O)(=O)c1ccc(CN2CCC(C(=O)N(C)OC)CC2)cc1	ZINC000852070113	FC	On-Demand	Anodyne	MMP13	25	40
CNS(=O)(=O)c1ccc(CN2CCC(C(=O)N(C)OC)CC2)cc1	ZINC000852070113	FC	On-Demand	Anodyne	MLNR	27	41
CNS(=O)(=O)c1ccc(CN2CCC(C(=O)N(C)OC)CC2)cc1	ZINC000852070113	FC	On-Demand	Anodyne	MMP1	16	40
CON(C)C(=O)C1CCN(CCSc2cccc(Cl)c2)CC1	ZINC000852070139	EG	On-Demand	Anodyne	CCR5	27	42
CON(C)C(=O)C1CCN(Cc2cccc(SC)c2)CC1	ZINC000852070142	DF	On-Demand	Anodyne	DRD2	15	43
CON(C)C(=O)C1CCN(Cc2cccc(SC)c2)CC1	ZINC000852070142	DF	On-Demand	Anodyne	ACHE	29	42
CON(C)C(=O)C1CCN(Cc2cccc(SC)c2)CC1	ZINC000852070142	DF	On-Demand	Anodyne	SIGMAR1	37	44
CON(C)C(=O)C1CCN(Cc2cccc(SC)c2)CC1	ZINC000852070142	DF	On-Demand	Anodyne	CACNA1G	32	41
OC[C@]1(Cc2ccccc2)CCCN(CC=C(Cl)Cl)C1	ZINC000852070157	DH	On-Demand	Anodyne	SLC12A5	47	34
OC[C@@]1(Cc2ccccc2)CCCN(CC=C(Cl)Cl)C1	ZINC000852070158	DH	On-Demand	Anodyne	SLC12A5	47	34
COc1ccc([C@@H](O)C2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000852070159	GD	On-Demand	Anodyne	SLC6A3	15	40
COc1ccc([C@@H](O)C2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000852070159	GD	On-Demand	Anodyne	AMY2	52	30
COc1ccc([C@@H](O)C2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000852070162	GD	On-Demand	Anodyne	SLC6A3	15	40
COc1ccc([C@@H](O)C2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1	ZINC000852070162	GD	On-Demand	Anodyne	AMY2	52	30
C=CCCNC(=O)NNC(=O)c1ccc(OC)cc1OC	ZINC000852070179	CD	On-Demand	Reactive	MTNR1A	56	39
C=CCCNC(=O)NNC(=O)c1ccc(OC)cc1OC	ZINC000852070179	CD	On-Demand	Reactive	MTNR1B	43	38
C#CCOCCN1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000852070189	CD	On-Demand	Mild	SLC12A5	46	34
C#CCOCCN1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000852070190	CD	On-Demand	Mild	SLC12A5	46	34
CCOc1ccc([C@@H](O)C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000852070192	DF	On-Demand	Anodyne	SLC18A3	41	40
CCOc1ccc([C@@H](O)C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000852070192	DF	On-Demand	Anodyne	CACNA2D2	49	30
COc1ccc([C@@H](O)C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000852070245	DE	On-Demand	Anodyne	CHRM2	23	45
COc1ccc([C@@H](O)C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000852070245	DE	On-Demand	Anodyne	CHRM4	16	45
COc1ccc([C@@H](O)C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1	ZINC000852070245	DE	On-Demand	Anodyne	SLC18A3	55	41
COc1ccc([C@@H](O)C2CCN(CCN3C[C@@H](C)C[C@@H](C)C3)CC2)cc1	ZINC000852070264	FG	On-Demand	Anodyne	SIGMAR1	17	42
CN(C[C@@H]1CCc2ccccc21)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070267	GH	On-Demand	Reactive	CCR2	80	42
O=C(NNC(=O)N1CCOC(C2CC2)(C2CC2)C1)c1cccc(C(F)(F)F)c1	ZINC000852070299	GF	On-Demand	Reactive	CACNA1B	41	35
O=C(NNC(=O)N1CCOC(C2CC2)(C2CC2)C1)c1cccc(C(F)(F)F)c1	ZINC000852070299	GF	On-Demand	Reactive	CCR2	86	41
O=C(NNC(=O)N1CCOC(C2CC2)(C2CC2)C1)c1cccc(C(F)(F)F)c1	ZINC000852070299	GF	On-Demand	Reactive	EPHX2	18	44
COc1ccc(N2CC[C@H](NC(=O)NCCCN3C(=O)CCC3=O)C2)cc1	ZINC000852070303	FD	On-Demand	Clean	MTNR1A	18	44
COc1ccc(N2CC[C@H](NC(=O)NCCCN3C(=O)CCC3=O)C2)cc1	ZINC000852070303	FD	On-Demand	Clean	MTNR1B	15	44
C#CCOCCN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1	ZINC000852070305	DE	On-Demand	Mild	HRH3	38	40
C#CCOCCN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1	ZINC000852070305	DE	On-Demand	Mild	PSMB1	42	42
C#CCOCCN1CCC([C@H](O)c2ccc(OCC)cc2)CC1	ZINC000852070308	DE	On-Demand	Mild	HRH3	38	40
C#CCOCCN1CCC([C@H](O)c2ccc(OCC)cc2)CC1	ZINC000852070308	DE	On-Demand	Mild	PSMB1	42	42
O=C(NNC(=O)N1CCO[C@H](CC(F)(F)F)C1)c1cccc(C(F)(F)F)c1	ZINC000852070351	GF	On-Demand	Reactive	CACNA1B	45	32
O=C(NNC(=O)N1CCO[C@H](CC(F)(F)F)C1)c1cccc(C(F)(F)F)c1	ZINC000852070351	GF	On-Demand	Reactive	CCR2	96	43
O=C(NNC(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1cccc(C(F)(F)F)c1	ZINC000852070353	GF	On-Demand	Reactive	CACNA1B	45	32
O=C(NNC(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1cccc(C(F)(F)F)c1	ZINC000852070353	GF	On-Demand	Reactive	CCR2	96	43
CN(Cc1cn(C)nn1)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070379	FD	On-Demand	Reactive	CCR2	67	37
CCOc1ccc([C@@H](O)C2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)cc1	ZINC000852070388	GJ	On-Demand	Mild	EBP	19	42
CCOC(=O)N1CCN(C(=O)[C@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)CC1	ZINC000852070422	JF	On-Demand	Anodyne	P2RY12	63	37
CCOC(=O)N1CCN(C(=O)[C@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)CC1	ZINC000852070422	JF	On-Demand	Anodyne	Q6PRC7_IXORI	51	35
CCOC(=O)N1CCN(C(=O)[C@@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)CC1	ZINC000852070424	JF	On-Demand	Anodyne	P2RY12	63	37
CCOC(=O)N1CCN(C(=O)[C@@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)CC1	ZINC000852070424	JF	On-Demand	Anodyne	Q6PRC7_IXORI	51	35
COc1ccc([C@@H](O)C2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)cc1	ZINC000852070427	FH	On-Demand	Bother	SLC6A3	15	41
CCSC1(CNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000852070434	FF	On-Demand	Reactive	CCR2	88	41
CCSC1(CNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000852070434	FF	On-Demand	Reactive	KCNK3	23	44
O=C(NNC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2)c1cccc(C(F)(F)F)c1	ZINC000852070446	FE	On-Demand	Reactive	CCR2	84	43
O=C(NNC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2)c1cccc(C(F)(F)F)c1	ZINC000852070448	FE	On-Demand	Reactive	CCR2	84	43
O=C(NNC(=O)N1CCc2nccnc2C1)c1cccc(C(F)(F)F)c1	ZINC000852070450	FD	On-Demand	Reactive	CCR2	79	39
O=C(NNC(=O)N1CCC(c2ccco2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852070452	GH	On-Demand	Reactive	CCR2	91	42
O=C(NNC(=O)N1CCC(c2ccco2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852070452	GH	On-Demand	Reactive	RBP4	39	50
COC[C@@H](CCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)OC	ZINC000852070477	FD	On-Demand	Reactive	CCR2	76	41
COC[C@@H](CCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)OC	ZINC000852070477	FD	On-Demand	Reactive	KCNK3	18	40
COC[C@@H](CCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)OC	ZINC000852070477	FD	On-Demand	Reactive	PDS	42	36
O=C(NCCO[C@H]1CC1(F)F)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070484	FE	On-Demand	Reactive	CCR2	78	40
O=C(NCCO[C@@H]1CC1(F)F)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070486	FE	On-Demand	Reactive	CCR2	78	40
CN(C[C@@H]1COCCO1)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070492	FD	On-Demand	Reactive	CCR2	77	40
O=C(NNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cccc(C(F)(F)F)c1	ZINC000852070499	GD	On-Demand	Reactive	CACNA1B	42	36
O=C(NNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cccc(C(F)(F)F)c1	ZINC000852070499	GD	On-Demand	Reactive	CCR2	83	43
O=C(NNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cccc(C(F)(F)F)c1	ZINC000852070500	GD	On-Demand	Reactive	CACNA1B	42	36
O=C(NNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cccc(C(F)(F)F)c1	ZINC000852070500	GD	On-Demand	Reactive	CCR2	83	43
CCOc1ccc([C@@H](O)C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1	ZINC000852070519	FI	On-Demand	Anodyne	SLC6A3	28	44
CCOc1ccc([C@@H](O)C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1	ZINC000852070519	FI	On-Demand	Anodyne	SLC18A3	53	36
CCOc1ccc([C@@H](O)C2CCN(Cc3cnc4ccccc4n3)CC2)cc1	ZINC000852070571	GH	On-Demand	Anodyne	ALOX5	22	42
CO[C@@H]1CC[C@@H](N2CCC[C@@](CO)(Cc3ccccc3)C2)C1	ZINC000852070583	DF	On-Demand	Anodyne	SLC12A5	46	34
CO[C@@H]1CC[C@@H](N2CCC[C@](CO)(Cc3ccccc3)C2)C1	ZINC000852070587	DF	On-Demand	Anodyne	SLC12A5	46	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070615	EG	On-Demand	Reactive	CCR2	83	45
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070615	EG	On-Demand	Reactive	BTK	17	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070615	EG	On-Demand	Reactive	PDS	40	35
CC[C@@H](C)CCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070620	EG	On-Demand	Reactive	CCR2	84	44
CC[C@@H](C)CCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070620	EG	On-Demand	Reactive	KCNK3	19	43
CC[C@@H](C)CCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070620	EG	On-Demand	Reactive	PDS	45	37
COc1ccc([C@@H](O)C2CCN([C@@H](C)C(C)C)CC2)cc1	ZINC000852070637	CG	On-Demand	Anodyne	CHRM4	15	43
COc1cccc(SCCN2CCC(C(=O)N(C)OC)CC2)c1	ZINC000852070639	EF	On-Demand	Anodyne	DRD4	46	35
COc1cccc(SCCN2CCC(C(=O)N(C)OC)CC2)c1	ZINC000852070639	EF	On-Demand	Anodyne	CCR5	25	46
COc1cccc(SCCN2CCC(C(=O)N(C)OC)CC2)c1	ZINC000852070639	EF	On-Demand	Anodyne	MTNR1A	17	46
COc1cccc(SCCN2CCC(C(=O)N(C)OC)CC2)c1	ZINC000852070639	EF	On-Demand	Anodyne	MTNR1B	21	46
COc1ccc([C@@H](O)C2CCN([C@H](C)C(C)C)CC2)cc1	ZINC000852070652	CG	On-Demand	Anodyne	CHRM4	15	43
COc1ccc([C@@H](O)C2CCN(CCCC3CCC3)CC2)cc1	ZINC000852070665	DI	On-Demand	Anodyne	HRH3	31	40
COc1ccc([C@@H](O)C2CCN(CCCC3CCC3)CC2)cc1	ZINC000852070665	DI	On-Demand	Anodyne	SIGMAR1	28	48
COc1ccc([C@@H](O)C2CCN(CCCC3CCC3)CC2)cc1	ZINC000852070665	DI	On-Demand	Anodyne	EBP	64	41
O=C(NNC(=O)N1CC2CC1(c1ccccc1)C2)c1cccc(C(F)(F)F)c1	ZINC000852070686	GH	On-Demand	Reactive	CCR2	79	45
COC(=O)N(C)CCNC(=O)NNC(=O)c1ccc(OC)cc1OC	ZINC000852070723	FC	On-Demand	Reactive	MTNR1A	44	37
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C(C)=O)CC3)C2)cc1	ZINC000852070734	FD	On-Demand	Clean	MMP13	23	41
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C(C)=O)CC3)C2)cc1	ZINC000852070734	FD	On-Demand	Clean	MTNR1A	22	47
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C(C)=O)CC3)C2)cc1	ZINC000852070734	FD	On-Demand	Clean	MTNR1B	21	47
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C(C)=O)CC3)C2)cc1	ZINC000852070734	FD	On-Demand	Clean	MMP3	23	41
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C(C)=O)CC3)C2)cc1	ZINC000852070734	FD	On-Demand	Clean	MMP9	16	41
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C(C)=O)CC3)C2)cc1	ZINC000852070734	FD	On-Demand	Clean	EPHX2	36	47
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C(C)=O)CC3)C2)cc1	ZINC000852070734	FD	On-Demand	Clean	MMP7	20	41
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C(C)=O)CC3)C2)cc1	ZINC000852070734	FD	On-Demand	Clean	MMP1	21	41
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852070741	FF	On-Demand	Reactive	CACNA1B	51	33
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852070741	FF	On-Demand	Reactive	CCR2	96	45
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852070744	FF	On-Demand	Reactive	CACNA1B	51	33
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852070744	FF	On-Demand	Reactive	CCR2	96	45
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)NC1CCC2(CC1)CC2(F)F	ZINC000852070757	GH	On-Demand	Reactive	CCR2	91	46
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)NC1CCC2(CC1)CC2(F)F	ZINC000852070757	GH	On-Demand	Reactive	EPHX2	19	46
C#C[C@H](NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000852070769	FE	On-Demand	Reactive	CCR2	73	39
C#C[C@@H](NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000852070770	FE	On-Demand	Reactive	CCR2	73	39
Cc1nnc(CN(C)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)o1	ZINC000852070772	FD	On-Demand	Reactive	CCR2	64	38
Cc1ncsc1C(=O)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852070774	GF	On-Demand	Reactive	KCNH2	41	38
O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2N1	ZINC000852070776	GD	On-Demand	Reactive	CACNA1B	47	35
O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2N1	ZINC000852070776	GD	On-Demand	Reactive	CCR2	82	45
O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2N1	ZINC000852070776	GD	On-Demand	Reactive	RBP4	59	32
O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@H]2N1	ZINC000852070778	GD	On-Demand	Reactive	CACNA1B	47	35
O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@H]2N1	ZINC000852070778	GD	On-Demand	Reactive	CCR2	82	45
O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@H]2N1	ZINC000852070778	GD	On-Demand	Reactive	RBP4	59	32
O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@H]2N1	ZINC000852070779	GD	On-Demand	Reactive	CACNA1B	47	35
O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@H]2N1	ZINC000852070779	GD	On-Demand	Reactive	CCR2	82	45
O=C1CC[C@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@H]2N1	ZINC000852070779	GD	On-Demand	Reactive	RBP4	59	32
O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2N1	ZINC000852070781	GD	On-Demand	Reactive	CACNA1B	47	35
O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2N1	ZINC000852070781	GD	On-Demand	Reactive	CCR2	82	45
O=C1CC[C@@H]2CN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2N1	ZINC000852070781	GD	On-Demand	Reactive	RBP4	59	32
O=C(NCCCC1CCC1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070782	EG	On-Demand	Reactive	CCR3	18	41
O=C(NCCCC1CCC1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070782	EG	On-Demand	Reactive	CCR2	91	46
Cc1ncsc1C(=O)NNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852070808	GD	On-Demand	Reactive	VHL	65	39
COc1ccc([C@@H](O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1	ZINC000852070809	FH	On-Demand	Mild	HRH3	21	49
COc1ccc([C@@H](O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1	ZINC000852070809	FH	On-Demand	Mild	SIGMAR1	21	51
COc1ccc([C@@H](O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1	ZINC000852070809	FH	On-Demand	Mild	KCNJ1	31	51
COc1ccc([C@@H](O)C2CCN(CCc3ccc(C#N)cc3)CC2)cc1	ZINC000852070809	FH	On-Demand	Mild	MEN1	40	37
COc1ccc([C@@H](O)C2CCN(Cc3cccc(SC)c3)CC2)cc1	ZINC000852070832	FI	On-Demand	Anodyne	DRD4	18	42
COc1ccc([C@@H](O)C2CCN(Cc3cccc(SC)c3)CC2)cc1	ZINC000852070832	FI	On-Demand	Anodyne	SIGMAR1	35	52
COc1ccc([C@@H](O)C2CCN(Cc3cccc(SC)c3)CC2)cc1	ZINC000852070832	FI	On-Demand	Anodyne	MCHR1	18	42
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	HTR2A	15	56
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	SLC6A4	29	51
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	HRH1	22	51
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	SLC6A3	49	47
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	GRIN2B	25	41
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	LTA4H	33	42
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	HTR7	17	43
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	HRH3	24	48
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	SIGMAR1	47	56
COc1ccc([C@@H](O)C2CCN(CCOCc3ccccc3)CC2)cc1	ZINC000852070834	FH	On-Demand	Anodyne	CCR5	28	43
CCOc1ccc([C@@H](O)C2CCN(CCC(OC)OC)CC2)cc1	ZINC000852070854	EF	On-Demand	Anodyne	HRH3	17	40
CON(C)C(=O)C1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852070855	CD	On-Demand	Mild	PTAFR	37	42
CON(C)C(=O)C1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852070856	CD	On-Demand	Mild	PTAFR	37	42
CON(C)C(=O)C1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852070867	CD	On-Demand	Anodyne	SLC18A3	84	49
CON(C)C(=O)C1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852070876	DF	On-Demand	Anodyne	HTR1A	15	42
CON(C)C(=O)C1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852070876	DF	On-Demand	Anodyne	SIGMAR1	23	45
CON(C)C(=O)C1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852070876	DF	On-Demand	Anodyne	EBP	30	45
CON(C)C(=O)C1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852070877	DF	On-Demand	Anodyne	HTR1A	15	42
CON(C)C(=O)C1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852070877	DF	On-Demand	Anodyne	SIGMAR1	23	45
CON(C)C(=O)C1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852070877	DF	On-Demand	Anodyne	EBP	30	45
COC(=O)CSCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852070880	DD	On-Demand	Reactive	F10	53	34
COC(=O)c1ccc2nc(CN3CCC(C(=O)N(C)OC)CC3)[nH]c2c1	ZINC000852070881	FD	On-Demand	Anodyne	GRIN2B	15	45
C=CCOCCCNC(=O)NNC(=O)c1ccc(OC)cc1OC	ZINC000852070884	ED	On-Demand	Reactive	MTNR1A	40	37
C=CCOCCCNC(=O)NNC(=O)c1ccc(OC)cc1OC	ZINC000852070884	ED	On-Demand	Reactive	MTNR1B	32	40
CCOc1ccc([C@@H](O)C2CCN(CCC=C(C)C)CC2)cc1	ZINC000852070890	DI	On-Demand	Anodyne	HRH3	16	40
CCOc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852070901	EH	On-Demand	Anodyne	HRH2	20	40
CCOc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852070901	EH	On-Demand	Anodyne	SIGMAR1	31	42
CCOc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852070901	EH	On-Demand	Anodyne	SSTR5	49	35
CCOc1ccc([C@@H](O)C2CCN(CCC3CCC3)CC2)cc1	ZINC000852070903	DI	On-Demand	Anodyne	HRH3	31	41
CON(C)C(=O)C1CCN(Cc2nc(C)oc2C)CC1	ZINC000852070925	CD	On-Demand	Anodyne	PDE8B	40	32
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070964	GF	On-Demand	Reactive	CACNA1B	44	38
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070964	GF	On-Demand	Reactive	CCR3	36	41
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070964	GF	On-Demand	Reactive	CCR2	102	56
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070964	GF	On-Demand	Reactive	EPHX2	16	41
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070964	GF	On-Demand	Reactive	CACNA1I	82	52
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070991	GF	On-Demand	Reactive	CACNA1B	41	32
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070991	GF	On-Demand	Reactive	CCR3	46	38
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070991	GF	On-Demand	Reactive	CCR2	105	49
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070991	GF	On-Demand	Reactive	CACNA1I	39	43
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070999	GG	On-Demand	Reactive	CCR2	70	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070999	GG	On-Demand	Reactive	KCNK3	48	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852070999	GG	On-Demand	Reactive	KCNK9	40	35
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071011	FG	On-Demand	Reactive	CACNA1B	44	36
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071011	FG	On-Demand	Reactive	CCR2	107	49
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071011	FG	On-Demand	Reactive	RBP4	41	35
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071011	FG	On-Demand	Reactive	CACNA1I	15	41
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071011	FG	On-Demand	Reactive	LIPG	40	36
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071012	FG	On-Demand	Reactive	CACNA1B	44	36
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071012	FG	On-Demand	Reactive	CCR2	107	49
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071012	FG	On-Demand	Reactive	RBP4	41	35
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071012	FG	On-Demand	Reactive	CACNA1I	15	41
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc(C(F)(F)F)c1	ZINC000852071012	FG	On-Demand	Reactive	LIPG	40	36
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071022	FF	On-Demand	Reactive	CACNA1B	48	35
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071022	FF	On-Demand	Reactive	CCR2	104	46
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071022	FF	On-Demand	Reactive	CACNA1I	39	41
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071023	FF	On-Demand	Reactive	CACNA1B	48	35
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071023	FF	On-Demand	Reactive	CCR2	104	46
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071023	FF	On-Demand	Reactive	CACNA1I	39	41
COc1ccc([C@@H](O)C2CCN(CCC(OC)OC)CC2)cc1	ZINC000852071060	DE	On-Demand	Anodyne	SIGMAR1	16	48
COc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852071086	EG	On-Demand	Anodyne	DRD2	15	44
COc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852071086	EG	On-Demand	Anodyne	DRD4	27	43
COc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852071086	EG	On-Demand	Anodyne	ACHE	22	42
COc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852071086	EG	On-Demand	Anodyne	SLC6A3	15	45
COc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852071086	EG	On-Demand	Anodyne	SIGMAR1	38	59
COc1ccc([C@@H](O)C2CCN(Cc3cccc(N)c3)CC2)cc1	ZINC000852071086	EG	On-Demand	Anodyne	MCHR1	21	43
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852071104	JG	On-Demand	Anodyne	NOS2	63	35
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852071105	JG	On-Demand	Anodyne	NOS2	63	35
COc1ccc([C@@H](O)C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000852071117	DF	On-Demand	Anodyne	CHRM2	25	48
COc1ccc([C@@H](O)C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000852071117	DF	On-Demand	Anodyne	CHRM4	17	48
COc1ccc([C@@H](O)C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1	ZINC000852071117	DF	On-Demand	Anodyne	SLC18A3	60	45
Cc1ncsc1C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852071126	GD	On-Demand	Reactive	ACHE	20	43
Cc1ncsc1C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852071126	GD	On-Demand	Reactive	SIGMAR1	15	40
Cc1ncsc1C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852071126	GD	On-Demand	Reactive	SSTR5	50	36
Cc1ncsc1C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852071126	GD	On-Demand	Reactive	CCR3	15	41
Cc1ncsc1C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852071126	GD	On-Demand	Reactive	CACNA1I	62	43
COc1ccc([C@@H](O)C2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)cc1	ZINC000852071142	GG	On-Demand	Anodyne	ACOX1	53	36
COc1ccc([C@@H](O)C2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)cc1	ZINC000852071142	GG	On-Demand	Anodyne	ENPP1	56	34
c1ccc(Cn2cc(CN3CC[C@H](Nc4ccc5nccn5n4)C3)nn2)cc1	ZINC000852071146	FE	On-Demand	Anodyne	DRD4	23	40
c1ccc(Cn2cc(CN3CC[C@@H](Nc4ccc5nccn5n4)C3)nn2)cc1	ZINC000852071148	FE	On-Demand	Anodyne	DRD4	23	40
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071223	FG	On-Demand	Reactive	KCNJ11	16	41
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071223	FG	On-Demand	Reactive	CCR2	80	43
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071223	FG	On-Demand	Reactive	ADCYAP1R1	42	35
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071223	FG	On-Demand	Reactive	KCNK3	22	46
O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071240	FG	On-Demand	Reactive	CCR2	88	44
COC(=O)N(C)CCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071245	FD	On-Demand	Reactive	CCR2	75	41
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c2ncnn21	ZINC000852071260	FD	On-Demand	Reactive	CCR2	74	40
C[C@@]12COC[C@H]1CN(C(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C2	ZINC000852071275	FE	On-Demand	Reactive	CCR2	81	40
C[C@@]12COC[C@@H]1CN(C(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C2	ZINC000852071276	FE	On-Demand	Reactive	CCR2	81	40
C[C@@]1(CNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CC1(F)F	ZINC000852071291	FF	On-Demand	Reactive	CCR2	86	44
C[C@@]1(CNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CC1(F)F	ZINC000852071291	FF	On-Demand	Reactive	KCNK3	27	47
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)O1	ZINC000852071305	FF	On-Demand	Reactive	CCR2	86	45
N#CC1(CNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)CCCCC1	ZINC000852071311	FG	On-Demand	Reactive	CCR2	79	42
Cc1ncsc1C(=O)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852071334	FD	On-Demand	Reactive	CCR3	58	38
Cc1ncsc1C(=O)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852071335	FD	On-Demand	Reactive	CCR3	58	38
O=C(c1cccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071337	GG	On-Demand	Anodyne	DRD4	24	42
O=C(c1cccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071337	GG	On-Demand	Anodyne	SIGMAR1	15	40
O=C(c1cccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071337	GG	On-Demand	Anodyne	SSTR5	50	40
O=C(c1cccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071337	GG	On-Demand	Anodyne	CCR3	27	41
O=C(c1cccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071337	GG	On-Demand	Anodyne	CCR2	30	44
O=C(c1cccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071337	GG	On-Demand	Anodyne	MCHR1	33	42
O=C(c1cccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071338	GG	On-Demand	Anodyne	DRD4	24	42
O=C(c1cccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071338	GG	On-Demand	Anodyne	SIGMAR1	15	40
O=C(c1cccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071338	GG	On-Demand	Anodyne	SSTR5	50	40
O=C(c1cccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071338	GG	On-Demand	Anodyne	CCR3	27	41
O=C(c1cccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071338	GG	On-Demand	Anodyne	CCR2	30	44
O=C(c1cccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1)C(F)(F)F	ZINC000852071338	GG	On-Demand	Anodyne	MCHR1	33	42
O[C@@H](CN1CC[C@H](Nc2ccc3nccn3n2)C1)c1ccc(Cl)c(F)c1	ZINC000852071402	GF	On-Demand	Anodyne	MAPK1	35	40
O[C@@H](CN1CC[C@@H](Nc2ccc3nccn3n2)C1)c1ccc(Cl)c(F)c1	ZINC000852071403	GF	On-Demand	Anodyne	MAPK1	35	40
O[C@H](CN1CC[C@@H](Nc2ccc3nccn3n2)C1)c1ccc(Cl)c(F)c1	ZINC000852071404	GF	On-Demand	Anodyne	MAPK1	35	40
O[C@H](CN1CC[C@H](Nc2ccc3nccn3n2)C1)c1ccc(Cl)c(F)c1	ZINC000852071405	GF	On-Demand	Anodyne	MAPK1	35	40
O[C@@H](CN1CCC(c2cccc(Cl)c2Cl)CC1)c1ccccn1	ZINC000852071424	FI	On-Demand	Anodyne	OPRL1	17	41
O[C@H](CN1CCC(c2cccc(Cl)c2Cl)CC1)c1ccccn1	ZINC000852071425	FI	On-Demand	Anodyne	OPRL1	17	41
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071431	DD	On-Demand	Reactive	CCR2	82	45
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071431	DD	On-Demand	Reactive	ADCYAP1R1	41	35
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071431	DD	On-Demand	Reactive	KCNK3	30	44
CO[C@@H](C)CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071431	DD	On-Demand	Reactive	PDS	41	39
Cc1cncc(CCNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)n1	ZINC000852071432	FD	On-Demand	Reactive	RAF1	22	40
Cc1cncc(CCNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)n1	ZINC000852071432	FD	On-Demand	Reactive	CCR2	69	39
CCN(CC(C)(C)C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852071433	CD	On-Demand	Anodyne	CHRM4	18	50
CCN(CC(C)(C)C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852071433	CD	On-Demand	Anodyne	AMY2	66	50
CCN(CC(C)(C)C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852071433	CD	On-Demand	Anodyne	AOX1	18	41
CCN(CC(C)(C)C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852071434	CD	On-Demand	Anodyne	CHRM4	18	50
CCN(CC(C)(C)C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852071434	CD	On-Demand	Anodyne	AMY2	66	50
CCN(CC(C)(C)C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852071434	CD	On-Demand	Anodyne	AOX1	18	41
COCC[C@@H]1COCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852071435	DC	On-Demand	Anodyne	AMY2	42	29
COCC[C@H]1COCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852071436	DC	On-Demand	Anodyne	AMY2	42	29
COCC[C@H]1COCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852071437	DC	On-Demand	Anodyne	AMY2	42	29
COCC[C@@H]1COCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852071438	DC	On-Demand	Anodyne	AMY2	42	29
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071439	GF	On-Demand	Reactive	CCR2	82	39
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071440	GF	On-Demand	Reactive	CCR2	82	39
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852071447	GG	On-Demand	Reactive	CCR2	85	44
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852071447	GG	On-Demand	Reactive	EPHX2	31	43
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852071447	GG	On-Demand	Reactive	KCNK3	15	46
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071457	FE	On-Demand	Reactive	CACNA1B	55	37
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071457	FE	On-Demand	Reactive	CCR2	99	48
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071457	FE	On-Demand	Reactive	EPHX2	26	43
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071457	FE	On-Demand	Reactive	RBP4	71	32
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071458	FE	On-Demand	Reactive	CACNA1B	55	37
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071458	FE	On-Demand	Reactive	CCR2	99	48
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071458	FE	On-Demand	Reactive	EPHX2	26	43
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071458	FE	On-Demand	Reactive	RBP4	71	32
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071459	FE	On-Demand	Reactive	CACNA1B	55	37
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071459	FE	On-Demand	Reactive	CCR2	99	48
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071459	FE	On-Demand	Reactive	EPHX2	26	43
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071459	FE	On-Demand	Reactive	RBP4	71	32
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071460	FE	On-Demand	Reactive	CACNA1B	55	37
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071460	FE	On-Demand	Reactive	CCR2	99	48
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071460	FE	On-Demand	Reactive	EPHX2	26	43
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852071460	FE	On-Demand	Reactive	RBP4	71	32
O=C(NNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071463	GG	On-Demand	Reactive	CACNA1B	43	37
O=C(NNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071463	GG	On-Demand	Reactive	CCR2	86	43
O=C(NNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071463	GG	On-Demand	Reactive	EPHX2	21	40
O=C(NNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071463	GG	On-Demand	Reactive	RBP4	31	47
O=C(NNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071464	GG	On-Demand	Reactive	CACNA1B	43	37
O=C(NNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071464	GG	On-Demand	Reactive	CCR2	86	43
O=C(NNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071464	GG	On-Demand	Reactive	EPHX2	21	40
O=C(NNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071464	GG	On-Demand	Reactive	RBP4	31	47
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C[C@@](C)(C(F)F)O1	ZINC000852071466	GF	On-Demand	Reactive	CCR2	85	39
C[C@@H]1CN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C[C@](C)(C(F)F)O1	ZINC000852071467	GF	On-Demand	Reactive	CCR2	85	39
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071470	EG	On-Demand	Reactive	CCR2	83	44
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852071482	FD	On-Demand	Reactive	CACNA1B	34	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852071482	FD	On-Demand	Reactive	CCR2	78	41
O=C(NCCOCCF)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071504	ED	On-Demand	Reactive	CCR2	78	41
OC[C@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852071513	CD	On-Demand	Anodyne	SLC6A3	25	42
OC[C@@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852071514	CD	On-Demand	Anodyne	SLC6A3	25	42
Cc1ncsc1C(=O)NNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852071563	GD	On-Demand	Reactive	VHL	42	34
O=C(CN1CC[C@@H](Nc2ccc3nccn3n2)C1)Nc1ccc(Cl)nc1	ZINC000852071568	FD	On-Demand	Anodyne	AURKB	28	40
O=C(CN1CC[C@H](Nc2ccc3nccn3n2)C1)Nc1ccc(Cl)nc1	ZINC000852071569	FD	On-Demand	Anodyne	AURKB	28	40
C#CCOCCN1CCC([C@H](O)c2ccc(OC)cc2)CC1	ZINC000852071587	DE	On-Demand	Mild	HRH3	23	41
C#CCOCCN1CCC([C@@H](O)c2ccc(OC)cc2)CC1	ZINC000852071588	DE	On-Demand	Mild	HRH3	23	41
COc1ccc([C@@H](O)C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1	ZINC000852071605	EH	On-Demand	Anodyne	CHRM2	21	42
COc1ccc([C@@H](O)C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1	ZINC000852071605	EH	On-Demand	Anodyne	SLC6A4	17	42
COc1ccc([C@@H](O)C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1	ZINC000852071605	EH	On-Demand	Anodyne	SLC6A3	38	42
COc1ccc([C@@H](O)C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1	ZINC000852071605	EH	On-Demand	Anodyne	CHRM4	18	42
COc1ccc([C@@H](O)C2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1	ZINC000852071605	EH	On-Demand	Anodyne	SLC18A3	60	39
O=[N+]([O-])c1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)cc1F	ZINC000852071643	FE	On-Demand	Bother	SSTR5	42	37
O=[N+]([O-])c1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)cc1F	ZINC000852071644	FE	On-Demand	Bother	SSTR5	42	37
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852071662	GG	On-Demand	Reactive	CCR2	116	56
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852071662	GG	On-Demand	Reactive	SLC6A5	37	49
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852071662	GG	On-Demand	Reactive	EPHX2	21	47
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852071662	GG	On-Demand	Reactive	SFRP1	44	33
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852071663	GG	On-Demand	Reactive	CCR2	116	56
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852071663	GG	On-Demand	Reactive	SLC6A5	37	49
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852071663	GG	On-Demand	Reactive	EPHX2	21	47
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852071663	GG	On-Demand	Reactive	SFRP1	44	33
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071679	FG	On-Demand	Reactive	CACNA1B	46	34
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071679	FG	On-Demand	Reactive	CCR2	85	43
COCCN(CCF)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071686	FD	On-Demand	Reactive	CCR2	69	38
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000852071699	EE	On-Demand	Anodyne	AMY2	60	37
C=CCCSCCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071717	FF	On-Demand	Reactive	CCR2	61	37
O=C(NCCC1SCCS1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071736	GF	On-Demand	Reactive	CCR2	79	42
O=C(NNC(=O)N1CCC(c2ccon2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071737	GF	On-Demand	Reactive	CCR2	87	41
O=C(NNC(=O)N1CCC(c2ccon2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071737	GF	On-Demand	Reactive	RBP4	38	48
O=C(NNC(=O)N1CCC(c2ccon2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852071737	GF	On-Demand	Reactive	ETHR	47	34
COc1ccc([C@@H](O)C2CCN([C@@H]3CCO[C@H](C)C3)CC2)cc1	ZINC000852071766	DG	On-Demand	Anodyne	CHRM2	30	41
COc1ccc([C@@H](O)C2CCN([C@@H]3CCO[C@H](C)C3)CC2)cc1	ZINC000852071766	DG	On-Demand	Anodyne	CHRM4	15	41
COc1ccc([C@@H](O)C2CCN(C[C@H]3C[C@@H]4C[C@@H]4C3)CC2)cc1	ZINC000852071823	DG	On-Demand	Anodyne	SIGMAR1	15	50
COc1ccc([C@@H](O)C2CCN([C@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc1	ZINC000852071850	FD	On-Demand	Anodyne	CHRM2	21	42
COc1ccc([C@@H](O)C2CCN([C@H]3CS(=O)(=O)C[C@H]3OC)CC2)cc1	ZINC000852071850	FD	On-Demand	Anodyne	CHRM4	15	42
O=C(NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1)c1cccc(C(F)(F)F)c1	ZINC000852071885	GG	On-Demand	Reactive	CACNA1B	41	36
O=C(NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1)c1cccc(C(F)(F)F)c1	ZINC000852071885	GG	On-Demand	Reactive	CCR2	80	42
O=C(NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1)c1cccc(C(F)(F)F)c1	ZINC000852071886	GG	On-Demand	Reactive	CACNA1B	41	36
O=C(NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1)c1cccc(C(F)(F)F)c1	ZINC000852071886	GG	On-Demand	Reactive	CCR2	80	42
O=C(NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1)c1cccc(C(F)(F)F)c1	ZINC000852071887	GG	On-Demand	Reactive	CACNA1B	41	36
O=C(NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1)c1cccc(C(F)(F)F)c1	ZINC000852071887	GG	On-Demand	Reactive	CCR2	80	42
O=C(NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1)c1cccc(C(F)(F)F)c1	ZINC000852071888	GG	On-Demand	Reactive	CACNA1B	41	36
O=C(NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1)c1cccc(C(F)(F)F)c1	ZINC000852071888	GG	On-Demand	Reactive	CCR2	80	42
O=C(NCC1=CCCC1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071933	EF	On-Demand	Reactive	CCR2	80	42
O=C(NNC(=O)N1C[C@]23CCCC[C@]2(COC3)C1)c1cccc(C(F)(F)F)c1	ZINC000852071934	GF	On-Demand	Reactive	CCR2	77	39
O=C(NNC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1)c1cccc(C(F)(F)F)c1	ZINC000852071935	GF	On-Demand	Reactive	CCR2	77	39
O=C(NNC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1)c1cccc(C(F)(F)F)c1	ZINC000852071936	GF	On-Demand	Reactive	CCR2	77	39
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852071952	GE	On-Demand	Reactive	CCR2	111	45
Cc1ncsc1C(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852072005	FD	On-Demand	Reactive	DRD2	17	45
Cc1ncsc1C(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852072006	FD	On-Demand	Reactive	DRD2	17	45
COc1ccc([C@@H](O)C2CCN(CCCC(=O)NCC(C)C)CC2)cc1	ZINC000852072029	FF	On-Demand	Anodyne	HTR7	40	40
COc1ccc([C@@H](O)C2CCN(CCCC(=O)NCC(C)C)CC2)cc1	ZINC000852072029	FF	On-Demand	Anodyne	MTNR1A	25	41
COc1ccc([C@@H](O)C2CCN(CCCC(=O)NCC(C)C)CC2)cc1	ZINC000852072029	FF	On-Demand	Anodyne	MTNR1B	24	41
COc1ccc([C@@H](O)C2CCN(CC(=O)Nc3cnccn3)CC2)cc1	ZINC000852072045	FD	On-Demand	Anodyne	ACOX1	50	33
O=C1CCC2=C(CCN(C(=O)NNC(=O)c3cccc(C(F)(F)F)c3)C2)N1	ZINC000852072084	GD	On-Demand	Reactive	CCR2	58	37
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072096	GH	On-Demand	Reactive	CCR2	79	47
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072096	GH	On-Demand	Reactive	BTK	17	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072097	GH	On-Demand	Reactive	CCR2	79	47
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072097	GH	On-Demand	Reactive	BTK	17	41
CC[C@@H](NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000852072112	EF	On-Demand	Reactive	CACNA1B	40	34
CC[C@@H](NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000852072112	EF	On-Demand	Reactive	CCR2	92	46
CC[C@@H](NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000852072112	EF	On-Demand	Reactive	KCNK3	15	45
O=C(NCC1SCCS1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072121	FE	On-Demand	Reactive	KCNJ11	20	41
O=C(NCC1SCCS1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072121	FE	On-Demand	Reactive	CCR2	81	43
COc1ccc([C@@H](O)C2CCN(CCC3CCC3)CC2)cc1	ZINC000852072155	DH	On-Demand	Anodyne	SLC6A3	17	42
COc1ccc([C@@H](O)C2CCN(CCC3CCC3)CC2)cc1	ZINC000852072155	DH	On-Demand	Anodyne	SIGMAR1	19	50
COc1ccc([C@@H](O)C2CCN(CCC3CCC3)CC2)cc1	ZINC000852072155	DH	On-Demand	Anodyne	EBP	43	35
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCNC1=O	ZINC000852072165	EC	On-Demand	Reactive	CCR2	78	42
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCNC1=O	ZINC000852072167	EC	On-Demand	Reactive	CCR2	78	42
Cc1nnc(CN(C)C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)s1	ZINC000852072169	FE	On-Demand	Reactive	CCR2	66	39
FC(F)(F)c1cncc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1	ZINC000852072200	FF	On-Demand	Anodyne	SSTR5	40	36
FC(F)(F)c1cncc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1	ZINC000852072201	FF	On-Demand	Anodyne	SSTR5	40	36
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072303	GF	On-Demand	Reactive	CCR2	100	42
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072310	GG	On-Demand	Reactive	CCR2	77	40
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072325	EE	On-Demand	Reactive	CCR2	91	45
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072325	EE	On-Demand	Reactive	EPHX2	26	41
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072356	FH	On-Demand	Reactive	CCR2	83	47
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072357	FH	On-Demand	Reactive	CCR2	83	47
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072358	FH	On-Demand	Reactive	CCR2	83	47
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072359	FH	On-Demand	Reactive	CCR2	83	47
COC1CC(CCNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072360	FE	On-Demand	Reactive	CCR2	83	42
C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N1CCC(C(N)=O)CC1	ZINC000852072367	ID	On-Demand	Anodyne	Q6PRC7_IXORI	40	32
C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N1CCC(C(N)=O)CC1	ZINC000852072368	ID	On-Demand	Anodyne	Q6PRC7_IXORI	40	32
COC(=O)[C@@](C)(NC[C@@](O)(C(N)=O)c1ccccc1)c1ccc(F)cc1	ZINC000852072370	FD	On-Demand	Anodyne	AMY2	53	32
COC(=O)[C@@](C)(NC[C@](O)(C(N)=O)c1ccccc1)c1ccc(F)cc1	ZINC000852072371	FD	On-Demand	Anodyne	AMY2	53	32
CN(CC1=CCCOC1)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072375	FE	On-Demand	Reactive	CCR2	64	39
COC[C@H](NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000852072378	GE	On-Demand	Reactive	CCR2	83	41
COC[C@@H](NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000852072379	GE	On-Demand	Reactive	CCR2	83	41
C=CCOCCCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072397	EE	On-Demand	Reactive	CCR2	71	38
C=CCOCCCNC(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072397	EE	On-Demand	Reactive	ADCYAP1R1	41	34
O=C(NCCCc1ccco1)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072402	FF	On-Demand	Reactive	CCR2	63	36
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072413	FG	On-Demand	Reactive	CACNA1B	50	36
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072413	FG	On-Demand	Reactive	CCR2	97	43
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072416	EE	On-Demand	Reactive	NPY2R	15	40
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072416	EE	On-Demand	Reactive	CACNA1B	57	38
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072416	EE	On-Demand	Reactive	CCR2	103	49
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072416	EE	On-Demand	Reactive	EPHX2	28	44
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072416	EE	On-Demand	Reactive	RBP4	79	37
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072416	EE	On-Demand	Reactive	BTK	19	41
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072416	EE	On-Demand	Reactive	LIPG	40	34
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072416	EE	On-Demand	Reactive	KCNK3	17	46
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072417	EE	On-Demand	Reactive	NPY2R	15	40
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072417	EE	On-Demand	Reactive	CACNA1B	57	38
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072417	EE	On-Demand	Reactive	CCR2	103	49
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072417	EE	On-Demand	Reactive	EPHX2	28	44
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072417	EE	On-Demand	Reactive	RBP4	79	37
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072417	EE	On-Demand	Reactive	BTK	19	41
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072417	EE	On-Demand	Reactive	LIPG	40	34
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072417	EE	On-Demand	Reactive	KCNK3	17	46
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072418	EE	On-Demand	Reactive	NPY2R	15	40
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072418	EE	On-Demand	Reactive	CACNA1B	57	38
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072418	EE	On-Demand	Reactive	CCR2	103	49
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072418	EE	On-Demand	Reactive	EPHX2	28	44
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072418	EE	On-Demand	Reactive	RBP4	79	37
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072418	EE	On-Demand	Reactive	BTK	19	41
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072418	EE	On-Demand	Reactive	LIPG	40	34
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072418	EE	On-Demand	Reactive	KCNK3	17	46
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072419	EE	On-Demand	Reactive	NPY2R	15	40
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072419	EE	On-Demand	Reactive	CACNA1B	57	38
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072419	EE	On-Demand	Reactive	CCR2	103	49
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072419	EE	On-Demand	Reactive	EPHX2	28	44
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072419	EE	On-Demand	Reactive	RBP4	79	37
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072419	EE	On-Demand	Reactive	BTK	19	41
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072419	EE	On-Demand	Reactive	LIPG	40	34
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1	ZINC000852072419	EE	On-Demand	Reactive	KCNK3	17	46
O=C(NCCCN1C(=O)CCC1=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852072420	GC	On-Demand	Clean	CCR3	19	44
CN(CC1=CCSC1)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	ZINC000852072429	FF	On-Demand	Reactive	CCR2	73	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072435	FF	On-Demand	Reactive	CACNA1B	54	36
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072435	FF	On-Demand	Reactive	CCR2	118	50
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072435	FF	On-Demand	Reactive	SLC6A5	35	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072435	FF	On-Demand	Reactive	EPHX2	30	48
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072435	FF	On-Demand	Reactive	MCHR1	15	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072435	FF	On-Demand	Reactive	SFRP1	102	37
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072435	FF	On-Demand	Reactive	WNT3	53	32
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072436	FF	On-Demand	Reactive	CACNA1B	54	36
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072436	FF	On-Demand	Reactive	CCR2	118	50
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072436	FF	On-Demand	Reactive	SLC6A5	35	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072436	FF	On-Demand	Reactive	EPHX2	30	48
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072436	FF	On-Demand	Reactive	MCHR1	15	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072436	FF	On-Demand	Reactive	SFRP1	102	37
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072436	FF	On-Demand	Reactive	WNT3	53	32
O=C(NNC(=O)N1CCN([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852072437	GD	On-Demand	Reactive	CACNA1B	46	35
O=C(NNC(=O)N1CCN([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852072437	GD	On-Demand	Reactive	CCR2	106	45
O=C(NNC(=O)N1CCN([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852072438	GD	On-Demand	Reactive	CACNA1B	46	35
O=C(NNC(=O)N1CCN([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852072438	GD	On-Demand	Reactive	CCR2	106	45
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@H](CO)C1CCC1	ZINC000852072441	ED	On-Demand	Reactive	CCR2	85	48
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H](CO)C1CCC1	ZINC000852072442	ED	On-Demand	Reactive	CCR2	85	48
C[C@@]1(C#N)CCN(C(=O)NNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000852072451	EE	On-Demand	Reactive	CCR2	83	40
O=C(NNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1cccc(C(F)(F)F)c1	ZINC000852072457	EF	On-Demand	Reactive	CACNA1B	56	37
O=C(NNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1cccc(C(F)(F)F)c1	ZINC000852072457	EF	On-Demand	Reactive	CCR2	102	46
O=C(NNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1cccc(C(F)(F)F)c1	ZINC000852072457	EF	On-Demand	Reactive	RBP4	53	34
COCc1csc(CNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000852072459	GG	On-Demand	Reactive	CCR2	76	39
COCc1csc(CNC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000852072459	GG	On-Demand	Reactive	ADCYAP1R1	40	35
Cn1cc([C@@H](NCC(=O)NOCc2ccccc2)C2(CO)CCC2)cn1	ZINC000852072460	FD	On-Demand	Anodyne	SLC12A5	42	35
O=CN1CCCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852072467	CE	On-Demand	Anodyne	SIGMAR1	23	51
O=CN1CCCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852072467	CE	On-Demand	Anodyne	EBP	28	51
O=CN1CCCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852072468	CE	On-Demand	Anodyne	SIGMAR1	23	51
O=CN1CCCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852072468	CE	On-Demand	Anodyne	EBP	28	51
O=C1CCC2=C(CCN(C(=O)NCCOc3ccccc3C(F)(F)F)C2)N1	ZINC000852072514	GF	On-Demand	Anodyne	RBP4	52	36
N#C[C@@H](c1ccccc1)N1CCCN(C=O)CC1	ZINC000852072586	BD	On-Demand	Mild	PTAFR	39	47
N#C[C@H](c1ccccc1)N1CCCN(C=O)CC1	ZINC000852072587	BD	On-Demand	Mild	PTAFR	39	47
C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1csc2ccccc12	ZINC000852072588	DH	On-Demand	Mild	FFAR2	41	37
C[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1csc2ccccc12	ZINC000852072590	DH	On-Demand	Mild	FFAR2	41	37
N#CCc1ccc(OC[C@@H](O)CN2CCCN(C=O)CC2)cc1	ZINC000852072604	DC	On-Demand	Mild	ACOX1	66	33
N#CCc1ccc(OC[C@@H](O)CN2CCCN(C=O)CC2)cc1	ZINC000852072604	DC	On-Demand	Mild	ABCB1	70	48
N#CCc1ccc(OC[C@H](O)CN2CCCN(C=O)CC2)cc1	ZINC000852072605	DC	On-Demand	Mild	ACOX1	66	33
N#CCc1ccc(OC[C@H](O)CN2CCCN(C=O)CC2)cc1	ZINC000852072605	DC	On-Demand	Mild	ABCB1	70	48
C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852072609	FG	On-Demand	Mild	DRD4	20	44
C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852072609	FG	On-Demand	Mild	SIGMAR1	15	47
C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852072610	FG	On-Demand	Mild	DRD4	20	44
C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852072610	FG	On-Demand	Mild	SIGMAR1	15	47
Cn1cc([C@@H](NCCc2ccc(S(N)(=O)=O)cc2)C2(CO)CCC2)cn1	ZINC000852072646	GD	On-Demand	Anodyne	CA2	49	42
Cn1cc([C@@H](NCCc2ccc(S(N)(=O)=O)cc2)C2(CO)CCC2)cn1	ZINC000852072646	GD	On-Demand	Anodyne	CA1	50	41
Cn1cc([C@@H](NCCc2ccc(S(N)(=O)=O)cc2)C2(CO)CCC2)cn1	ZINC000852072646	GD	On-Demand	Anodyne	CA4	28	40
Cn1cc([C@@H](NCCc2ccc(S(N)(=O)=O)cc2)C2(CO)CCC2)cn1	ZINC000852072646	GD	On-Demand	Anodyne	CA14	26	42
Cn1cc([C@@H](NCCc2ccc(S(N)(=O)=O)cc2)C2(CO)CCC2)cn1	ZINC000852072646	GD	On-Demand	Anodyne	CA12	32	42
Cn1cc([C@@H](NCCc2ccc(S(N)(=O)=O)cc2)C2(CO)CCC2)cn1	ZINC000852072646	GD	On-Demand	Anodyne	CA9	41	42
O=CN1CCCN(Cc2nsc3ccccc23)CC1	ZINC000852072661	CD	On-Demand	Anodyne	HTR1A	16	40
O=CN1CCCN(Cc2nsc3ccccc23)CC1	ZINC000852072661	CD	On-Demand	Anodyne	DRD2	20	42
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1csc2ccccc12	ZINC000852072683	FH	On-Demand	Anodyne	CALCRL	18	41
O=CN1CCCN(CCc2cccnc2)CC1	ZINC000852072687	BC	On-Demand	Anodyne	CHRNA7	40	41
CCN(CCN1C[C@H](C)O[C@@H](C)C1)C[C@H](C)OC	ZINC000852072692	CD	On-Demand	Anodyne	ERG2	17	40
CCN(CCN1C[C@H](C)O[C@@H](C)C1)C[C@H](C)OC	ZINC000852072692	CD	On-Demand	Anodyne	Q2TU57_MAIZE	18	40
CCN(CCN1C[C@H](C)O[C@H](C)C1)C[C@@H](C)OC	ZINC000852072693	CD	On-Demand	Anodyne	ERG2	17	40
CCN(CCN1C[C@H](C)O[C@H](C)C1)C[C@@H](C)OC	ZINC000852072693	CD	On-Demand	Anodyne	Q2TU57_MAIZE	18	40
CCN(CCN1C[C@H](C)O[C@H](C)C1)C[C@H](C)OC	ZINC000852072694	CD	On-Demand	Anodyne	ERG2	17	40
CCN(CCN1C[C@H](C)O[C@H](C)C1)C[C@H](C)OC	ZINC000852072694	CD	On-Demand	Anodyne	Q2TU57_MAIZE	18	40
CCN(CCN1C[C@H](C)O[C@@H](C)C1)C[C@@H](C)OC	ZINC000852072695	CD	On-Demand	Anodyne	ERG2	17	40
CCN(CCN1C[C@H](C)O[C@@H](C)C1)C[C@@H](C)OC	ZINC000852072695	CD	On-Demand	Anodyne	Q2TU57_MAIZE	18	40
Cn1cc([C@@H](NC[C@H]2CC(c3ccc(Cl)cc3)=NO2)C2(CO)CCC2)cn1	ZINC000852072702	GG	On-Demand	Anodyne	LUCI_PHOPY	43	40
Cn1cc([C@@H](NC[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C2(CO)CCC2)cn1	ZINC000852072704	GG	On-Demand	Anodyne	LUCI_PHOPY	43	40
COCCN(CCF)C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1	ZINC000852072720	FF	On-Demand	Anodyne	MT-ND1	25	40
O=CN1CCCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852072726	CF	On-Demand	Anodyne	SLC18A3	22	40
COc1cccc(SCCN2CCCN(C=O)CC2)c1	ZINC000852072780	CD	On-Demand	Anodyne	HTR1A	19	42
COc1cccc(SCCN2CCCN(C=O)CC2)c1	ZINC000852072780	CD	On-Demand	Anodyne	DRD4	46	36
COc1cccc(SCCN2CCCN(C=O)CC2)c1	ZINC000852072780	CD	On-Demand	Anodyne	DRD3	16	45
COc1cccc(SCCN2CCCN(C=O)CC2)c1	ZINC000852072780	CD	On-Demand	Anodyne	SIGMAR1	19	45
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072836	FF	On-Demand	Mild	DRD4	22	43
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072836	FF	On-Demand	Mild	SIGMAR1	21	47
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072836	FF	On-Demand	Mild	MTNR1A	15	47
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072836	FF	On-Demand	Mild	MTNR1B	15	47
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072836	FF	On-Demand	Mild	EPHX2	22	44
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072836	FF	On-Demand	Mild	PDK1	40	33
C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072836	FF	On-Demand	Mild	MCHR1	20	43
C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072837	FF	On-Demand	Mild	DRD4	22	43
C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072837	FF	On-Demand	Mild	SIGMAR1	21	47
C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072837	FF	On-Demand	Mild	MTNR1A	15	47
C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072837	FF	On-Demand	Mild	MTNR1B	15	47
C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072837	FF	On-Demand	Mild	EPHX2	22	44
C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072837	FF	On-Demand	Mild	PDK1	40	33
C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852072837	FF	On-Demand	Mild	MCHR1	20	43
O=CN1CCCN(Cc2ccc(C3CC3)cc2)CC1	ZINC000852072857	CE	On-Demand	Anodyne	DRD4	32	40
O=CN1CCCN(Cc2ccc(C3CC3)cc2)CC1	ZINC000852072857	CE	On-Demand	Anodyne	HRH3	27	43
O=CN1CCCN(Cc2ccc(C3CC3)cc2)CC1	ZINC000852072857	CE	On-Demand	Anodyne	SIGMAR1	48	41
C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852072873	GG	On-Demand	Mild	TACR2	56	36
C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852072873	GG	On-Demand	Mild	EPHX2	21	44
C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852072874	GG	On-Demand	Mild	TACR2	56	36
C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852072874	GG	On-Demand	Mild	EPHX2	21	44
Nc1cccc(CN2CCCN(C=O)CC2)c1	ZINC000852072887	BC	On-Demand	Anodyne	HRH2	24	40
Nc1cccc(CN2CCCN(C=O)CC2)c1	ZINC000852072887	BC	On-Demand	Anodyne	SIGMAR1	36	45
COC(=O)c1ccc2nc(CN3CCCN(C=O)CC3)[nH]c2c1	ZINC000852072905	DD	On-Demand	Anodyne	DRD4	17	45
C=C(C)CN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852072948	DE	On-Demand	Reactive	F10	31	41
O=CN1CCCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852072974	BC	On-Demand	Anodyne	SLC18A3	52	48
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@@H]1CCOC1=O	ZINC000852073056	CD	On-Demand	Anodyne	LUXR	46	34
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@H]1CCOC1=O	ZINC000852073066	CD	On-Demand	Anodyne	LUXR	46	34
COC(=O)N(C)CCNC(=O)NCC(C)(C)c1ccc(OC)c(OC)c1	ZINC000852073068	FD	On-Demand	Anodyne	MT-ND1	27	40
CNC(=O)[C@H]1Cc2ccccc2N1CCCS(=O)(=O)CCOC	ZINC000852073074	EC	On-Demand	Anodyne	ADAM9	76	38
CNC(=O)[C@H]1Cc2ccccc2N1C/C=C(\C)C(=O)OC	ZINC000852073089	CD	On-Demand	Anodyne	ADAM9	46	34
CNC(=O)[C@H]1Cc2ccccc2N1C/C=C(/C)C(=O)OC	ZINC000852073090	CD	On-Demand	Anodyne	ADAM9	46	34
O=C(NCCCN1CCCCC1=O)NNC(=O)c1cccc(F)n1	ZINC000852073134	EC	On-Demand	Reactive	TYRO3	21	41
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(c2ccccc2)C1	ZINC000852073159	GG	On-Demand	Anodyne	DRD4	19	44
Cc1nonc1CN[C@H](c1cnn(C)c1)C1(CO)CCC1	ZINC000852073189	CD	On-Demand	Anodyne	CASP7	48	33
Cc1nonc1CN[C@@H](c1cnn(C)c1)C1(CO)CCC1	ZINC000852073190	CD	On-Demand	Anodyne	CASP7	48	33
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852073193	GG	On-Demand	Anodyne	DRD4	19	44
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(c2ccccc2)C1	ZINC000852073195	GG	On-Demand	Anodyne	DRD4	19	44
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852073197	GG	On-Demand	Anodyne	DRD4	19	44
O=CN1CCCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1	ZINC000852073202	DD	On-Demand	Anodyne	SIGMAR1	22	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCO[C@@](C)(C3CC3)C2)C1	ZINC000852073209	GF	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCO[C@@](C)(C3CC3)C2)C1	ZINC000852073210	GF	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCO[C@](C)(C3CC3)C2)C1	ZINC000852073212	GF	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCO[C@](C)(C3CC3)C2)C1	ZINC000852073213	GF	On-Demand	Anodyne	GPR119	17	41
O=CN1CCCN(CCc2nsc3ccccc23)CC1	ZINC000852073214	CE	On-Demand	Anodyne	HTR1A	20	41
O=CN1CCCN(CCc2nsc3ccccc23)CC1	ZINC000852073214	CE	On-Demand	Anodyne	DRD2	26	41
Cc1ccncc1CCNC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852073215	GF	On-Demand	Anodyne	GPR119	42	43
Cc1ccncc1CCNC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852073216	GF	On-Demand	Anodyne	GPR119	42	43
COC(=O)N(C)CCNC(=O)NCCOc1ccccc1C(F)(F)F	ZINC000852073221	FE	On-Demand	Anodyne	RBP4	17	49
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852073237	GF	On-Demand	Anodyne	DRD4	19	44
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852073237	GF	On-Demand	Anodyne	ACHE	28	44
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852073237	GF	On-Demand	Anodyne	HTR4	42	36
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852073237	GF	On-Demand	Anodyne	SIGMAR1	26	42
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852073237	GF	On-Demand	Anodyne	CCR3	43	41
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852073237	GF	On-Demand	Anodyne	CACNA1I	65	38
C#CCN1CCN(C(=O)CN2c3ccccc3C[C@H]2C(=O)NC)CC1	ZINC000852073239	EB	On-Demand	Mild	TPP2	16	43
C#CCN1CCN(C(=O)CN2c3ccccc3C[C@@H]2C(=O)NC)CC1	ZINC000852073240	EB	On-Demand	Mild	TPP2	16	43
CNC(=O)[C@H]1Cc2ccccc2N1CCc1cccs1	ZINC000852073252	CE	On-Demand	Anodyne	ADAM9	58	38
CNC(=O)[C@H]1Cc2ccccc2N1CCc1cccs1	ZINC000852073252	CE	On-Demand	Anodyne	TPP2	17	47
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000852073274	FD	On-Demand	Anodyne	CTSF	54	36
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000852073276	FD	On-Demand	Anodyne	CTSF	54	36
O=CN1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852073277	DG	On-Demand	Anodyne	SIGMAR1	20	46
O=C(NCCOc1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852073280	GE	On-Demand	Anodyne	RBP4	81	37
O=C(NCCOc1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852073280	GE	On-Demand	Anodyne	SCD	24	40
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cnc(C)cn1	ZINC000852073282	CD	On-Demand	Anodyne	TPP2	57	37
O=C(NCCOc1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852073283	GE	On-Demand	Anodyne	RBP4	81	37
O=C(NCCOc1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852073283	GE	On-Demand	Anodyne	SCD	24	40
O=C(NCCCN1CCCCC1=O)NNc1ccc(Cl)cn1	ZINC000852073287	ED	On-Demand	Reactive	TYRO3	23	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4ccc(F)cc43)C2)cc1	ZINC000852073296	FG	On-Demand	Clean	CCR3	22	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4ccc(F)cc43)C2)cc1	ZINC000852073298	FG	On-Demand	Clean	CCR3	22	40
CNC(=O)[C@H]1Cc2ccccc2N1CCOC1CCCCCC1	ZINC000852073329	DF	On-Demand	Anodyne	ADAM9	57	33
Cn1cc([C@@H](NCCC(=O)OCc2ccccc2)C2(CO)CCC2)cn1	ZINC000852073371	FE	On-Demand	Anodyne	SLC12A5	58	35
CNC(=O)[C@H]1Cc2ccccc2N1CCCOc1ccc(C#N)cc1	ZINC000852073392	EF	On-Demand	Mild	LTA4H	28	42
CNC(=O)[C@H]1Cc2ccccc2N1CCCOc1ccc(C#N)cc1	ZINC000852073392	EF	On-Demand	Mild	HRH3	15	41
CNC(=O)[C@H]1Cc2ccccc2N1CCCOc1ccc(C#N)cc1	ZINC000852073392	EF	On-Demand	Mild	ADAM17	16	41
CNC(=O)[C@H]1Cc2ccccc2N1CCCOc1ccc(C#N)cc1	ZINC000852073392	EF	On-Demand	Mild	MMP3	26	42
CNC(=O)[C@H]1Cc2ccccc2N1CCCOc1ccc(C#N)cc1	ZINC000852073392	EF	On-Demand	Mild	ADAM9	71	41
CNC(=O)[C@H]1Cc2ccccc2N1CCCOc1ccc(C#N)cc1	ZINC000852073392	EF	On-Demand	Mild	MMP1	21	41
CNC(=O)[C@H]1Cc2ccccc2N1CCCOc1ccc(C#N)cc1	ZINC000852073392	EF	On-Demand	Mild	MEN1	41	39
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cccc(Cl)n1	ZINC000852073402	DE	On-Demand	Anodyne	TPP2	53	35
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852073413	GD	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852073414	GD	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852073415	GD	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852073416	GD	On-Demand	Anodyne	GPR119	29	46
COC(=O)N(C)CCNC(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C	ZINC000852073422	FF	On-Demand	Anodyne	MTNR1A	51	39
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C	ZINC000852073423	FF	On-Demand	Anodyne	MTNR1A	51	39
CNC(=O)[C@H]1Cc2ccccc2N1CCCCCCO	ZINC000852073427	CD	On-Demand	Anodyne	ADAM9	63	38
CNC(=O)[C@H]1Cc2ccccc2N1CCCCCCO	ZINC000852073427	CD	On-Demand	Anodyne	TPP2	26	51
Cn1cc([C@@H](NCC(=O)OCc2ccccc2)C2(CO)CCC2)cn1	ZINC000852073435	ED	On-Demand	Anodyne	SLC12A5	63	36
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852073441	GF	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852073442	GF	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852073443	GF	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852073445	GF	On-Demand	Anodyne	GPR119	28	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	DRD2	19	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	DRD4	32	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	DRD3	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	LTA4H	16	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	EDNRA	23	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	SIGMAR1	27	51
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	CCR3	22	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	SLC18A3	25	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	MTNR1A	23	57
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	MTNR1B	25	57
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	MMP3	42	38
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	EPHX2	37	51
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073458	GF	On-Demand	Clean	MCHR1	23	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	DRD2	19	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	DRD4	32	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	DRD3	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	LTA4H	16	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	EDNRA	23	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	SIGMAR1	27	51
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	CCR3	22	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	SLC18A3	25	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	MTNR1A	23	57
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	MTNR1B	25	57
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	MMP3	42	38
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	EPHX2	37	51
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3)C2)cc1	ZINC000852073464	GF	On-Demand	Clean	MCHR1	23	46
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(OC(C)C)cc1	ZINC000852073480	DG	On-Demand	Anodyne	DRD4	20	40
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(OC(C)C)cc1	ZINC000852073480	DG	On-Demand	Anodyne	ADAM9	63	34
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(F)cc2F)C1	ZINC000852073503	ED	On-Demand	Anodyne	CCR3	22	40
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(F)cc2F)C1	ZINC000852073505	ED	On-Demand	Anodyne	CCR3	22	40
CCOC(=O)C1=C(CN2c3ccccc3C[C@H]2C(=O)NC)NC(=O)N[C@@H]1C	ZINC000852073523	FC	On-Demand	Anodyne	TPP2	24	43
CCOC(=O)C1=C(CN2c3ccccc3C[C@@H]2C(=O)NC)NC(=O)N[C@@H]1C	ZINC000852073524	FC	On-Demand	Anodyne	TPP2	24	43
CCOC(=O)C1=C(CN2c3ccccc3C[C@H]2C(=O)NC)NC(=O)N[C@H]1C	ZINC000852073525	FC	On-Demand	Anodyne	TPP2	24	43
CCOC(=O)C1=C(CN2c3ccccc3C[C@@H]2C(=O)NC)NC(=O)N[C@H]1C	ZINC000852073526	FC	On-Demand	Anodyne	TPP2	24	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCN(c2ccccc2)C1	ZINC000852073527	GF	On-Demand	Clean	DRD4	17	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCN(c2ccccc2)C1	ZINC000852073527	GF	On-Demand	Clean	EPHX2	18	50
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852073528	GF	On-Demand	Clean	DRD4	17	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852073528	GF	On-Demand	Clean	EPHX2	18	50
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852073529	EF	On-Demand	Reactive	F10	23	41
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(c2ccccc2)C1	ZINC000852073530	EF	On-Demand	Reactive	F10	23	41
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(=O)NC(C)C	ZINC000852073536	GD	On-Demand	Anodyne	KCNQ2	48	33
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(=O)NC(C)C	ZINC000852073536	GD	On-Demand	Anodyne	TPP2	53	34
O=CN1CCCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852073573	BC	On-Demand	Anodyne	SLC18A3	58	53
C=C(C)CN1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852073581	GE	On-Demand	Mild	PDK1	40	34
O=CN1CCCN(CCOCc2ccccc2)CC1	ZINC000852073590	CD	On-Demand	Anodyne	SLC6A3	27	49
O=CN1CCCN(CCOCc2ccccc2)CC1	ZINC000852073590	CD	On-Demand	Anodyne	LTA4H	49	51
O=CN1CCCN(CCOCc2ccccc2)CC1	ZINC000852073590	CD	On-Demand	Anodyne	HRH3	31	48
O=CN1CCCN(CCOCc2ccccc2)CC1	ZINC000852073590	CD	On-Demand	Anodyne	SIGMAR1	46	49
CNC(=O)[C@H]1Cc2ccccc2N1CCC1OCCCO1	ZINC000852073654	CD	On-Demand	Anodyne	ADAM9	41	32
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cscn1	ZINC000852073672	CD	On-Demand	Anodyne	TPP2	42	38
CNC(=O)[C@H]1Cc2ccccc2N1Cc1nnc(C(C)(C)C)o1	ZINC000852073681	DE	On-Demand	Anodyne	TPP2	17	44
O=C(NCCCN1CCCCC1=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852073689	FF	On-Demand	Anodyne	TYRO3	19	41
O=C(NCCCN1CCCCC1=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852073691	FF	On-Demand	Anodyne	TYRO3	19	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852073699	GH	On-Demand	Anodyne	GPR119	39	46
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852073700	GH	On-Demand	Anodyne	GPR119	39	46
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852073701	GH	On-Demand	Anodyne	GPR119	39	46
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852073703	GH	On-Demand	Anodyne	GPR119	39	46
N#Cc1ccc(CCN2CCCN(C=O)CC2)cc1	ZINC000852073735	CD	On-Demand	Mild	HRH3	18	52
N#Cc1ccc(CCN2CCCN(C=O)CC2)cc1	ZINC000852073735	CD	On-Demand	Mild	KCNJ1	65	69
CC(C)c1cccc(CN2CCCN(C=O)CC2)c1	ZINC000852073757	CE	On-Demand	Anodyne	DRD2	15	46
CC(C)c1cccc(CN2CCCN(C=O)CC2)c1	ZINC000852073757	CE	On-Demand	Anodyne	SLC6A3	21	42
CC(C)c1cccc(CN2CCCN(C=O)CC2)c1	ZINC000852073757	CE	On-Demand	Anodyne	SIGMAR1	28	42
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(C)cc1	ZINC000852073780	DF	On-Demand	Anodyne	DRD4	18	42
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(C)cc1	ZINC000852073780	DF	On-Demand	Anodyne	LTA4H	41	47
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(C)cc1	ZINC000852073780	DF	On-Demand	Anodyne	MMP3	30	42
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(C)cc1	ZINC000852073780	DF	On-Demand	Anodyne	ADAM9	62	39
COc1ccc(N2CC[C@H](NC(=O)NCCn3c(=O)oc4ccccc43)C2)cc1	ZINC000852073782	GE	On-Demand	Clean	DRD4	42	33
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1csc2ccccc12	ZINC000852073797	EH	On-Demand	Anodyne	MAPK1	46	36
O=C(NCCOc1ccccc1C(F)(F)F)N[C@@H]1C=CCC1	ZINC000852073831	DG	On-Demand	Anodyne	RBP4	43	36
O=C(NCCOc1ccccc1C(F)(F)F)N[C@H]1C=CCC1	ZINC000852073832	DG	On-Demand	Anodyne	RBP4	43	36
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@H]2C(=O)NC)CC1	ZINC000852073850	GC	On-Demand	Anodyne	ADAM9	52	34
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@H]2C(=O)NC)CC1	ZINC000852073850	GC	On-Demand	Anodyne	TPP2	42	46
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@H]2C(=O)NC)CC1	ZINC000852073850	GC	On-Demand	Anodyne	CCR8	33	43
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@@H]2C(=O)NC)CC1	ZINC000852073851	GC	On-Demand	Anodyne	ADAM9	52	34
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@@H]2C(=O)NC)CC1	ZINC000852073851	GC	On-Demand	Anodyne	TPP2	42	46
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@@H]2C(=O)NC)CC1	ZINC000852073851	GC	On-Demand	Anodyne	CCR8	33	43
COC1CC(CCNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852073856	FF	On-Demand	Anodyne	GPR119	26	41
COC1CC(CCNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852073857	FF	On-Demand	Anodyne	GPR119	26	41
O=C(NCCCN1CCCCC1=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852073858	GF	On-Demand	Anodyne	TYRO3	21	41
O=C(NCCCN1CCCCC1=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852073859	GF	On-Demand	Anodyne	TYRO3	21	41
CNC(=O)[C@H]1Cc2ccccc2N1CC(F)(F)C(F)F	ZINC000852073878	CE	On-Demand	Anodyne	TPP2	40	39
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NNC(=O)Cc1nc(C)cs1	ZINC000852073904	GC	On-Demand	Reactive	TPP2	53	33
CNC(=O)[C@H]1Cc2ccccc2N1CCCCCCCO	ZINC000852073932	CE	On-Demand	Anodyne	ADAM9	63	38
CNC(=O)[C@H]1Cc2ccccc2N1CCCCCCCO	ZINC000852073932	CE	On-Demand	Anodyne	TPP2	26	51
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852073941	CD	On-Demand	Anodyne	EPHX2	22	48
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2)C1	ZINC000852073942	CD	On-Demand	Anodyne	EPHX2	22	48
Cn1cc([C@@H](NCc2cscn2)C2(CO)CCC2)cn1	ZINC000852073945	CD	On-Demand	Anodyne	GPR142	33	43
CNC(=O)[C@H]1Cc2ccccc2N1CCN1C(=O)c2ccccc2C1=O	ZINC000852073951	ED	On-Demand	Anodyne	ADAM9	41	32
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cccnc1Cl	ZINC000852073982	DE	On-Demand	Anodyne	G2YM83_BOTF4	47	36
O=C(NCCCN1CCCCC1=O)NCc1ncccn1	ZINC000852073986	CC	On-Demand	Anodyne	TYRO3	20	41
O=C(NCc1ccc(Br)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852074001	FE	On-Demand	Anodyne	NPSR1	27	41
O=C(NCc1ccc(Br)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852074002	FE	On-Demand	Anodyne	NPSR1	27	41
C#CCNC(=O)CN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074019	CB	On-Demand	Mild	TPP2	25	47
C#CCNC(=O)CN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074020	CB	On-Demand	Mild	TPP2	25	47
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)N1CCO[C@H](C)C1	ZINC000852074023	DC	On-Demand	Anodyne	TPP2	16	43
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)N1CCO[C@@H](C)C1	ZINC000852074024	DC	On-Demand	Anodyne	TPP2	16	43
Cn1cc([C@@H](NCc2cc(=O)oc3cc(O)ccc23)C2(CO)CCC2)cn1	ZINC000852074035	FE	On-Demand	Anodyne	HSD17B3	26	43
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1cccc(F)c1	ZINC000852074047	DE	On-Demand	Anodyne	CFTR	46	35
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1cccc(F)c1	ZINC000852074047	DE	On-Demand	Anodyne	ADAM9	59	41
O=C(NCCCN1CCCCC1=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852074056	GD	On-Demand	Clean	CCR3	19	42
O=C(NCCCN1CCCCC1=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852074056	GD	On-Demand	Clean	TYRO3	21	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2ccc3occc3c2)C1	ZINC000852074075	GH	On-Demand	Anodyne	GPR119	35	42
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2ccc3occc3c2)C1	ZINC000852074076	GH	On-Demand	Anodyne	GPR119	35	42
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C(N)=O)CCC2	ZINC000852074078	GD	On-Demand	Anodyne	TPP2	18	40
C=C(Cl)CN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074081	CD	On-Demand	Mild	ADAM9	54	34
C=C(Cl)CN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074081	CD	On-Demand	Mild	TPP2	57	40
C=C(Cl)CN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074082	CD	On-Demand	Mild	ADAM9	54	34
C=C(Cl)CN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074082	CD	On-Demand	Mild	TPP2	57	40
C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852074087	GE	On-Demand	Anodyne	SFRP1	73	34
C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852074087	GE	On-Demand	Anodyne	WNT3	47	31
C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852074088	GE	On-Demand	Anodyne	SFRP1	73	34
C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852074088	GE	On-Demand	Anodyne	WNT3	47	31
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(c2ccc(F)cc2F)C1	ZINC000852074093	DF	On-Demand	Anodyne	CCR3	15	41
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(c2ccc(F)cc2F)C1	ZINC000852074094	DF	On-Demand	Anodyne	CCR3	15	41
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(c2ccc(F)cc2F)C1	ZINC000852074095	DF	On-Demand	Anodyne	CCR3	15	41
O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)N[C@H]1C=CCC1	ZINC000852074096	DF	On-Demand	Anodyne	CCR3	15	41
CNC(=O)[C@H]1Cc2ccccc2N1CCCN1CCOC1=O	ZINC000852074101	DD	On-Demand	Anodyne	ADAM9	52	35
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCC(c3ccco3)CC2)C1	ZINC000852074107	GH	On-Demand	Anodyne	GPR119	35	42
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCC(c3ccco3)CC2)C1	ZINC000852074108	GH	On-Demand	Anodyne	GPR119	35	42
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1SC(F)F	ZINC000852074118	GG	On-Demand	Anodyne	KCNQ2	41	32
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](O)c1cccc(F)c1	ZINC000852074124	DE	On-Demand	Anodyne	SLC6A2	16	49
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](O)c1cccc(F)c1	ZINC000852074124	DE	On-Demand	Anodyne	KCNQ2	27	41
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](O)c1cccc(F)c1	ZINC000852074126	DE	On-Demand	Anodyne	SLC6A2	16	49
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](O)c1cccc(F)c1	ZINC000852074126	DE	On-Demand	Anodyne	KCNQ2	27	41
CNC(=O)[C@H]1Cc2ccccc2N1CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000852074132	GE	On-Demand	Anodyne	DRD4	19	41
CNC(=O)[C@H]1Cc2ccccc2N1CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000852074132	GE	On-Demand	Anodyne	MMP3	17	47
CNC(=O)[C@H]1Cc2ccccc2N1CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000852074132	GE	On-Demand	Anodyne	MMP8	25	47
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852074135	GD	On-Demand	Anodyne	SFRP1	104	38
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852074135	GD	On-Demand	Anodyne	WNT3	69	31
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1CCN(c2ccccc2)C1	ZINC000852074136	GD	On-Demand	Anodyne	SFRP1	104	38
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1CCN(c2ccccc2)C1	ZINC000852074136	GD	On-Demand	Anodyne	WNT3	69	31
O=C(NCC1SCCS1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852074137	DE	On-Demand	Anodyne	EPHX2	15	45
O=C(NCC1SCCS1)N[C@H]1CCN(c2ccccc2)C1	ZINC000852074138	DE	On-Demand	Anodyne	EPHX2	15	45
COc1cccc(SCCN2CCS(=O)(=NS(C)(=O)=O)CC2)c1	ZINC000852074166	GD	On-Demand	Anodyne	DRD4	41	31
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852074169	ED	On-Demand	Anodyne	SIRT3	53	37
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852074169	ED	On-Demand	Anodyne	SIRT2	56	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852074169	ED	On-Demand	Anodyne	SIRT1	54	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852074169	ED	On-Demand	Anodyne	GPR119	49	46
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852074170	ED	On-Demand	Anodyne	SIRT3	53	37
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852074170	ED	On-Demand	Anodyne	SIRT2	56	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852074170	ED	On-Demand	Anodyne	SIRT1	54	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852074170	ED	On-Demand	Anodyne	GPR119	49	46
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NCc1ccccn1	ZINC000852074175	DC	On-Demand	Anodyne	TPP2	49	36
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1	ZINC000852074177	EE	On-Demand	Anodyne	ACKR3	45	34
N#CCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852074197	FE	On-Demand	Mild	DRD4	17	44
N#CCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852074197	FE	On-Demand	Mild	SIGMAR1	15	48
COC(=O)N(C)CCNC(=O)NCCn1c(=O)oc2ccccc21	ZINC000852074198	EC	On-Demand	Anodyne	TSPO	16	46
N#CCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852074199	FE	On-Demand	Mild	DRD4	17	44
N#CCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852074199	FE	On-Demand	Mild	SIGMAR1	15	48
Cn1cc([C@@H](NCC(=O)Nc2cccnc2Cl)C2(CO)CCC2)cn1	ZINC000852074202	FD	On-Demand	Anodyne	G2YM83_BOTF4	65	35
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852074210	FE	On-Demand	Anodyne	GPR119	35	42
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852074210	FE	On-Demand	Anodyne	SFRP1	39	40
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852074212	FE	On-Demand	Anodyne	GPR119	35	42
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852074212	FE	On-Demand	Anodyne	SFRP1	39	40
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852074213	FG	On-Demand	Anodyne	LUCI_PHOPY	88	48
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852074215	FG	On-Demand	Anodyne	LUCI_PHOPY	88	48
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N[C@H]2CCNC2=O)C1	ZINC000852074222	EC	On-Demand	Anodyne	GPR119	30	42
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N[C@@H]2CCNC2=O)C1	ZINC000852074224	EC	On-Demand	Anodyne	GPR119	30	42
CNC(=O)[C@H]1Cc2ccccc2N1CCO[C@H](C)C#N	ZINC000852074225	CD	On-Demand	Mild	LGMN	41	32
CNC(=O)[C@H]1Cc2ccccc2N1CCO[C@H](C)C#N	ZINC000852074225	CD	On-Demand	Mild	CFTR	41	35
CNC(=O)[C@H]1Cc2ccccc2N1CCO[C@H](C)C#N	ZINC000852074225	CD	On-Demand	Mild	ADAM9	53	32
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N[C@H]2CCNC2=O)C1	ZINC000852074226	EC	On-Demand	Anodyne	GPR119	30	42
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N[C@@H]2CCNC2=O)C1	ZINC000852074227	EC	On-Demand	Anodyne	GPR119	30	42
CNC(=O)[C@H]1Cc2ccccc2N1CCO[C@@H](C)C#N	ZINC000852074232	CD	On-Demand	Mild	LGMN	41	32
CNC(=O)[C@H]1Cc2ccccc2N1CCO[C@@H](C)C#N	ZINC000852074232	CD	On-Demand	Mild	CFTR	41	35
CNC(=O)[C@H]1Cc2ccccc2N1CCO[C@@H](C)C#N	ZINC000852074232	CD	On-Demand	Mild	ADAM9	53	32
Cc1cc(F)ccc1C1CCN(CCOC(F)F)CC1	ZINC000852074238	CH	On-Demand	Anodyne	DRD2	23	44
Cc1cc(F)ccc1C1CCN(CCOC(F)F)CC1	ZINC000852074238	CH	On-Demand	Anodyne	SLC6A4	24	44
Cc1cc(F)ccc1C1CCN(CCOC(F)F)CC1	ZINC000852074238	CH	On-Demand	Anodyne	SLC6A3	43	43
CNC(=O)[C@H]1Cc2ccccc2N1CC=C(Cl)Cl	ZINC000852074247	CE	On-Demand	Anodyne	ADAM9	41	32
CNC(=O)[C@H]1Cc2ccccc2N1CC=C(Cl)Cl	ZINC000852074247	CE	On-Demand	Anodyne	TPP2	21	51
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852074255	FF	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852074257	FF	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852074259	FF	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852074261	FF	On-Demand	Anodyne	GPR119	32	42
CNC(=O)[C@H]1Cc2ccccc2N1C/C(Cl)=C/Cl	ZINC000852074265	CE	On-Demand	Anodyne	TPP2	48	38
CNC(=O)[C@H]1Cc2ccccc2N1C/C(Cl)=C\Cl	ZINC000852074267	CE	On-Demand	Anodyne	TPP2	48	38
CS(=O)(=O)N=S1(=O)CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852074276	DC	On-Demand	Anodyne	SLC18A3	34	45
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074277	FF	On-Demand	Anodyne	DRD4	21	46
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074277	FF	On-Demand	Anodyne	ACHE	28	43
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074277	FF	On-Demand	Anodyne	HTR4	49	39
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074277	FF	On-Demand	Anodyne	SIGMAR1	31	47
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074277	FF	On-Demand	Anodyne	CCR3	48	42
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074277	FF	On-Demand	Anodyne	EPHX2	23	47
O=C(NCc1ncccn1)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074277	FF	On-Demand	Anodyne	CACNA1I	67	39
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(OCC#N)cc1	ZINC000852074279	DE	On-Demand	Mild	ADAM9	57	34
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(N(C)C)cc1	ZINC000852074282	DE	On-Demand	Clean	ADAM9	44	32
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(Cl)ccc1OCC#N	ZINC000852074286	FF	On-Demand	Mild	PTGER1	45	38
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cn(CC(=O)OC)nn1	ZINC000852074295	EC	On-Demand	Anodyne	TPP2	44	32
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(CF)cc1	ZINC000852074299	CF	On-Demand	Anodyne	DRD4	24	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(CF)cc1	ZINC000852074299	CF	On-Demand	Anodyne	ADAM9	56	35
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(CF)cc1	ZINC000852074299	CF	On-Demand	Anodyne	TPP2	18	49
C[C@@H](NC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852074320	GH	On-Demand	Anodyne	GPR119	22	40
C[C@@H](NC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852074323	GH	On-Demand	Anodyne	GPR119	22	40
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2cnn[nH]2)C1	ZINC000852074324	DD	On-Demand	Anodyne	ADRA1D	15	46
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2cnn[nH]2)C1	ZINC000852074324	DD	On-Demand	Anodyne	ADRA1A	33	46
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2cnn[nH]2)C1	ZINC000852074324	DD	On-Demand	Anodyne	ADRA1B	21	46
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2cnn[nH]2)C1	ZINC000852074324	DD	On-Demand	Anodyne	SIGMAR1	15	41
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](O)c1ccccc1	ZINC000852074333	CD	On-Demand	Anodyne	ACE	29	44
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](O)c1ccccc1	ZINC000852074333	CD	On-Demand	Anodyne	TPP2	54	40
COC(=O)[C@@]1(c2ccccc2)CCN(CCO[C@H]2CC2(F)F)C1	ZINC000852074344	EE	On-Demand	Anodyne	ADRA1D	18	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCO[C@H]2CC2(F)F)C1	ZINC000852074344	EE	On-Demand	Anodyne	ADRA1A	35	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCO[C@H]2CC2(F)F)C1	ZINC000852074344	EE	On-Demand	Anodyne	ADRA1B	23	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCO[C@H]2CC2(F)F)C1	ZINC000852074344	EE	On-Demand	Anodyne	KCNA3	25	41
COC(=O)[C@@]1(c2ccccc2)CCN(CCO[C@@H]2CC2(F)F)C1	ZINC000852074346	EE	On-Demand	Anodyne	ADRA1D	18	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCO[C@@H]2CC2(F)F)C1	ZINC000852074346	EE	On-Demand	Anodyne	ADRA1A	35	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCO[C@@H]2CC2(F)F)C1	ZINC000852074346	EE	On-Demand	Anodyne	ADRA1B	23	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCO[C@@H]2CC2(F)F)C1	ZINC000852074346	EE	On-Demand	Anodyne	KCNA3	25	41
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cn(C)cn2)C1	ZINC000852074365	CD	On-Demand	Anodyne	ADRA1D	17	47
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cn(C)cn2)C1	ZINC000852074365	CD	On-Demand	Anodyne	ADRA1A	33	47
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cn(C)cn2)C1	ZINC000852074365	CD	On-Demand	Anodyne	ADRA1B	21	47
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2coc(S(N)(=O)=O)c2)C1	ZINC000852074382	FD	On-Demand	Anodyne	ADRA1A	27	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2coc(S(N)(=O)=O)c2)C1	ZINC000852074382	FD	On-Demand	Anodyne	ADRA1B	15	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(OC)no2)C1	ZINC000852074391	DD	On-Demand	Anodyne	ADRA1A	27	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(OC)no2)C1	ZINC000852074391	DD	On-Demand	Anodyne	ADRA1B	15	42
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852074395	FD	On-Demand	Anodyne	ADRA1A	31	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852074395	FD	On-Demand	Anodyne	ADRA1B	19	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852074398	FD	On-Demand	Anodyne	ADRA1A	31	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852074398	FD	On-Demand	Anodyne	ADRA1B	19	44
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C(=O)CN(C)C2=O)C1	ZINC000852074400	EC	On-Demand	Anodyne	ADRA1D	23	48
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C(=O)CN(C)C2=O)C1	ZINC000852074400	EC	On-Demand	Anodyne	ADRA1A	32	48
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C(=O)CN(C)C2=O)C1	ZINC000852074400	EC	On-Demand	Anodyne	ADRA1B	26	48
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852074406	DD	On-Demand	Anodyne	ADRA1D	23	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852074406	DD	On-Demand	Anodyne	ADRA1A	35	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852074406	DD	On-Demand	Anodyne	ADRA1B	29	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852074406	DD	On-Demand	Anodyne	SIGMAR1	18	48
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852074409	DD	On-Demand	Anodyne	ADRA1D	23	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852074409	DD	On-Demand	Anodyne	ADRA1A	35	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852074409	DD	On-Demand	Anodyne	ADRA1B	29	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852074409	DD	On-Demand	Anodyne	SIGMAR1	18	48
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1	ZINC000852074428	GG	On-Demand	Anodyne	ADRA1A	32	40
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1	ZINC000852074429	GG	On-Demand	Anodyne	ADRA1A	32	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852074450	GD	On-Demand	Reactive	GPR119	41	43
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852074452	GD	On-Demand	Reactive	GPR119	41	43
COc1ccc(N2CC[C@H](NC(=O)NCCOc3ccc(F)cc3F)C2)cc1	ZINC000852074476	GF	On-Demand	Clean	CCR3	28	44
COc1ccc(N2CC[C@H](NC(=O)NCCOc3ccc(F)cc3F)C2)cc1	ZINC000852074476	GF	On-Demand	Clean	MCHR1	16	42
CNC(=O)[C@H]1Cc2ccccc2N1CCC(OC)OC	ZINC000852074494	CD	On-Demand	Anodyne	ACE	27	40
CNC(=O)[C@H]1Cc2ccccc2N1CCC(OC)OC	ZINC000852074494	CD	On-Demand	Anodyne	ADAM9	60	34
CNC(=O)[C@H]1Cc2ccccc2N1CCC(OC)OC	ZINC000852074494	CD	On-Demand	Anodyne	TPP2	47	39
C#CCCN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074498	BD	On-Demand	Mild	ACE	18	40
C#CCCN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074498	BD	On-Demand	Mild	ADAM9	53	33
C#CCCN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074498	BD	On-Demand	Mild	TPP2	19	40
C#CCCN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074500	BD	On-Demand	Mild	ACE	18	40
C#CCCN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074500	BD	On-Demand	Mild	ADAM9	53	33
C#CCCN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074500	BD	On-Demand	Mild	TPP2	19	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H]3COC[C@H]3C2)C1	ZINC000852074502	FE	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@H]3COC[C@H]3C2)C1	ZINC000852074504	FE	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@H]3COC[C@@H]3C2)C1	ZINC000852074506	FE	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H]3COC[C@@H]3C2)C1	ZINC000852074508	FE	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCCc2ccco2)C1	ZINC000852074512	FG	On-Demand	Anodyne	GPR119	30	43
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCCc2ccco2)C1	ZINC000852074514	FG	On-Demand	Anodyne	GPR119	30	43
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852074525	GG	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852074525	GG	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852074529	GG	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852074529	GG	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852074532	GG	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852074532	GG	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852074535	GG	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852074535	GG	On-Demand	Anodyne	GPR119	23	40
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H](OC)C2CCC2)C1	ZINC000852074551	DF	On-Demand	Anodyne	ADRA1A	28	47
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H](OC)C2CCC2)C1	ZINC000852074551	DF	On-Demand	Anodyne	ADRA1B	18	47
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H](OC)C2CCC2)C1	ZINC000852074551	DF	On-Demand	Anodyne	KCNA3	31	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1nc(C)c2ccccc2n1	ZINC000852074555	EF	On-Demand	Anodyne	TPP2	32	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H](OC)C2CCC2)C1	ZINC000852074557	DF	On-Demand	Anodyne	ADRA1A	28	47
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H](OC)C2CCC2)C1	ZINC000852074557	DF	On-Demand	Anodyne	ADRA1B	18	47
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H](OC)C2CCC2)C1	ZINC000852074557	DF	On-Demand	Anodyne	KCNA3	31	41
CNC(=O)[C@H]1Cc2ccccc2N1CC1CN(C(=O)OC(C)(C)C)C1	ZINC000852074565	EE	On-Demand	Anodyne	ADAM9	52	32
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852074573	GF	On-Demand	Anodyne	KCNQ2	70	41
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H](O)c2ccccn2)C1	ZINC000852074583	ED	On-Demand	Anodyne	ADRA1A	24	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H](O)c2ccccn2)C1	ZINC000852074583	ED	On-Demand	Anodyne	ADRA1B	16	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852074589	ED	On-Demand	Anodyne	ADRA1A	24	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852074589	ED	On-Demand	Anodyne	ADRA1B	16	44
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852074608	GG	On-Demand	Anodyne	GPR119	28	40
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852074612	GG	On-Demand	Anodyne	GPR119	28	40
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCC1	ZINC000852074613	CF	On-Demand	Anodyne	EPHX2	22	47
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852074614	GG	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852074614	GG	On-Demand	Mild	GPR119	40	47
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCC1	ZINC000852074616	CF	On-Demand	Anodyne	EPHX2	22	47
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852074617	GG	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852074617	GG	On-Demand	Mild	GPR119	40	47
CS(=O)(=O)N=S1(=O)CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852074618	EC	On-Demand	Mild	KCNJ1	48	57
CCN1CC[C@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1=O	ZINC000852074619	DF	On-Demand	Anodyne	BIRC8	54	34
O=C(N[C@H]1CCN(c2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852074620	CE	On-Demand	Anodyne	EPHX2	19	50
CNC(=O)[C@H]1Cc2ccccc2N1CC1OCCO1	ZINC000852074621	CC	On-Demand	Anodyne	ADAM9	40	32
CNC(=O)[C@H]1Cc2ccccc2N1CC1OCCO1	ZINC000852074621	CC	On-Demand	Anodyne	TPP2	21	51
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(c2ccccc2)C1	ZINC000852074623	CE	On-Demand	Anodyne	EPHX2	19	50
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852074627	CE	On-Demand	Anodyne	EPHX2	19	50
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852074629	CE	On-Demand	Anodyne	EPHX2	19	50
COC(=O)N(C)CCNC(=O)NCCOc1ccc(F)c(F)c1	ZINC000852074645	ED	On-Demand	Anodyne	MTNR1A	25	40
COC(=O)N(C)CCNC(=O)NCCOc1ccc(F)c(F)c1	ZINC000852074645	ED	On-Demand	Anodyne	MTNR1B	16	40
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(OC(C)=O)cc1	ZINC000852074653	DE	On-Demand	Anodyne	DRD4	23	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(OC(C)=O)cc1	ZINC000852074653	DE	On-Demand	Anodyne	ADAM9	61	35
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)NC1CCC1	ZINC000852074657	CD	On-Demand	Anodyne	EPHX2	15	41
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)NC1CCC1	ZINC000852074660	CD	On-Demand	Anodyne	EPHX2	15	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccsc1	ZINC000852074665	CE	On-Demand	Anodyne	ADAM9	41	33
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccccc1C	ZINC000852074667	DF	On-Demand	Anodyne	ADAM9	58	33
CNC(=O)[C@H]1Cc2ccccc2N1CCO[Si](C)(C)C(C)(C)C	ZINC000852074672	EG	On-Demand	Reactive	ADAM9	57	32
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cnc3ccccc3n2)C1	ZINC000852074674	EF	On-Demand	Anodyne	ADRA1A	23	43
CNC(=O)[C@H]1Cc2ccccc2N1CC[S@@](C)=O	ZINC000852074677	CC	On-Demand	Anodyne	ADAM9	54	33
CNC(=O)[C@H]1Cc2ccccc2N1CC[S@@](C)=O	ZINC000852074677	CC	On-Demand	Anodyne	TPP2	18	50
COC(=O)[C@@]1(c2ccccc2)CCN(CCCC(=O)NCC(C)C)C1	ZINC000852074681	EE	On-Demand	Anodyne	ADRA1D	23	52
COC(=O)[C@@]1(c2ccccc2)CCN(CCCC(=O)NCC(C)C)C1	ZINC000852074681	EE	On-Demand	Anodyne	ADRA1A	44	52
COC(=O)[C@@]1(c2ccccc2)CCN(CCCC(=O)NCC(C)C)C1	ZINC000852074681	EE	On-Demand	Anodyne	ADRA1B	30	52
CNC(=O)[C@H]1Cc2ccccc2N1CC[S@](C)=O	ZINC000852074682	CC	On-Demand	Anodyne	ADAM9	54	33
CNC(=O)[C@H]1Cc2ccccc2N1CC[S@](C)=O	ZINC000852074682	CC	On-Demand	Anodyne	TPP2	18	50
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	ADRA1A	27	44
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	ADRA1B	16	48
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	SIGMAR1	38	41
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	MMP13	34	46
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	ADAM17	20	46
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	MMP2	16	41
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	MMP14	17	41
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	MMP9	24	46
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	ADAMTS4	15	41
CNS(=O)(=O)c1ccc(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074708	GD	On-Demand	Anodyne	CCR8	18	42
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	ADRA1A	27	44
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	ADRA1B	16	48
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	SIGMAR1	38	41
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	MMP13	34	46
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	ADAM17	20	46
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	MMP2	16	41
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	MMP14	17	41
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	MMP9	24	46
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	ADAMTS4	15	41
CNS(=O)(=O)c1ccc(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)cc1	ZINC000852074709	GD	On-Demand	Anodyne	CCR8	18	42
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2nc(C)c(C(C)=O)[nH]2)C1	ZINC000852074710	FE	On-Demand	Anodyne	ADRA1A	33	43
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2nc(C)c(C(C)=O)[nH]2)C1	ZINC000852074710	FE	On-Demand	Anodyne	ADRA1B	19	43
COC(=O)[C@@]1(c2ccccc2)CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852074719	FE	On-Demand	Anodyne	ADRA1A	21	42
CC[C@@H](CC(F)F)CN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852074728	EG	On-Demand	Anodyne	ADRA1A	25	45
CC[C@@H](CC(F)F)CN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852074728	EG	On-Demand	Anodyne	ADRA1B	17	45
CC[C@@H](CC(F)F)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852074730	EG	On-Demand	Anodyne	ADRA1A	25	45
CC[C@@H](CC(F)F)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852074730	EG	On-Demand	Anodyne	ADRA1B	17	45
C=CCCNC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852074745	DF	On-Demand	Mild	GPR119	25	40
C=CCCNC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852074746	DF	On-Demand	Mild	GPR119	25	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCC[C@H](CC#N)C2)C1	ZINC000852074751	FF	On-Demand	Mild	GPR119	28	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC000852074752	FF	On-Demand	Mild	GPR119	28	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCC[C@H](CC#N)C2)C1	ZINC000852074753	FF	On-Demand	Mild	GPR119	28	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC000852074754	FF	On-Demand	Mild	GPR119	28	40
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](O)c1ccc(Br)cc1	ZINC000852074756	GF	On-Demand	Anodyne	ADAM9	44	31
CNC(=O)[C@H]1Cc2ccccc2N1CCCNC(=O)C(F)(F)F	ZINC000852074758	ED	On-Demand	Anodyne	ADAM9	51	34
CNC(=O)[C@H]1Cc2ccccc2N1CCCNC(=O)C(F)(F)F	ZINC000852074758	ED	On-Demand	Anodyne	TPP2	20	44
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](O)c1ccc(Br)cc1	ZINC000852074761	GF	On-Demand	Anodyne	ADAM9	44	31
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1C=CCC1	ZINC000852074773	EH	On-Demand	Anodyne	DRD4	21	44
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1C=CCC1	ZINC000852074773	EH	On-Demand	Anodyne	ACHE	25	43
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1C=CCC1	ZINC000852074773	EH	On-Demand	Anodyne	HTR4	42	37
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1C=CCC1	ZINC000852074773	EH	On-Demand	Anodyne	SIGMAR1	30	48
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1C=CCC1	ZINC000852074773	EH	On-Demand	Anodyne	CCR3	40	42
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1C=CCC1	ZINC000852074773	EH	On-Demand	Anodyne	EPHX2	17	44
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1C=CCC1	ZINC000852074773	EH	On-Demand	Anodyne	CACNA1I	66	39
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C=CCC1	ZINC000852074775	EH	On-Demand	Anodyne	DRD4	21	44
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C=CCC1	ZINC000852074775	EH	On-Demand	Anodyne	ACHE	25	43
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C=CCC1	ZINC000852074775	EH	On-Demand	Anodyne	HTR4	42	37
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C=CCC1	ZINC000852074775	EH	On-Demand	Anodyne	SIGMAR1	30	48
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C=CCC1	ZINC000852074775	EH	On-Demand	Anodyne	CCR3	40	42
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C=CCC1	ZINC000852074775	EH	On-Demand	Anodyne	EPHX2	17	44
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1C=CCC1	ZINC000852074775	EH	On-Demand	Anodyne	CACNA1I	66	39
C=CC[C@H]1CCCN(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852074782	FH	On-Demand	Mild	GPR119	24	40
C=CC[C@@H]1CCCN(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852074784	FH	On-Demand	Mild	GPR119	24	40
C=CC[C@H]1CCCN(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852074785	FH	On-Demand	Mild	GPR119	24	40
C=CC[C@@H]1CCCN(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852074787	FH	On-Demand	Mild	GPR119	24	40
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ncc(C(C)C)o1	ZINC000852074789	CE	On-Demand	Anodyne	TPP2	46	35
COc1ccc(N2CC[C@H](NC(=O)NCCOc3ccc(F)c(F)c3)C2)cc1	ZINC000852074790	GF	On-Demand	Clean	HRH2	22	40
COc1ccc(N2CC[C@H](NC(=O)NCCOc3ccc(F)c(F)c3)C2)cc1	ZINC000852074790	GF	On-Demand	Clean	MCHR1	19	43
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852074795	GH	On-Demand	Anodyne	SIGMAR1	22	44
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852074795	GH	On-Demand	Anodyne	CACNA1I	54	35
CNC(=O)[C@H]1Cc2ccccc2N1CCCCCCNC(=O)OC(C)(C)C	ZINC000852074797	GG	On-Demand	Anodyne	ACE	15	44
CNC(=O)[C@H]1Cc2ccccc2N1CCCCCCNC(=O)OC(C)(C)C	ZINC000852074797	GG	On-Demand	Anodyne	DRD2	23	51
CNC(=O)[C@H]1Cc2ccccc2N1CCCCCCNC(=O)OC(C)(C)C	ZINC000852074797	GG	On-Demand	Anodyne	ADAM9	56	36
CNC(=O)[C@H]1Cc2ccccc2N1CCCCCCNC(=O)OC(C)(C)C	ZINC000852074797	GG	On-Demand	Anodyne	TPP2	19	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCc3nccnc3C2)C1	ZINC000852074799	GE	On-Demand	Anodyne	GPR119	42	42
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852074800	GH	On-Demand	Anodyne	SIGMAR1	22	44
O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852074800	GH	On-Demand	Anodyne	CACNA1I	54	35
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCc3nccnc3C2)C1	ZINC000852074801	GE	On-Demand	Anodyne	GPR119	42	42
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074802	GG	On-Demand	Anodyne	DRD2	16	44
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074802	GG	On-Demand	Anodyne	DRD4	28	44
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074802	GG	On-Demand	Anodyne	ACHE	31	43
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074802	GG	On-Demand	Anodyne	HTR4	48	41
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074802	GG	On-Demand	Anodyne	SIGMAR1	31	42
COCCN(CCF)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1	ZINC000852074802	GG	On-Demand	Anodyne	CACNA1I	67	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccccc1CC(=O)OC	ZINC000852074810	EE	On-Demand	Anodyne	ADAM9	46	32
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccccc1CC(=O)OC	ZINC000852074810	EE	On-Demand	Anodyne	TPP2	23	47
CNC(=O)[C@H]1Cc2ccccc2N1CCCI	ZINC000852074814	ED	On-Demand	Reactive	ADAM9	63	38
CNC(=O)[C@H]1Cc2ccccc2N1CCCI	ZINC000852074814	ED	On-Demand	Reactive	TPP2	24	51
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccnc(N(C)C)c1	ZINC000852074822	DD	On-Demand	Anodyne	TPP2	16	43
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074836	EE	On-Demand	Anodyne	ACE	26	40
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074836	EE	On-Demand	Anodyne	CFTR	45	35
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074836	EE	On-Demand	Anodyne	TPP2	61	42
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074839	EE	On-Demand	Anodyne	ACE	26	40
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074839	EE	On-Demand	Anodyne	CFTR	45	35
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074839	EE	On-Demand	Anodyne	TPP2	61	42
CNC(=O)[C@H]1Cc2ccccc2N1CCN1CCOC1=O	ZINC000852074849	CC	On-Demand	Anodyne	ADAM9	49	32
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(C)nc1Cl	ZINC000852074854	DF	On-Demand	Anodyne	TPP2	56	37
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCCCC3=O)C2)cc1	ZINC000852074855	FD	On-Demand	Clean	DRD4	41	32
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCCCC3=O)C2)cc1	ZINC000852074855	FD	On-Demand	Clean	MTNR1A	18	41
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCCCC3=O)C2)cc1	ZINC000852074855	FD	On-Demand	Clean	MTNR1B	15	41
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCCCC3=O)C2)cc1	ZINC000852074855	FD	On-Demand	Clean	TYRO3	21	49
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(Cl)nc(Cl)c1	ZINC000852074870	EG	On-Demand	Anodyne	DRD4	23	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(Cl)nc(Cl)c1	ZINC000852074870	EG	On-Demand	Anodyne	ADAM9	53	32
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(Cl)nc(Cl)c1	ZINC000852074870	EG	On-Demand	Anodyne	TPP2	56	37
N#Cc1ccc(O[C@H]2CCN(Cc3cccc(F)n3)C2)nc1	ZINC000852074882	CE	On-Demand	Mild	SCN5A	47	33
N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(F)n3)C2)nc1	ZINC000852074884	CE	On-Demand	Mild	SCN5A	47	33
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cccc(F)n1	ZINC000852074889	CD	On-Demand	Anodyne	TPP2	53	35
CS(=O)(=O)N=S1(=O)CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852074905	FD	On-Demand	Anodyne	EBP	22	44
NC(=O)[C@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074908	CD	On-Demand	Anodyne	CHRM2	33	42
NC(=O)[C@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074908	CD	On-Demand	Anodyne	CHRM1	33	40
NC(=O)[C@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074908	CD	On-Demand	Anodyne	CHRM4	24	40
NC(=O)[C@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074908	CD	On-Demand	Anodyne	CHRM3	53	42
NC(=O)[C@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074908	CD	On-Demand	Anodyne	CYP2J2	52	37
CS(=O)(=O)N=S1(=O)CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852074910	FD	On-Demand	Anodyne	EBP	22	44
NC(=O)[C@@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074911	CD	On-Demand	Anodyne	CHRM2	33	42
NC(=O)[C@@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074911	CD	On-Demand	Anodyne	CHRM1	33	40
NC(=O)[C@@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074911	CD	On-Demand	Anodyne	CHRM4	24	40
NC(=O)[C@@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074911	CD	On-Demand	Anodyne	CHRM3	53	42
NC(=O)[C@@](O)(CN1CCC(C2CC2)CC1)c1ccccc1	ZINC000852074911	CD	On-Demand	Anodyne	CYP2J2	52	37
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NOCc1ccccc1	ZINC000852074931	ED	On-Demand	Anodyne	ACE	30	41
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NOCc1ccccc1	ZINC000852074931	ED	On-Demand	Anodyne	PREP	15	43
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NOCc1ccccc1	ZINC000852074931	ED	On-Demand	Anodyne	ADAM9	57	34
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NOCc1ccccc1	ZINC000852074931	ED	On-Demand	Anodyne	TPP2	42	47
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NOCc1ccccc1	ZINC000852074931	ED	On-Demand	Anodyne	SLC12A5	28	40
COC(=O)[C@@]1(c2ccccc2)CCN(CC2(O)CCSCC2)C1	ZINC000852074935	EE	On-Demand	Anodyne	ADRA1A	30	45
COC(=O)[C@@]1(c2ccccc2)CCN(CC2(O)CCSCC2)C1	ZINC000852074935	EE	On-Demand	Anodyne	ADRA1B	18	45
CNC(=O)[C@H]1Cc2ccccc2N1CCCNC(=O)OC(C)(C)C	ZINC000852074936	EE	On-Demand	Anodyne	ACE	16	42
CNC(=O)[C@H]1Cc2ccccc2N1CCCNC(=O)OC(C)(C)C	ZINC000852074936	EE	On-Demand	Anodyne	DRD2	18	50
CNC(=O)[C@H]1Cc2ccccc2N1CCCNC(=O)OC(C)(C)C	ZINC000852074936	EE	On-Demand	Anodyne	ADAM9	57	36
CNC(=O)[C@H]1Cc2ccccc2N1CCCNC(=O)OC(C)(C)C	ZINC000852074936	EE	On-Demand	Anodyne	TPP2	20	44
CS(=O)(=O)N=S1(=O)CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852074938	CB	On-Demand	Anodyne	SLC18A3	32	41
CNC(=O)[C@H]1Cc2ccccc2N1CCCN(C)C(=O)OC(C)(C)C	ZINC000852074949	EE	On-Demand	Anodyne	ADAM9	62	37
C#CCCCN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852074952	BD	On-Demand	Mild	ADAM9	60	37
C#CCCCN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852074954	BD	On-Demand	Mild	ADAM9	60	37
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](O)c1ccc(F)cc1	ZINC000852074960	DE	On-Demand	Anodyne	TPP2	53	38
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](O)c1ccc(F)cc1	ZINC000852074965	DE	On-Demand	Anodyne	TPP2	53	38
CNC(=O)[C@H]1Cc2ccccc2N1[C@H](C)C(=O)NNC(=O)CC(C)C	ZINC000852074983	EC	On-Demand	Reactive	ACE	19	42
CNC(=O)[C@H]1Cc2ccccc2N1[C@@H](C)C(=O)NNC(=O)CC(C)C	ZINC000852074985	EC	On-Demand	Reactive	ACE	19	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCC2)O1	ZINC000852074998	ED	On-Demand	Reactive	DRD4	28	47
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCC2)O1	ZINC000852074998	ED	On-Demand	Reactive	ACHE	15	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCC2)O1	ZINC000852074998	ED	On-Demand	Reactive	SIGMAR1	29	47
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCC2)O1	ZINC000852074998	ED	On-Demand	Reactive	EPHX2	18	41
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cnon2)C1	ZINC000852075004	CD	On-Demand	Anodyne	ADRA1A	28	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cnon2)C1	ZINC000852075004	CD	On-Demand	Anodyne	ADRA1B	17	43
C=C(CBr)CN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852075005	DE	On-Demand	Reactive	TPP2	57	38
C=C(CBr)CN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852075007	DE	On-Demand	Reactive	TPP2	57	38
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@]2(O)CCCOC2)C1	ZINC000852075016	DD	On-Demand	Anodyne	ADRA1A	24	42
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@]2(O)CCCOC2)C1	ZINC000852075018	DD	On-Demand	Anodyne	ADRA1A	24	42
N#Cc1ccc(O[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C2)nc1	ZINC000852075024	FC	On-Demand	Mild	CHRM3	15	43
N#Cc1ccc(O[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C2)nc1	ZINC000852075024	FC	On-Demand	Mild	MEN1	43	39
N#Cc1ccc(O[C@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C2)nc1	ZINC000852075025	FC	On-Demand	Mild	CHRM3	15	43
N#Cc1ccc(O[C@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C2)nc1	ZINC000852075025	FC	On-Demand	Mild	MEN1	43	39
N#Cc1ccc(O[C@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C2)nc1	ZINC000852075026	FC	On-Demand	Mild	CHRM3	15	43
N#Cc1ccc(O[C@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C2)nc1	ZINC000852075026	FC	On-Demand	Mild	MEN1	43	39
N#Cc1ccc(O[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C2)nc1	ZINC000852075027	FC	On-Demand	Mild	CHRM3	15	43
N#Cc1ccc(O[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C2)nc1	ZINC000852075027	FC	On-Demand	Mild	MEN1	43	39
C#CCOCCN[C@@H](C(N)=O)[C@@H](C)c1ccccc1	ZINC000852075032	CC	On-Demand	Mild	HLA-DRB1	42	33
C#CCOCCN[C@H](C(N)=O)[C@@H](C)c1ccccc1	ZINC000852075033	CC	On-Demand	Mild	HLA-DRB1	42	33
C#CCOCCN[C@H](C(N)=O)[C@H](C)c1ccccc1	ZINC000852075034	CC	On-Demand	Mild	HLA-DRB1	42	33
C#CCOCCN[C@@H](C(N)=O)[C@H](C)c1ccccc1	ZINC000852075035	CC	On-Demand	Mild	HLA-DRB1	42	33
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(C3CC3)no2)C1	ZINC000852075036	EF	On-Demand	Anodyne	ADRA1A	27	40
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(C3CC3)no2)C1	ZINC000852075036	EF	On-Demand	Anodyne	ADRA1B	16	40
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(C3CC3)no2)C1	ZINC000852075036	EF	On-Demand	Anodyne	CPT1A	57	35
CN(CC1=CCCOC1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075045	FF	On-Demand	Anodyne	GPR119	23	44
CN(CC1=CCCOC1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075046	FF	On-Demand	Anodyne	GPR119	23	44
CNC(=O)[C@H]1Cc2ccccc2N1C[Si](C)(C)C	ZINC000852075047	CE	On-Demand	Anodyne	ACE	18	40
CNC(=O)[C@H]1Cc2ccccc2N1C[Si](C)(C)C	ZINC000852075047	CE	On-Demand	Anodyne	ADAM9	53	33
CNC(=O)[C@H]1Cc2ccccc2N1C[Si](C)(C)C	ZINC000852075047	CE	On-Demand	Anodyne	TPP2	59	41
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)OCc1ccccc1	ZINC000852075066	DD	On-Demand	Anodyne	ACE	37	45
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)OCc1ccccc1	ZINC000852075066	DD	On-Demand	Anodyne	PREP	19	42
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)OCc1ccccc1	ZINC000852075066	DD	On-Demand	Anodyne	ADAM9	59	35
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)OCc1ccccc1	ZINC000852075066	DD	On-Demand	Anodyne	TPP2	56	39
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)OCc1ccccc1	ZINC000852075066	DD	On-Demand	Anodyne	SLC12A5	60	43
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2ccccc2)C1	ZINC000852075073	GH	On-Demand	Anodyne	ADRB3	25	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852075074	GH	On-Demand	Anodyne	ADRB3	25	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2ccccc2)C1	ZINC000852075075	GH	On-Demand	Anodyne	ADRB3	25	42
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2ccccc2)C1	ZINC000852075076	GH	On-Demand	Anodyne	ADRB3	25	42
CNC(=O)[C@H]1Cc2ccccc2N1Cc1csc(Cl)n1	ZINC000852075116	DE	On-Demand	Anodyne	TPP2	45	34
COC(=O)[C@@]1(c2ccccc2)CCN(CC(F)(F)Br)C1	ZINC000852075134	EF	On-Demand	Anodyne	ADRA1A	31	47
COC(=O)[C@@]1(c2ccccc2)CCN(CC(F)(F)Br)C1	ZINC000852075134	EF	On-Demand	Anodyne	ADRA1B	20	47
COC(=O)[C@@]1(c2ccccc2)CCN(CC(F)(F)Br)C1	ZINC000852075134	EF	On-Demand	Anodyne	KCNA3	18	43
COC(=O)[C@@]1(c2ccccc2)CCN(CCOCc2ccccc2)C1	ZINC000852075135	EG	On-Demand	Anodyne	ADRA1D	20	49
COC(=O)[C@@]1(c2ccccc2)CCN(CCOCc2ccccc2)C1	ZINC000852075135	EG	On-Demand	Anodyne	ADRA1A	41	49
COC(=O)[C@@]1(c2ccccc2)CCN(CCOCc2ccccc2)C1	ZINC000852075135	EG	On-Demand	Anodyne	ADRA1B	27	49
COC(=O)[C@@]1(c2ccccc2)CCN(CCOCc2ccccc2)C1	ZINC000852075135	EG	On-Demand	Anodyne	TACR1	20	40
COC(=O)[C@@]1(c2ccccc2)CCN(CCOCc2ccccc2)C1	ZINC000852075135	EG	On-Demand	Anodyne	SIGMAR1	35	43
COC(=O)[C@@]1(c2ccccc2)CCN(CCOCc2ccccc2)C1	ZINC000852075135	EG	On-Demand	Anodyne	KCNA3	15	51
COC(=O)[C@@]1(c2ccccc2)CCN(CCOCc2ccccc2)C1	ZINC000852075135	EG	On-Demand	Anodyne	SLC12A5	75	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ncsc2Br)C1	ZINC000852075139	GG	On-Demand	Anodyne	ADRA1A	21	41
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ncsc2Br)C1	ZINC000852075139	GG	On-Demand	Anodyne	MGEA5	24	42
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NNC(=O)C1CC1	ZINC000852075146	DB	On-Demand	Reactive	TPP2	25	47
N#CCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852075152	FE	On-Demand	Mild	EPHX2	16	42
N#CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852075153	FE	On-Demand	Mild	EPHX2	16	42
CCn1nc(C)c(CN2c3ccccc3C[C@H]2C(=O)NC)n1	ZINC000852075154	CD	On-Demand	Anodyne	TPP2	53	36
CCn1nc(C)c(CN2c3ccccc3C[C@@H]2C(=O)NC)n1	ZINC000852075156	CD	On-Demand	Anodyne	TPP2	53	36
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075157	FF	On-Demand	Anodyne	ADAM9	44	31
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075157	FF	On-Demand	Anodyne	GPR119	35	44
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075158	FF	On-Demand	Anodyne	ADAM9	44	31
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075158	FF	On-Demand	Anodyne	GPR119	35	44
CNC(=O)[C@H]1Cc2ccccc2N1Cc1nccc(C)n1	ZINC000852075173	CD	On-Demand	Anodyne	TPP2	43	45
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1	ZINC000852075177	CF	On-Demand	Anodyne	ADRA1D	22	45
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1	ZINC000852075177	CF	On-Demand	Anodyne	ADRA1A	38	45
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1	ZINC000852075177	CF	On-Demand	Anodyne	ADRA1B	28	45
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1	ZINC000852075177	CF	On-Demand	Anodyne	SIGMAR1	16	49
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)C1	ZINC000852075177	CF	On-Demand	Anodyne	KCNA3	24	42
CNC(=O)[C@H]1Cc2ccccc2N1CCCON1C(=O)c2ccccc2C1=O	ZINC000852075186	GD	On-Demand	Anodyne	ADAM9	60	35
COC(=O)N(C)CCNC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1	ZINC000852075190	FF	On-Demand	Anodyne	ROCK1	21	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000852075193	FF	On-Demand	Anodyne	ROCK1	21	42
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NC1CCC1)C2	ZINC000852075199	DE	On-Demand	Anodyne	EPHX2	15	41
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(OC)ns2)C1	ZINC000852075201	EE	On-Demand	Anodyne	ADRA1A	25	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(OC)ns2)C1	ZINC000852075201	EE	On-Demand	Anodyne	ADRA1B	15	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(OC)ns2)C1	ZINC000852075201	EE	On-Demand	Anodyne	SIGMAR1	17	41
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(OC)ns2)C1	ZINC000852075201	EE	On-Demand	Anodyne	MGEA5	24	42
CNC(=O)[C@H]1Cc2ccccc2N1CC(F)(F)Br	ZINC000852075209	DE	On-Demand	Anodyne	ADAM9	41	33
CNC(=O)[C@H]1Cc2ccccc2N1CC(F)(F)Br	ZINC000852075209	DE	On-Demand	Anodyne	TPP2	23	51
Cn1ncc(C2CC2)c1CNC(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075217	GF	On-Demand	Anodyne	GPR119	35	41
Cn1ncc(C2CC2)c1CNC(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075218	GF	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852075224	FG	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852075225	FG	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852075226	FG	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852075227	FG	On-Demand	Anodyne	GPR119	32	44
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)N(C)OC	ZINC000852075230	CC	On-Demand	Anodyne	ADAM9	55	34
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)N(C)OC	ZINC000852075230	CC	On-Demand	Anodyne	TPP2	32	47
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCO[C@](C)(C(F)F)C2)C1	ZINC000852075232	GF	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCO[C@@](C)(C(F)F)C2)C1	ZINC000852075233	GF	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCO[C@@](C)(C(F)F)C2)C1	ZINC000852075235	GF	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCO[C@](C)(C(F)F)C2)C1	ZINC000852075237	GF	On-Demand	Anodyne	GPR119	17	40
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](C)O	ZINC000852075239	BC	On-Demand	Anodyne	ACE	30	45
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](C)O	ZINC000852075239	BC	On-Demand	Anodyne	ADAM9	52	33
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](C)O	ZINC000852075239	BC	On-Demand	Anodyne	TPP2	59	44
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](C)O	ZINC000852075244	BC	On-Demand	Anodyne	ACE	30	45
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](C)O	ZINC000852075244	BC	On-Demand	Anodyne	ADAM9	52	33
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](C)O	ZINC000852075244	BC	On-Demand	Anodyne	TPP2	59	44
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(C)nc(Cl)c1	ZINC000852075253	DF	On-Demand	Anodyne	TPP2	32	44
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NC3CCC3)CC2)C1	ZINC000852075268	FH	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NC3CCC3)CC2)C1	ZINC000852075269	FH	On-Demand	Anodyne	GPR119	26	44
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC1CCC1	ZINC000852075272	DF	On-Demand	Anodyne	EPHX2	26	44
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NC1CCC1	ZINC000852075273	DF	On-Demand	Anodyne	EPHX2	26	44
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852075277	DE	On-Demand	Anodyne	ADRA1A	20	40
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852075277	DE	On-Demand	Anodyne	OPRL1	17	45
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852075277	DE	On-Demand	Anodyne	SLC18A3	58	63
CN(C[C@@H](O)c1ccccn1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000852075279	CC	On-Demand	Anodyne	RORC	21	41
Cn1cnc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075288	FF	On-Demand	Anodyne	CTSK	21	40
Cn1cnc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075288	FF	On-Demand	Anodyne	CTSL	25	40
Cn1cnc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075289	FF	On-Demand	Anodyne	CTSK	21	40
Cn1cnc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075289	FF	On-Demand	Anodyne	CTSL	25	40
Cn1cnc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075290	FF	On-Demand	Anodyne	CTSK	21	40
Cn1cnc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075290	FF	On-Demand	Anodyne	CTSL	25	40
Cn1cnc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075291	FF	On-Demand	Anodyne	CTSK	21	40
Cn1cnc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075291	FF	On-Demand	Anodyne	CTSL	25	40
Cc1cc(F)ccc1C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852075302	FF	On-Demand	Anodyne	DRD4	15	41
Cc1cc(F)ccc1C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852075302	FF	On-Demand	Anodyne	HRH1	20	40
Cc1cc(F)ccc1C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852075302	FF	On-Demand	Anodyne	TACR1	28	42
Cc1cc(F)ccc1C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852075302	FF	On-Demand	Anodyne	CCR5	50	33
Cc1cc(F)ccc1C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852075304	FF	On-Demand	Anodyne	DRD4	15	41
Cc1cc(F)ccc1C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852075304	FF	On-Demand	Anodyne	HRH1	20	40
Cc1cc(F)ccc1C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852075304	FF	On-Demand	Anodyne	TACR1	28	42
Cc1cc(F)ccc1C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852075304	FF	On-Demand	Anodyne	CCR5	50	33
Cc1cc(F)ccc1C1CCN(Cc2cnon2)CC1	ZINC000852075309	CF	On-Demand	Anodyne	DRD2	15	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1nc(Cl)ccc1Cl	ZINC000852075312	EG	On-Demand	Anodyne	TPP2	57	38
CN(C[C@@H](O)c1ccccn1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000852075315	CC	On-Demand	Anodyne	RORC	21	41
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852075317	GD	On-Demand	Anodyne	CFTR	47	34
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852075330	GG	On-Demand	Reactive	CACNA1I	49	32
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852075330	GG	On-Demand	Reactive	GPR119	50	39
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852075334	GG	On-Demand	Reactive	CACNA1I	49	32
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852075334	GG	On-Demand	Reactive	GPR119	50	39
O=C1C[C@H](CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)CN1	ZINC000852075336	DE	On-Demand	Anodyne	MAN1B1	27	54
O=C1C[C@@H](CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)CN1	ZINC000852075338	DE	On-Demand	Anodyne	MAN1B1	27	54
O=C(N[C@@H]1C[C@H]1C1CCN(C[C@]2(O)CCCOC2)CC1)OCc1ccccc1	ZINC000852075342	GF	On-Demand	Anodyne	SLC12A5	54	37
O=C(N[C@@H]1C[C@H]1C1CCN(C[C@@]2(O)CCCOC2)CC1)OCc1ccccc1	ZINC000852075345	GF	On-Demand	Anodyne	SLC12A5	54	37
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	CHRM2	16	44
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	DRD2	15	43
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	DRD4	34	44
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	HRH2	26	40
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	CHRM3	20	44
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	SIGMAR1	39	43
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	CTSK	18	45
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	CTSL	24	45
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	TGM2	25	40
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	MCHR1	21	41
Nc1cccc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075358	GH	On-Demand	Anodyne	F13A1	29	40
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	CHRM2	16	44
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	DRD2	15	43
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	DRD4	34	44
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	HRH2	26	40
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	CHRM3	20	44
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	SIGMAR1	39	43
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	CTSK	18	45
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	CTSL	24	45
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	TGM2	25	40
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	MCHR1	21	41
Nc1cccc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075362	GH	On-Demand	Anodyne	F13A1	29	40
CNC(=O)[C@H]1Cc2ccccc2N1CCOC(F)F	ZINC000852075364	CD	On-Demand	Anodyne	ADAM9	59	34
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	CHRM2	16	44
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	DRD2	15	43
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	DRD4	34	44
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	HRH2	26	40
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	CHRM3	20	44
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	SIGMAR1	39	43
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	CTSK	18	45
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	CTSL	24	45
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	TGM2	25	40
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	MCHR1	21	41
Nc1cccc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075365	GH	On-Demand	Anodyne	F13A1	29	40
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	CHRM2	16	44
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	DRD2	15	43
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	DRD4	34	44
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	HRH2	26	40
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	CHRM3	20	44
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	SIGMAR1	39	43
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	CTSK	18	45
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	CTSL	24	45
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	TGM2	25	40
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	MCHR1	21	41
Nc1cccc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c1	ZINC000852075368	GH	On-Demand	Anodyne	F13A1	29	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2C[C@H]3CC[C@@H](C3)C2)C1	ZINC000852075369	FG	On-Demand	Anodyne	GPR119	26	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2C[C@H]3CC[C@@H](C3)C2)C1	ZINC000852075372	FG	On-Demand	Anodyne	GPR119	26	41
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)OCC(C)C	ZINC000852075382	CD	On-Demand	Anodyne	TPP2	61	52
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCC[C@]2(C)CC2(F)F)C1	ZINC000852075385	GG	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCC[C@@]2(C)CC2(F)F)C1	ZINC000852075388	GG	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCC[C@@]2(C)CC2(F)F)C1	ZINC000852075392	GG	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCC[C@]2(C)CC2(F)F)C1	ZINC000852075394	GG	On-Demand	Anodyne	GPR119	23	40
CNC(=O)[C@H]1Cc2ccccc2N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852075442	GE	On-Demand	Bother	WDR5	36	41
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](C)CBr	ZINC000852075447	DE	On-Demand	Reactive	ACE	21	42
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](C)CBr	ZINC000852075447	DE	On-Demand	Reactive	TPP2	40	39
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](C)CBr	ZINC000852075453	DE	On-Demand	Reactive	ACE	21	42
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](C)CBr	ZINC000852075453	DE	On-Demand	Reactive	TPP2	40	39
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cccc(Br)n1	ZINC000852075461	EF	On-Demand	Anodyne	ADAM9	52	31
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cccc(Br)n1	ZINC000852075461	EF	On-Demand	Anodyne	TPP2	53	35
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCN([C@@H]3CCOC3)CC2)C1	ZINC000852075472	GD	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCN([C@@H]3CCOC3)CC2)C1	ZINC000852075473	GD	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCN([C@H]3CCOC3)CC2)C1	ZINC000852075477	GD	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCN([C@H]3CCOC3)CC2)C1	ZINC000852075480	GD	On-Demand	Anodyne	GPR119	20	40
COC(=O)c1ccc2nc(CN3CC[C@](C(=O)OC)(c4ccccc4)C3)[nH]c2c1	ZINC000852075502	GF	On-Demand	Anodyne	ADRA1A	30	40
COC(=O)c1ccc2nc(CN3CC[C@](C(=O)OC)(c4ccccc4)C3)[nH]c2c1	ZINC000852075502	GF	On-Demand	Anodyne	ADRA1B	18	40
COC(=O)c1ccc2nc(CN3CC[C@@](C(=O)OC)(c4ccccc4)C3)[nH]c2c1	ZINC000852075505	GF	On-Demand	Anodyne	ADRA1A	30	40
COC(=O)c1ccc2nc(CN3CC[C@@](C(=O)OC)(c4ccccc4)C3)[nH]c2c1	ZINC000852075505	GF	On-Demand	Anodyne	ADRA1B	18	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@H]3C[C@H]3C2)C1	ZINC000852075524	EF	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H]3C[C@@H]3C2)C1	ZINC000852075526	EF	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@H]3C[C@@H]3C2)C1	ZINC000852075528	EF	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H]3C[C@H]3C2)C1	ZINC000852075529	EF	On-Demand	Anodyne	GPR119	32	44
CN(CC1=CCSC1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075539	FF	On-Demand	Anodyne	GPR119	27	41
CN(CC1=CCSC1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852075540	FF	On-Demand	Anodyne	GPR119	27	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1Cl	ZINC000852075546	EG	On-Demand	Anodyne	TPP2	58	35
COCc1csc(CNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1	ZINC000852075549	GG	On-Demand	Anodyne	GPR119	32	40
COCc1csc(CNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1	ZINC000852075551	GG	On-Demand	Anodyne	GPR119	32	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000852075556	EB	On-Demand	Anodyne	AMY2	44	31
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000852075560	EB	On-Demand	Anodyne	AMY2	44	31
COc1ccc(N2CC[C@H](NC(=O)NC3CCC3)C2)cc1	ZINC000852075567	CE	On-Demand	Clean	SIGMAR1	17	45
COc1ccc(N2CC[C@H](NC(=O)NC3CCC3)C2)cc1	ZINC000852075567	CE	On-Demand	Clean	HRH4	33	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCC3)C2)cc1	ZINC000852075567	CE	On-Demand	Clean	MTNR1A	21	51
COc1ccc(N2CC[C@H](NC(=O)NC3CCC3)C2)cc1	ZINC000852075567	CE	On-Demand	Clean	MTNR1B	23	51
COc1ccc(N2CC[C@H](NC(=O)NC3CCC3)C2)cc1	ZINC000852075567	CE	On-Demand	Clean	EPHX2	55	42
COc1ccc(N2CC[C@H](NC(=O)NC3CCC3)C2)cc1	ZINC000852075567	CE	On-Demand	Clean	MCHR1	19	44
NC(=O)[C@](O)(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)c1ccccc1	ZINC000852075574	CB	On-Demand	Anodyne	CHRM2	16	40
NC(=O)[C@](O)(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)c1ccccc1	ZINC000852075574	CB	On-Demand	Anodyne	CHRM3	26	40
NC(=O)[C@@](O)(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)c1ccccc1	ZINC000852075575	CB	On-Demand	Anodyne	CHRM2	16	40
NC(=O)[C@@](O)(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)c1ccccc1	ZINC000852075575	CB	On-Demand	Anodyne	CHRM3	26	40
Cc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cs1	ZINC000852075620	FF	On-Demand	Clean	VHL	51	33
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C#N)c2ccccc2)C1	ZINC000852075621	DG	On-Demand	Mild	ADRA1A	21	43
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C#N)c2ccccc2)C1	ZINC000852075621	DG	On-Demand	Mild	OPRL1	22	40
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C#N)c2ccccc2)C1	ZINC000852075621	DG	On-Demand	Mild	PTAFR	36	43
COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C#N)c2ccccc2)C1	ZINC000852075623	DG	On-Demand	Mild	ADRA1A	21	43
COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C#N)c2ccccc2)C1	ZINC000852075623	DG	On-Demand	Mild	OPRL1	22	40
COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C#N)c2ccccc2)C1	ZINC000852075623	DG	On-Demand	Mild	PTAFR	36	43
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H](O)CN(C)C(C)C)C1	ZINC000852075627	ED	On-Demand	Anodyne	ADRA1A	22	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H](O)CN(C)C(C)C)C1	ZINC000852075627	ED	On-Demand	Anodyne	ADRA1B	15	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H](O)CN(C)C(C)C)C1	ZINC000852075631	ED	On-Demand	Anodyne	ADRA1A	22	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H](O)CN(C)C(C)C)C1	ZINC000852075631	ED	On-Demand	Anodyne	ADRA1B	15	44
Cc1nc([C@@H](C)NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cs1	ZINC000852075647	GI	On-Demand	Anodyne	ROCK2	18	44
COC(=O)[C@@]1(c2ccccc2)CCN(CCn2cnc(Br)n2)C1	ZINC000852075650	GD	On-Demand	Anodyne	ADRA1D	15	44
COC(=O)[C@@]1(c2ccccc2)CCN(CCn2cnc(Br)n2)C1	ZINC000852075650	GD	On-Demand	Anodyne	ADRA1A	33	44
COC(=O)[C@@]1(c2ccccc2)CCN(CCn2cnc(Br)n2)C1	ZINC000852075650	GD	On-Demand	Anodyne	ADRA1B	20	44
O=C(N[C@@H]1C[C@H]1C1CCN(C[C@@H](O)c2ccccn2)CC1)OCc1ccccc1	ZINC000852075655	GG	On-Demand	Anodyne	CTSB	15	40
O=C(N[C@@H]1C[C@H]1C1CCN(C[C@@H](O)c2ccccn2)CC1)OCc1ccccc1	ZINC000852075655	GG	On-Demand	Anodyne	CTSK	19	40
O=C(N[C@@H]1C[C@H]1C1CCN(C[C@H](O)c2ccccn2)CC1)OCc1ccccc1	ZINC000852075657	GG	On-Demand	Anodyne	CTSB	15	40
O=C(N[C@@H]1C[C@H]1C1CCN(C[C@H](O)c2ccccn2)CC1)OCc1ccccc1	ZINC000852075657	GG	On-Demand	Anodyne	CTSK	19	40
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@H](C)O[C@H](C)C2)C1	ZINC000852075660	ED	On-Demand	Anodyne	ADRA1D	18	46
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@H](C)O[C@H](C)C2)C1	ZINC000852075660	ED	On-Demand	Anodyne	ADRA1A	36	46
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@H](C)O[C@H](C)C2)C1	ZINC000852075660	ED	On-Demand	Anodyne	ADRA1B	25	46
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@H](C)O[C@H](C)C2)C1	ZINC000852075660	ED	On-Demand	Anodyne	OPRM1	16	41
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@H](C)O[C@H](C)C2)C1	ZINC000852075660	ED	On-Demand	Anodyne	SIGMAR1	20	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@H](C)O[C@H](C)C2)C1	ZINC000852075660	ED	On-Demand	Anodyne	KCNA3	18	45
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@H]2Sc3ccccc3NC2=O)C1	ZINC000852075669	GG	On-Demand	Anodyne	ADRA1A	30	42
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@H]2Sc3ccccc3NC2=O)C1	ZINC000852075669	GG	On-Demand	Anodyne	ADRA1B	18	42
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@@H]2Sc3ccccc3NC2=O)C1	ZINC000852075676	GG	On-Demand	Anodyne	ADRA1A	30	42
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@@H]2Sc3ccccc3NC2=O)C1	ZINC000852075676	GG	On-Demand	Anodyne	ADRA1B	18	42
CNC(=O)[C@H]1Cc2ccccc2N1CCOCCNC(=O)OC(C)(C)C	ZINC000852075694	FD	On-Demand	Anodyne	ADAM9	48	31
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NNC(=O)C(C)(C)C	ZINC000852075700	EC	On-Demand	Reactive	TPP2	20	47
CNC(=O)[C@H]1Cc2ccccc2N1Cc1nc(C)cc(O)n1	ZINC000852075744	CD	On-Demand	Anodyne	OPRD1	42	35
O=C(N[C@H]1C[C@H]1C1CCN(Cc2cccc(F)n2)CC1)OCc1ccccc1	ZINC000852075749	GH	On-Demand	Anodyne	CTSL	18	40
O=C(N[C@H]1C[C@@H]1C1CCN(Cc2cccc(F)n2)CC1)OCc1ccccc1	ZINC000852075751	GH	On-Demand	Anodyne	CTSL	18	40
O=C(N[C@@H]1C[C@H]1C1CCN(Cc2cccc(F)n2)CC1)OCc1ccccc1	ZINC000852075753	GH	On-Demand	Anodyne	CTSL	18	40
COC(=O)[C@@]1(c2ccccc2)CCN(CC=C(Cl)Cl)C1	ZINC000852075821	DG	On-Demand	Anodyne	ADRA1D	15	48
COC(=O)[C@@]1(c2ccccc2)CCN(CC=C(Cl)Cl)C1	ZINC000852075821	DG	On-Demand	Anodyne	ADRA1A	31	48
COC(=O)[C@@]1(c2ccccc2)CCN(CC=C(Cl)Cl)C1	ZINC000852075821	DG	On-Demand	Anodyne	ADRA1B	20	48
COC(=O)[C@@]1(c2ccccc2)CCN(CC=C(Cl)Cl)C1	ZINC000852075821	DG	On-Demand	Anodyne	SIGMAR1	19	46
COC(=O)[C@@]1(c2ccccc2)CCN(CC=C(Cl)Cl)C1	ZINC000852075821	DG	On-Demand	Anodyne	KCNA3	29	44
C[C@@H](NC(=O)NCCC1SCCS1)c1nc(-c2ccccc2)cs1	ZINC000852075834	GI	On-Demand	Anodyne	ROCK1	19	43
C[C@H](NC(=O)NCCC1SCCS1)c1nc(-c2ccccc2)cs1	ZINC000852075835	GI	On-Demand	Anodyne	ROCK1	19	43
C#CCOCCN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852075836	CD	On-Demand	Mild	ADRA1D	20	48
C#CCOCCN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852075836	CD	On-Demand	Mild	ADRA1A	38	48
C#CCOCCN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852075836	CD	On-Demand	Mild	ADRA1B	27	48
C#CCOCCN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852075837	CD	On-Demand	Mild	ADRA1D	20	48
C#CCOCCN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852075837	CD	On-Demand	Mild	ADRA1A	38	48
C#CCOCCN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852075837	CD	On-Demand	Mild	ADRA1B	27	48
C#CCOCCN1c2ccccc2C[C@H]1C(=O)NC	ZINC000852075843	CC	On-Demand	Mild	ADAM9	57	33
C#CCOCCN1c2ccccc2C[C@@H]1C(=O)NC	ZINC000852075844	CC	On-Demand	Mild	ADAM9	57	33
CNC(=O)[C@H]1Cc2ccccc2N1CCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852075850	GG	On-Demand	Anodyne	GPR119	47	49
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852075855	EE	On-Demand	Anodyne	ACE	19	40
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852075855	EE	On-Demand	Anodyne	FPR1	44	33
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](C)NC(=O)OC(C)(C)C	ZINC000852075856	EE	On-Demand	Anodyne	ACE	19	40
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H](C)NC(=O)OC(C)(C)C	ZINC000852075856	EE	On-Demand	Anodyne	FPR1	44	33
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCC2=CCCC2)C1	ZINC000852075866	EG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCC2=CCCC2)C1	ZINC000852075867	EG	On-Demand	Anodyne	GPR119	29	42
CNC(=O)[C@H]1Cc2ccccc2N1C[C@H]1CC(C(=O)OC)=C(C)O1	ZINC000852075870	ED	On-Demand	Anodyne	ADAM9	51	31
CNC(=O)[C@H]1Cc2ccccc2N1C[C@@H]1CC(C(=O)OC)=C(C)O1	ZINC000852075871	ED	On-Demand	Anodyne	ADAM9	51	31
COCc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1F	ZINC000852075897	GG	On-Demand	Clean	CCR3	24	45
COCc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1F	ZINC000852075897	GG	On-Demand	Clean	MCHR1	19	48
COCc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1F	ZINC000852075898	GG	On-Demand	Clean	CCR3	24	45
COCc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1F	ZINC000852075898	GG	On-Demand	Clean	MCHR1	19	48
CNS(=O)(=O)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)cc1	ZINC000852075911	DC	On-Demand	Anodyne	MMP13	26	41
CNS(=O)(=O)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)cc1	ZINC000852075911	DC	On-Demand	Anodyne	MMP3	17	41
CNS(=O)(=O)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)cc1	ZINC000852075911	DC	On-Demand	Anodyne	MMP9	21	41
CNS(=O)(=O)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)cc1	ZINC000852075911	DC	On-Demand	Anodyne	MMP1	21	41
C#CCOCCN1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075919	FF	On-Demand	Mild	CTSB	15	43
C#CCOCCN1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075919	FF	On-Demand	Mild	CTSK	21	43
C#CCOCCN1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075919	FF	On-Demand	Mild	CTSL	25	43
C#CCOCCN1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075921	FF	On-Demand	Mild	CTSB	15	43
C#CCOCCN1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075921	FF	On-Demand	Mild	CTSK	21	43
C#CCOCCN1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075921	FF	On-Demand	Mild	CTSL	25	43
C#CCOCCN1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075922	FF	On-Demand	Mild	CTSB	15	43
C#CCOCCN1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075922	FF	On-Demand	Mild	CTSK	21	43
C#CCOCCN1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852075922	FF	On-Demand	Mild	CTSL	25	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(F)n2)C1	ZINC000852075959	DF	On-Demand	Anodyne	ADRA1A	27	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(F)n2)C1	ZINC000852075959	DF	On-Demand	Anodyne	ADRA1B	17	43
CCc1nc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cs1	ZINC000852075960	GI	On-Demand	Anodyne	ROCK2	19	44
COC(=O)[C@@]1(c2ccccc2)CCN(CC2=NS(=O)(=O)c3ccccc32)C1	ZINC000852075961	GD	On-Demand	Anodyne	ADRA1A	22	42
C[C@@H](NC(=O)NCC1SCCS1)c1nc(-c2ccccc2)cs1	ZINC000852075982	FH	On-Demand	Anodyne	ROCK1	19	44
C[C@H](NC(=O)NCC1SCCS1)c1nc(-c2ccccc2)cs1	ZINC000852075984	FH	On-Demand	Anodyne	ROCK1	19	44
Cc1nc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075991	GH	On-Demand	Anodyne	CTSK	19	41
Cc1nc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075991	GH	On-Demand	Anodyne	CTSL	18	41
Cc1nc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075991	GH	On-Demand	Anodyne	PDE8B	63	40
Cc1nc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075993	GH	On-Demand	Anodyne	CTSK	19	41
Cc1nc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075993	GH	On-Demand	Anodyne	CTSL	18	41
Cc1nc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075993	GH	On-Demand	Anodyne	PDE8B	63	40
Cc1nc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075994	GH	On-Demand	Anodyne	CTSK	19	41
Cc1nc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075994	GH	On-Demand	Anodyne	CTSL	18	41
Cc1nc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075994	GH	On-Demand	Anodyne	PDE8B	63	40
Cc1nc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075995	GH	On-Demand	Anodyne	CTSK	19	41
Cc1nc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075995	GH	On-Demand	Anodyne	CTSL	18	41
Cc1nc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C)o1	ZINC000852075995	GH	On-Demand	Anodyne	PDE8B	63	40
COC(=O)[C@@]1(c2ccccc2)CCN(CCC(OC)OC)C1	ZINC000852076007	DD	On-Demand	Anodyne	ADRA1D	15	51
COC(=O)[C@@]1(c2ccccc2)CCN(CCC(OC)OC)C1	ZINC000852076007	DD	On-Demand	Anodyne	ADRA1A	32	51
COC(=O)[C@@]1(c2ccccc2)CCN(CCC(OC)OC)C1	ZINC000852076007	DD	On-Demand	Anodyne	ADRA1B	20	51
COC(=O)[C@@]1(c2ccccc2)CCN(CCC(OC)OC)C1	ZINC000852076007	DD	On-Demand	Anodyne	OPRL1	17	40
COC(=O)[C@@]1(c2ccccc2)CCN(CCC(OC)OC)C1	ZINC000852076007	DD	On-Demand	Anodyne	TACR2	41	38
COC(=O)[C@@]1(c2ccccc2)CCN(CCC(OC)OC)C1	ZINC000852076007	DD	On-Demand	Anodyne	KCNA3	18	53
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC1CCC1	ZINC000852076010	ED	On-Demand	Clean	EPHX2	19	49
CCOC(=O)c1c(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)n[nH]c1C	ZINC000852076012	FE	On-Demand	Anodyne	ADRA1A	30	42
CCOC(=O)c1c(CN2CC[C@@](C(=O)OC)(c3ccccc3)C2)n[nH]c1C	ZINC000852076012	FE	On-Demand	Anodyne	ADRA1B	18	41
CCOC(=O)c1c(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)n[nH]c1C	ZINC000852076013	FE	On-Demand	Anodyne	ADRA1A	30	42
CCOC(=O)c1c(CN2CC[C@](C(=O)OC)(c3ccccc3)C2)n[nH]c1C	ZINC000852076013	FE	On-Demand	Anodyne	ADRA1B	18	41
CN1C[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852076020	CB	On-Demand	Anodyne	CYP2J2	52	38
CN1C[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)[C@H]2C1	ZINC000852076021	CB	On-Demand	Anodyne	CYP2J2	52	38
CN1C[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852076022	CB	On-Demand	Anodyne	CYP2J2	52	38
CN1C[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)[C@H]2C1	ZINC000852076023	CB	On-Demand	Anodyne	CYP2J2	52	38
CN(CCCC(=O)N1CCC(NC(=O)NC2CCC2)CC1)C(=O)OC(C)(C)C	ZINC000852076044	GE	On-Demand	Anodyne	EPHX2	25	47
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ncc(C)s1	ZINC000852076046	CE	On-Demand	Anodyne	TPP2	27	45
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1C(F)(F)F	ZINC000852076061	FG	On-Demand	Anodyne	TPP2	53	34
Cc1cc(F)ccc1C1CCN(CCn2cnc(Br)n2)CC1	ZINC000852076069	FG	On-Demand	Anodyne	DRD2	18	41
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2COC(C)(C)O2)C1	ZINC000852076070	DD	On-Demand	Anodyne	ADRA1D	34	43
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2COC(C)(C)O2)C1	ZINC000852076070	DD	On-Demand	Anodyne	ADRA1A	46	43
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2COC(C)(C)O2)C1	ZINC000852076070	DD	On-Demand	Anodyne	ADRA1B	41	43
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2COC(C)(C)O2)C1	ZINC000852076070	DD	On-Demand	Anodyne	SIGMAR1	28	46
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2COC(C)(C)O2)C1	ZINC000852076071	DD	On-Demand	Anodyne	ADRA1D	34	43
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2COC(C)(C)O2)C1	ZINC000852076071	DD	On-Demand	Anodyne	ADRA1A	46	43
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2COC(C)(C)O2)C1	ZINC000852076071	DD	On-Demand	Anodyne	ADRA1B	41	43
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2COC(C)(C)O2)C1	ZINC000852076071	DD	On-Demand	Anodyne	SIGMAR1	28	46
CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000852076077	GC	On-Demand	Anodyne	GPR119	30	40
CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000852076078	GC	On-Demand	Anodyne	GPR119	30	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852076085	GE	On-Demand	Anodyne	ADRA1A	24	44
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852076085	GE	On-Demand	Anodyne	ADRA1B	15	44
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852076085	GE	On-Demand	Anodyne	KCNA3	24	45
CCOP(=O)(OCC)[C@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852076087	GE	On-Demand	Anodyne	ADRA1A	24	44
CCOP(=O)(OCC)[C@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852076087	GE	On-Demand	Anodyne	ADRA1B	15	44
CCOP(=O)(OCC)[C@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852076087	GE	On-Demand	Anodyne	KCNA3	24	45
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852076088	GE	On-Demand	Anodyne	ADRA1A	24	44
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852076088	GE	On-Demand	Anodyne	ADRA1B	15	44
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852076088	GE	On-Demand	Anodyne	KCNA3	24	45
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852076090	GE	On-Demand	Anodyne	ADRA1A	24	44
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852076090	GE	On-Demand	Anodyne	ADRA1B	15	44
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852076090	GE	On-Demand	Anodyne	KCNA3	24	45
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852076106	GD	On-Demand	Anodyne	GPR119	31	46
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852076108	GD	On-Demand	Anodyne	GPR119	31	46
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852076109	GD	On-Demand	Anodyne	GPR119	31	46
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852076110	GD	On-Demand	Anodyne	GPR119	31	46
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cn(Cc2ccccc2)nn1	ZINC000852076121	EE	On-Demand	Anodyne	TPP2	16	43
C#CCOCCN1CCC(c2ccc(F)cc2C)CC1	ZINC000852076124	CF	On-Demand	Mild	DRD2	21	42
C#CCOCCN1CCC(c2ccc(F)cc2C)CC1	ZINC000852076124	CF	On-Demand	Mild	ADRA1B	15	44
CNC(=O)[C@H]1Cc2ccccc2N1CCCCC1(C)OCCO1	ZINC000852076127	DE	On-Demand	Anodyne	ADAM9	50	34
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCC2SCCS2)C1	ZINC000852076128	GG	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCC2SCCS2)C1	ZINC000852076129	GG	On-Demand	Anodyne	GPR119	24	40
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cncc(C(F)(F)F)c1	ZINC000852076147	EF	On-Demand	Anodyne	ADAM9	41	31
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCOCCF)C1	ZINC000852076158	ED	On-Demand	Anodyne	GPR119	23	42
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCOCCF)C1	ZINC000852076159	ED	On-Demand	Anodyne	GPR119	23	42
O[C@@H](c1ccccc1)[C@H](NCC1CC=CC1)c1ccccc1	ZINC000852076162	CI	On-Demand	Anodyne	MAN1B1	20	56
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCc2ccoc2)C1	ZINC000852076181	FF	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCc2ccoc2)C1	ZINC000852076182	FF	On-Demand	Anodyne	GPR119	39	43
CCN1CC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076255	GF	On-Demand	Anodyne	CTSK	24	43
CCN1CC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076255	GF	On-Demand	Anodyne	CTSL	31	43
CCN1CC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076255	GF	On-Demand	Anodyne	PREP	15	40
CCN1CC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076255	GF	On-Demand	Anodyne	CAPN2	42	33
CCN1CC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076255	GF	On-Demand	Anodyne	NAAA	40	35
CCN1CC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076255	GF	On-Demand	Anodyne	SLC12A5	51	32
CCN1CC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076256	GF	On-Demand	Anodyne	CTSK	24	43
CCN1CC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076256	GF	On-Demand	Anodyne	CTSL	31	43
CCN1CC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076256	GF	On-Demand	Anodyne	PREP	15	40
CCN1CC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076256	GF	On-Demand	Anodyne	CAPN2	42	33
CCN1CC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076256	GF	On-Demand	Anodyne	NAAA	40	35
CCN1CC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076256	GF	On-Demand	Anodyne	SLC12A5	51	32
CCN1CC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076257	GF	On-Demand	Anodyne	CTSK	24	43
CCN1CC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076257	GF	On-Demand	Anodyne	CTSL	31	43
CCN1CC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076257	GF	On-Demand	Anodyne	PREP	15	40
CCN1CC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076257	GF	On-Demand	Anodyne	CAPN2	42	33
CCN1CC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076257	GF	On-Demand	Anodyne	NAAA	40	35
CCN1CC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076257	GF	On-Demand	Anodyne	SLC12A5	51	32
CCN1CC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076258	GF	On-Demand	Anodyne	CTSK	24	43
CCN1CC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076258	GF	On-Demand	Anodyne	CTSL	31	43
CCN1CC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076258	GF	On-Demand	Anodyne	PREP	15	40
CCN1CC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076258	GF	On-Demand	Anodyne	CAPN2	42	33
CCN1CC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076258	GF	On-Demand	Anodyne	NAAA	40	35
CCN1CC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852076258	GF	On-Demand	Anodyne	SLC12A5	51	32
CCc1nc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1	ZINC000852076270	FF	On-Demand	Clean	NPBWR1	43	31
CCc1nc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cs1	ZINC000852076271	FF	On-Demand	Clean	NPBWR1	43	31
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(C)nc(C)n2)C1	ZINC000852076295	EE	On-Demand	Anodyne	ADRA1A	31	45
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(C)nc(C)n2)C1	ZINC000852076295	EE	On-Demand	Anodyne	ADRA1B	18	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852076311	CE	On-Demand	Anodyne	ADRA1D	17	49
COC(=O)[C@@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852076311	CE	On-Demand	Anodyne	ADRA1A	33	49
COC(=O)[C@@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852076311	CE	On-Demand	Anodyne	ADRA1B	22	49
COC(=O)[C@@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852076311	CE	On-Demand	Anodyne	SLC6A3	19	44
COC(=O)[C@@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852076311	CE	On-Demand	Anodyne	SIGMAR1	15	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2onc(C)c2[N+](=O)[O-])C1	ZINC000852076314	EE	On-Demand	Bother	ADRA1D	15	41
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2onc(C)c2[N+](=O)[O-])C1	ZINC000852076314	EE	On-Demand	Bother	ADRA1A	33	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2onc(C)c2[N+](=O)[O-])C1	ZINC000852076314	EE	On-Demand	Bother	ADRA1B	21	44
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@@H](C)C[C@@H](C)C2)C1	ZINC000852076327	EF	On-Demand	Anodyne	ADRA1D	17	47
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@@H](C)C[C@@H](C)C2)C1	ZINC000852076327	EF	On-Demand	Anodyne	ADRA1A	36	47
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@@H](C)C[C@@H](C)C2)C1	ZINC000852076327	EF	On-Demand	Anodyne	ADRA1B	23	47
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@@H](C)C[C@@H](C)C2)C1	ZINC000852076327	EF	On-Demand	Anodyne	SIGMAR1	18	46
COC(=O)[C@@]1(c2ccccc2)CCN(CCN2C[C@@H](C)C[C@@H](C)C2)C1	ZINC000852076327	EF	On-Demand	Anodyne	KCNA3	21	46
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852076341	FF	On-Demand	Anodyne	ADRA1A	23	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852076341	FF	On-Demand	Anodyne	MLYCD	31	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2nnc(C(F)(F)F)s2)C1	ZINC000852076341	FF	On-Demand	Anodyne	MGEA5	23	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CCC1	ZINC000852076356	DD	On-Demand	Clean	EPHX2	35	55
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NC3CCC3)C2)CC1	ZINC000852076357	FH	On-Demand	Anodyne	EPHX2	18	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NC3CCC3)C2)CC1	ZINC000852076357	FH	On-Demand	Anodyne	GPR119	40	50
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NC3CCC3)C2)CC1	ZINC000852076358	FH	On-Demand	Anodyne	EPHX2	18	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NC3CCC3)C2)CC1	ZINC000852076358	FH	On-Demand	Anodyne	GPR119	40	50
COC(=O)[C@@]1(c2ccccc2)CCN(CC(=O)Nc2cnccn2)C1	ZINC000852076370	ED	On-Demand	Anodyne	ADRA1A	23	43
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H]2CCC[C@H]2O)C1	ZINC000852076374	CD	On-Demand	Anodyne	ADRA1A	20	40
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H]2CCC[C@H]2O)C1	ZINC000852076374	CD	On-Demand	Anodyne	SLC18A3	52	60
CNC(=O)[C@H]1Cc2ccccc2N1CCOC(=O)Cc1ccccc1	ZINC000852076389	ED	On-Demand	Anodyne	ACE	26	40
CNC(=O)[C@H]1Cc2ccccc2N1CCOC(=O)Cc1ccccc1	ZINC000852076389	ED	On-Demand	Anodyne	LTA4H	15	40
CNC(=O)[C@H]1Cc2ccccc2N1CCOC(=O)Cc1ccccc1	ZINC000852076389	ED	On-Demand	Anodyne	ADAM9	59	35
CNC(=O)[C@H]1Cc2ccccc2N1CCOC(=O)Cc1ccccc1	ZINC000852076389	ED	On-Demand	Anodyne	TPP2	18	48
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2nc(C(N)=O)cs2)C1	ZINC000852076391	GD	On-Demand	Anodyne	SIRT3	54	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2nc(C(N)=O)cs2)C1	ZINC000852076391	GD	On-Demand	Anodyne	SIRT2	57	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2nc(C(N)=O)cs2)C1	ZINC000852076391	GD	On-Demand	Anodyne	SIRT1	55	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2nc(C(N)=O)cs2)C1	ZINC000852076392	GD	On-Demand	Anodyne	SIRT3	54	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2nc(C(N)=O)cs2)C1	ZINC000852076392	GD	On-Demand	Anodyne	SIRT2	57	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCc2nc(C(N)=O)cs2)C1	ZINC000852076392	GD	On-Demand	Anodyne	SIRT1	55	41
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)cc1	ZINC000852076410	FD	On-Demand	Mild	DRD4	22	43
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)cc1	ZINC000852076410	FD	On-Demand	Mild	SIGMAR1	20	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)cc1	ZINC000852076410	FD	On-Demand	Mild	EPHX2	24	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)cc1	ZINC000852076410	FD	On-Demand	Mild	PDK1	40	33
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)cc1	ZINC000852076410	FD	On-Demand	Mild	MCHR1	21	43
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCC2(C#N)CCCCC2)C1	ZINC000852076421	GG	On-Demand	Mild	GPR119	26	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCC2(C#N)CCCCC2)C1	ZINC000852076422	GG	On-Demand	Mild	GPR119	26	40
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	HTR1A	119	63
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	DRD2	100	59
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	DRD1	25	58
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	DRD4	64	48
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	ADRA1D	52	48
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	HTR2A	97	59
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	HTR2C	50	58
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	SLC6A4	25	54
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	ADRA1A	67	48
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	ADRA1B	44	48
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	DRD3	116	58
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	HRP1_PLAFA	92	43
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	HTR7	126	57
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	SIGMAR1	15	50
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	NPY1R	15	41
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	CCR1	23	40
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	HTR6	19	57
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	HNMT	53	38
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852076429	GE	On-Demand	Anodyne	PLD2	28	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852076433	GH	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852076433	GH	On-Demand	Anodyne	SFRP1	21	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852076434	GH	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852076434	GH	On-Demand	Anodyne	SFRP1	21	40
Cc1cc(F)ccc1C1CCN(Cc2cccc(F)n2)CC1	ZINC000852076451	DI	On-Demand	Anodyne	DRD2	16	41
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@@H]1CC1(Cl)Cl	ZINC000852076456	DF	On-Demand	Anodyne	ADAM9	41	32
CNC(=O)[C@H]1Cc2ccccc2N1CC[C@H]1CC1(Cl)Cl	ZINC000852076457	DF	On-Demand	Anodyne	ADAM9	41	32
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852076471	FH	On-Demand	Mild	GPR119	27	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852076472	FH	On-Demand	Mild	GPR119	27	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCO[C@@H]2CC2(F)F)C1	ZINC000852076484	GE	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCO[C@H]2CC2(F)F)C1	ZINC000852076485	GE	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCO[C@@H]2CC2(F)F)C1	ZINC000852076486	GE	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCO[C@H]2CC2(F)F)C1	ZINC000852076487	GE	On-Demand	Anodyne	GPR119	23	40
O=C(N[C@H]1C[C@@H]1C1CCN(Cc2cnon2)CC1)OCc1ccccc1	ZINC000852076503	FF	On-Demand	Anodyne	CTSL	19	40
O=C(N[C@H]1C[C@H]1C1CCN(Cc2cnon2)CC1)OCc1ccccc1	ZINC000852076505	FF	On-Demand	Anodyne	CTSL	19	40
O=C(N[C@@H]1C[C@H]1C1CCN(Cc2cnon2)CC1)OCc1ccccc1	ZINC000852076506	FF	On-Demand	Anodyne	CTSL	19	40
CCN1CC[C@@H](N2CC[C@](C(=O)OC)(c3ccccc3)C2)C1=O	ZINC000852076591	DD	On-Demand	Anodyne	ADRA1A	22	41
CCN1CC[C@H](N2CC[C@](C(=O)OC)(c3ccccc3)C2)C1=O	ZINC000852076593	DD	On-Demand	Anodyne	ADRA1A	22	41
COCC(C)(C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852076594	CC	On-Demand	Anodyne	AMY2	56	35
CCN1CC[C@@H](N2CC[C@@](C(=O)OC)(c3ccccc3)C2)C1=O	ZINC000852076595	DD	On-Demand	Anodyne	ADRA1A	22	41
COCC(C)(C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852076596	CC	On-Demand	Anodyne	AMY2	56	35
CCN1CC[C@H](N2CC[C@@](C(=O)OC)(c3ccccc3)C2)C1=O	ZINC000852076598	DD	On-Demand	Anodyne	ADRA1A	22	41
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(C3CC3)CC2)C1	ZINC000852076601	DF	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC(C3CC3)CC2)C1	ZINC000852076603	DF	On-Demand	Anodyne	GPR119	20	40
O=C(NC1CCC1)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852076646	GF	On-Demand	Anodyne	CCR5	54	36
O=C(NCc1ccc(N2CCCNC2=O)cc1)NC1CCC1	ZINC000852076687	DD	On-Demand	Anodyne	EPHX2	15	50
Cc1cncc(CCNC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000852076714	GE	On-Demand	Anodyne	GPR119	37	41
Cc1cncc(CCNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000852076715	GE	On-Demand	Anodyne	GPR119	37	41
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cnsn1	ZINC000852076718	CD	On-Demand	Anodyne	ADAM9	44	31
CNC(=O)[C@H]1Cc2ccccc2N1Cc1cnsn1	ZINC000852076718	CD	On-Demand	Anodyne	TPP2	54	35
CNC(=O)[C@H]1Cc2ccccc2N1CC(=O)NNC(=O)C(C)C	ZINC000852076722	DB	On-Demand	Reactive	TPP2	54	38
CNC(=O)[C@H]1Cc2ccccc2N1Cc1oc(C)nc1C	ZINC000852076725	CD	On-Demand	Anodyne	OPRD1	52	34
CNC(=O)[C@H]1Cc2ccccc2N1Cc1oc(C)nc1C	ZINC000852076725	CD	On-Demand	Anodyne	ADAM9	47	31
CNC(=O)[C@H]1Cc2ccccc2N1Cc1oc(C)nc1C	ZINC000852076725	CD	On-Demand	Anodyne	TPP2	42	46
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccnc(Br)c1	ZINC000852076727	EF	On-Demand	Anodyne	ADAM9	59	33
CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccnc(Br)c1	ZINC000852076727	EF	On-Demand	Anodyne	TPP2	17	44
CS(=O)(=O)N=S1(=O)CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852076729	EC	On-Demand	Mild	PTAFR	34	40
CS(=O)(=O)N=S1(=O)CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852076730	EC	On-Demand	Mild	PTAFR	34	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852076735	GG	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852076736	GG	On-Demand	Anodyne	GPR119	36	42
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(/C=C\C(=O)OC)cc1	ZINC000852076742	GE	On-Demand	Anodyne	LTA4H	21	41
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(/C=C\C(=O)OC)cc1	ZINC000852076742	GE	On-Demand	Anodyne	MMP3	28	42
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(/C=C\C(=O)OC)cc1	ZINC000852076742	GE	On-Demand	Anodyne	ADAM9	60	37
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(/C=C/C(=O)OC)cc1	ZINC000852076744	GE	On-Demand	Anodyne	LTA4H	21	41
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(/C=C/C(=O)OC)cc1	ZINC000852076744	GE	On-Demand	Anodyne	MMP3	28	42
CNC(=O)[C@H]1Cc2ccccc2N1CCOc1ccc(/C=C/C(=O)OC)cc1	ZINC000852076744	GE	On-Demand	Anodyne	ADAM9	60	37
Cc1ccc(CC2CCN(C[C@H](O)c3ccccn3)CC2)cc1C	ZINC000852076757	DH	On-Demand	Anodyne	GRIN2B	37	46
Cc1ccc(CC2CCN(C[C@H](O)c3ccccn3)CC2)cc1C	ZINC000852076757	DH	On-Demand	Anodyne	CCR3	22	40
Cc1ccc(CC2CCN(C[C@H](O)c3ccccn3)CC2)cc1C	ZINC000852076757	DH	On-Demand	Anodyne	GRIN2C	22	41
Cc1ccc(CC2CCN(C[C@@H](O)c3ccccn3)CC2)cc1C	ZINC000852076758	DH	On-Demand	Anodyne	GRIN2B	37	46
Cc1ccc(CC2CCN(C[C@@H](O)c3ccccn3)CC2)cc1C	ZINC000852076758	DH	On-Demand	Anodyne	CCR3	22	40
Cc1ccc(CC2CCN(C[C@@H](O)c3ccccn3)CC2)cc1C	ZINC000852076758	DH	On-Demand	Anodyne	GRIN2C	22	41
O=C1CC[C@H](CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076781	FF	On-Demand	Anodyne	CTSK	17	41
O=C1CC[C@H](CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076781	FF	On-Demand	Anodyne	CTSL	22	41
O=C1CC[C@H](CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076781	FF	On-Demand	Anodyne	NAAA	51	37
O=C1CC[C@H](CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076782	FF	On-Demand	Anodyne	CTSK	17	41
O=C1CC[C@H](CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076782	FF	On-Demand	Anodyne	CTSL	22	41
O=C1CC[C@H](CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076782	FF	On-Demand	Anodyne	NAAA	51	37
O=C1CC[C@H](CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076783	FF	On-Demand	Anodyne	CTSK	17	41
O=C1CC[C@H](CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076783	FF	On-Demand	Anodyne	CTSL	22	41
O=C1CC[C@H](CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076783	FF	On-Demand	Anodyne	NAAA	51	37
O=C1CC[C@H](CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076784	FF	On-Demand	Anodyne	CTSK	17	41
O=C1CC[C@H](CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076784	FF	On-Demand	Anodyne	CTSL	22	41
O=C1CC[C@H](CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)O1	ZINC000852076784	FF	On-Demand	Anodyne	NAAA	51	37
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)CC[C@H]21	ZINC000852076827	GD	On-Demand	Anodyne	CHRM2	23	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)CC[C@H]21	ZINC000852076827	GD	On-Demand	Anodyne	CHRM3	36	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)CC[C@H]21	ZINC000852076827	GD	On-Demand	Anodyne	AMY2	52	31
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)CC[C@@H]21	ZINC000852076828	GD	On-Demand	Anodyne	CHRM2	23	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)CC[C@@H]21	ZINC000852076828	GD	On-Demand	Anodyne	CHRM3	36	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)CC[C@@H]21	ZINC000852076828	GD	On-Demand	Anodyne	AMY2	52	31
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)CC[C@@H]21	ZINC000852076829	GD	On-Demand	Anodyne	CHRM2	23	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)CC[C@@H]21	ZINC000852076829	GD	On-Demand	Anodyne	CHRM3	36	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)CC[C@@H]21	ZINC000852076829	GD	On-Demand	Anodyne	AMY2	52	31
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)CC[C@H]21	ZINC000852076830	GD	On-Demand	Anodyne	CHRM2	23	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)CC[C@H]21	ZINC000852076830	GD	On-Demand	Anodyne	CHRM3	36	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)CC[C@H]21	ZINC000852076830	GD	On-Demand	Anodyne	AMY2	52	31
COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C)C(C)C)C1	ZINC000852076848	CF	On-Demand	Anodyne	ADRA1A	19	44
COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C)C(C)C)C1	ZINC000852076848	CF	On-Demand	Anodyne	OPRL1	23	42
COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C)C(C)C)C1	ZINC000852076848	CF	On-Demand	Anodyne	KCNA3	25	40
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C)C(C)C)C1	ZINC000852076854	CF	On-Demand	Anodyne	ADRA1A	19	44
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C)C(C)C)C1	ZINC000852076854	CF	On-Demand	Anodyne	OPRL1	23	42
COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C)C(C)C)C1	ZINC000852076854	CF	On-Demand	Anodyne	KCNA3	25	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCc3ccc(C#N)cc3)CC[C@@H]21	ZINC000852076864	FG	On-Demand	Mild	GPR119	17	42
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCc3ccc(C#N)cc3)CC[C@@H]21	ZINC000852076864	FG	On-Demand	Mild	KCNJ1	17	43
CC(C)(C)OC(=O)N1CC[C@H]2CN(CCc3ccc(C#N)cc3)CC[C@@H]21	ZINC000852076866	FG	On-Demand	Mild	GPR119	17	42
CC(C)(C)OC(=O)N1CC[C@H]2CN(CCc3ccc(C#N)cc3)CC[C@@H]21	ZINC000852076866	FG	On-Demand	Mild	KCNJ1	17	43
CC(C)(C)OC(=O)N1CC[C@H]2CN(CCc3ccc(C#N)cc3)CC[C@H]21	ZINC000852076869	FG	On-Demand	Mild	GPR119	17	42
CC(C)(C)OC(=O)N1CC[C@H]2CN(CCc3ccc(C#N)cc3)CC[C@H]21	ZINC000852076869	FG	On-Demand	Mild	KCNJ1	17	43
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCc3ccc(C#N)cc3)CC[C@H]21	ZINC000852076871	FG	On-Demand	Mild	GPR119	17	42
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCc3ccc(C#N)cc3)CC[C@H]21	ZINC000852076871	FG	On-Demand	Mild	KCNJ1	17	43
O=C(NC1CCC1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852076886	EF	On-Demand	Anodyne	EPHX2	44	39
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2nnn(C(C)(C)C)n2)C1	ZINC000852076918	FD	On-Demand	Anodyne	ADRA1A	25	42
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2nnn(C(C)(C)C)n2)C1	ZINC000852076918	FD	On-Demand	Anodyne	ADRA1B	15	42
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@@H]2COC(C)(C)O2)C1	ZINC000852076929	EE	On-Demand	Anodyne	ADRA1D	30	44
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@@H]2COC(C)(C)O2)C1	ZINC000852076929	EE	On-Demand	Anodyne	ADRA1A	45	45
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@@H]2COC(C)(C)O2)C1	ZINC000852076929	EE	On-Demand	Anodyne	ADRA1B	37	44
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@@H]2COC(C)(C)O2)C1	ZINC000852076929	EE	On-Demand	Anodyne	SIGMAR1	31	43
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@H]2COC(C)(C)O2)C1	ZINC000852076930	EE	On-Demand	Anodyne	ADRA1D	30	44
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@H]2COC(C)(C)O2)C1	ZINC000852076930	EE	On-Demand	Anodyne	ADRA1A	45	45
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@H]2COC(C)(C)O2)C1	ZINC000852076930	EE	On-Demand	Anodyne	ADRA1B	37	44
COC(=O)[C@@]1(c2ccccc2)CCN(CC[C@H]2COC(C)(C)O2)C1	ZINC000852076930	EE	On-Demand	Anodyne	SIGMAR1	31	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	ADRA1A	29	47
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	ADRA1B	17	47
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	OPRM1	15	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	OPRD1	18	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	OPRK1	17	41
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	CHRM3	18	45
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	SIGMAR1	50	42
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	MCHR2	48	36
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	CCR8	28	47
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	NPFFR1	44	39
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(N)c2)C1	ZINC000852076939	DF	On-Demand	Anodyne	SLC12A5	58	36
COC(=O)[C@@]1(c2ccccc2)CCN(CC2CC=CC2)C1	ZINC000852076953	CF	On-Demand	Anodyne	ADRA1D	27	46
COC(=O)[C@@]1(c2ccccc2)CCN(CC2CC=CC2)C1	ZINC000852076953	CF	On-Demand	Anodyne	ADRA1A	43	46
COC(=O)[C@@]1(c2ccccc2)CCN(CC2CC=CC2)C1	ZINC000852076953	CF	On-Demand	Anodyne	ADRA1B	34	46
COC(=O)[C@@]1(c2ccccc2)CCN(CC2CC=CC2)C1	ZINC000852076953	CF	On-Demand	Anodyne	SIGMAR1	18	50
COC(=O)[C@@]1(c2ccccc2)CCN(CC2CC=CC2)C1	ZINC000852076953	CF	On-Demand	Anodyne	KCNA3	27	45
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2CNC(=O)C2)C1	ZINC000852077030	DC	On-Demand	Anodyne	ADRA1D	24	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2CNC(=O)C2)C1	ZINC000852077030	DC	On-Demand	Anodyne	ADRA1A	38	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@H]2CNC(=O)C2)C1	ZINC000852077030	DC	On-Demand	Anodyne	ADRA1B	29	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2CNC(=O)C2)C1	ZINC000852077031	DC	On-Demand	Anodyne	ADRA1D	24	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2CNC(=O)C2)C1	ZINC000852077031	DC	On-Demand	Anodyne	ADRA1A	38	44
COC(=O)[C@@]1(c2ccccc2)CCN(C[C@@H]2CNC(=O)C2)C1	ZINC000852077031	DC	On-Demand	Anodyne	ADRA1B	29	44
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1	ZINC000852077038	FG	On-Demand	Bother	ADRA1D	16	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1	ZINC000852077038	FG	On-Demand	Bother	ADRA1A	33	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1	ZINC000852077038	FG	On-Demand	Bother	ADRA1B	22	45
O=C(NC1CCC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852077041	FF	On-Demand	Anodyne	TACR1	20	40
O=C(NC1CCC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852077041	FF	On-Demand	Anodyne	EPHX2	43	47
O=C(NC1CCC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852077041	FF	On-Demand	Anodyne	RBP4	46	32
O=C(NC1CCC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852077041	FF	On-Demand	Anodyne	SMO	22	48
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccc(N)c3)CC[C@H]21	ZINC000852077060	EG	On-Demand	Anodyne	DRD4	22	40
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccc(N)c3)CC[C@H]21	ZINC000852077060	EG	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(N)c3)CC[C@H]21	ZINC000852077061	EG	On-Demand	Anodyne	DRD4	22	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(N)c3)CC[C@H]21	ZINC000852077061	EG	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccc(N)c3)CC[C@@H]21	ZINC000852077062	EG	On-Demand	Anodyne	DRD4	22	40
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cccc(N)c3)CC[C@@H]21	ZINC000852077062	EG	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(N)c3)CC[C@@H]21	ZINC000852077063	EG	On-Demand	Anodyne	DRD4	22	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(N)c3)CC[C@@H]21	ZINC000852077063	EG	On-Demand	Anodyne	GPR119	21	40
CCc1nc(CNC(=O)NNc2ccc(Cl)cn2)cs1	ZINC000852077064	DF	On-Demand	Reactive	F10	47	31
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H](O)c3ccccn3)CC[C@H]21	ZINC000852077072	EE	On-Demand	Anodyne	GPR119	18	47
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H](O)c3ccccn3)CC[C@@H]21	ZINC000852077073	EE	On-Demand	Anodyne	GPR119	18	47
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H](O)c3ccccn3)CC[C@H]21	ZINC000852077074	EE	On-Demand	Anodyne	GPR119	18	47
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H](O)c3ccccn3)CC[C@@H]21	ZINC000852077075	EE	On-Demand	Anodyne	GPR119	18	47
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852077099	EF	On-Demand	Mild	ADRA1D	15	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852077099	EF	On-Demand	Mild	ADRA1A	34	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852077099	EF	On-Demand	Mild	ADRA1B	21	51
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852077099	EF	On-Demand	Mild	SIGMAR1	29	45
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852077099	EF	On-Demand	Mild	SLC12A5	38	43
COC(=O)[C@@]1(c2ccccc2)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852077099	EF	On-Demand	Mild	KCNJ1	41	47
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1(CO)CCC1	ZINC000852077117	CC	On-Demand	Anodyne	AMY2	53	32
COc1ccc(N2CC[C@H](NC(=O)NCCc3c(C)noc3C)C2)cc1	ZINC000852077135	FE	On-Demand	Clean	MTNR1A	26	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3c(C)noc3C)C2)cc1	ZINC000852077135	FE	On-Demand	Clean	MTNR1B	22	41
CCCCCC[C@](O)(CN1C[C@@H]2[C@@H](CO)[C@@H]2C1)C(=O)OC	ZINC000852077141	CD	On-Demand	Anodyne	GBA2	42	37
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2nsc3ccccc23)C1	ZINC000852077153	FH	On-Demand	Anodyne	DRD2	20	43
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2nsc3ccccc23)C1	ZINC000852077153	FH	On-Demand	Anodyne	ADRA1A	32	41
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2nsc3ccccc23)C1	ZINC000852077153	FH	On-Demand	Anodyne	ADRA1B	16	41
COC[C@@H](CN1CC[C@](C(=O)OC)(c2ccccc2)C1)OC	ZINC000852077156	DD	On-Demand	Anodyne	ADRA1A	28	47
COC[C@@H](CN1CC[C@](C(=O)OC)(c2ccccc2)C1)OC	ZINC000852077156	DD	On-Demand	Anodyne	ADRA1B	17	47
COC[C@@H](CN1CC[C@@](C(=O)OC)(c2ccccc2)C1)OC	ZINC000852077158	DD	On-Demand	Anodyne	ADRA1A	28	47
COC[C@@H](CN1CC[C@@](C(=O)OC)(c2ccccc2)C1)OC	ZINC000852077158	DD	On-Demand	Anodyne	ADRA1B	17	47
CCN1OC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077171	GE	On-Demand	Anodyne	CTSK	21	44
CCN1OC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077171	GE	On-Demand	Anodyne	CTSL	31	43
CCN1OC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077171	GE	On-Demand	Anodyne	CAPN2	43	35
CCN1OC[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077171	GE	On-Demand	Anodyne	NAAA	54	36
CCN1OC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077172	GE	On-Demand	Anodyne	CTSK	21	44
CCN1OC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077172	GE	On-Demand	Anodyne	CTSL	31	43
CCN1OC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077172	GE	On-Demand	Anodyne	CAPN2	43	35
CCN1OC[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077172	GE	On-Demand	Anodyne	NAAA	54	36
CCN1OC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077173	GE	On-Demand	Anodyne	CTSK	21	44
CCN1OC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077173	GE	On-Demand	Anodyne	CTSL	31	43
CCN1OC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077173	GE	On-Demand	Anodyne	CAPN2	43	35
CCN1OC[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077173	GE	On-Demand	Anodyne	NAAA	54	36
CCN1OC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077174	GE	On-Demand	Anodyne	CTSK	21	44
CCN1OC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077174	GE	On-Demand	Anodyne	CTSL	31	43
CCN1OC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077174	GE	On-Demand	Anodyne	CAPN2	43	35
CCN1OC[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O	ZINC000852077174	GE	On-Demand	Anodyne	NAAA	54	36
COCc1cc(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)ccc1F	ZINC000852077199	GD	On-Demand	Anodyne	TRPV1	20	41
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077243	GG	On-Demand	Anodyne	CTRA_BOVIN	50	32
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077243	GG	On-Demand	Anodyne	CTSG	40	32
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077243	GG	On-Demand	Anodyne	CTSK	22	40
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077243	GG	On-Demand	Anodyne	CTSL	23	40
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077243	GG	On-Demand	Anodyne	CELA2A	41	32
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077243	GG	On-Demand	Anodyne	CAPN2	42	35
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077243	GG	On-Demand	Anodyne	NPR	40	32
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077244	GG	On-Demand	Anodyne	CTRA_BOVIN	50	32
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077244	GG	On-Demand	Anodyne	CTSG	40	32
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077244	GG	On-Demand	Anodyne	CTSK	22	40
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077244	GG	On-Demand	Anodyne	CTSL	23	40
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077244	GG	On-Demand	Anodyne	CELA2A	41	32
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077244	GG	On-Demand	Anodyne	CAPN2	42	35
O=C(N[C@@H]1C[C@H]1C1CCN(CCO[C@H]2CC2(F)F)CC1)OCc1ccccc1	ZINC000852077244	GG	On-Demand	Anodyne	NPR	40	32
CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(=O)Nc3cnccn3)CC[C@@H]21	ZINC000852077246	FD	On-Demand	Anodyne	GPR119	19	45
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3cnccn3)CC[C@@H]21	ZINC000852077247	FD	On-Demand	Anodyne	GPR119	19	45
CC(C)(C)OC(=O)N1CC[C@H]2CN(CC(=O)Nc3cnccn3)CC[C@H]21	ZINC000852077248	FD	On-Demand	Anodyne	GPR119	19	45
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3cnccn3)CC[C@H]21	ZINC000852077249	FD	On-Demand	Anodyne	GPR119	19	45
COCc1cc(CNC(=O)N2CCC(NC(=O)OC)CC2)ccc1F	ZINC000852077251	FE	On-Demand	Anodyne	CCR3	20	40
COCc1cc(CNC(=O)N2CCC(NC(=O)OC)CC2)ccc1F	ZINC000852077251	FE	On-Demand	Anodyne	EPHX2	29	42
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	CTSB	21	45
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	CTSK	26	45
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	CTSL	34	45
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	SLC18A3	73	47
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	TGM2	26	41
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	F13A1	29	41
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	NAAA	48	41
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	SLC12A5	46	35
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077260	FF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	41
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	CTSB	21	45
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	CTSK	26	45
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	CTSL	34	45
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	SLC18A3	73	47
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	TGM2	26	41
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	F13A1	29	41
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	NAAA	48	41
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	SLC12A5	46	35
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077261	FF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	41
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	CTSB	21	45
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	CTSK	26	45
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	CTSL	34	45
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	SLC18A3	73	47
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	TGM2	26	41
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	F13A1	29	41
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	NAAA	48	41
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	SLC12A5	46	35
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077263	FF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	41
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	SIGMAR1	15	44
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	CTSB	22	46
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	CTSK	27	46
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	CTSL	35	42
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	SLC18A3	78	48
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	PREP	28	40
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	CAPN2	40	34
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	TGM2	27	41
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	F13A1	30	41
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	NAAA	49	42
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	SLC12A5	58	36
O=C(N[C@@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077351	FG	On-Demand	Anodyne	Q9NAW4_PLAFA	34	42
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	SIGMAR1	15	44
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	CTSB	22	46
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	CTSK	27	46
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	CTSL	35	42
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	SLC18A3	78	48
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	PREP	28	40
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	CAPN2	40	34
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	TGM2	27	41
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	F13A1	30	41
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	NAAA	49	42
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	SLC12A5	58	36
O=C(N[C@H]1C[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077352	FG	On-Demand	Anodyne	Q9NAW4_PLAFA	34	42
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	SIGMAR1	15	44
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	CTSB	22	46
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	CTSK	27	46
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	CTSL	35	42
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	SLC18A3	78	48
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	PREP	28	40
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	CAPN2	40	34
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	TGM2	27	41
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	F13A1	30	41
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	NAAA	49	42
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	SLC12A5	58	36
O=C(N[C@H]1C[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)OCc1ccccc1	ZINC000852077353	FG	On-Demand	Anodyne	Q9NAW4_PLAFA	34	42
O=C1C[C@H](CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CN1	ZINC000852077382	FE	On-Demand	Anodyne	CTSK	15	40
O=C1C[C@H](CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CN1	ZINC000852077382	FE	On-Demand	Anodyne	CTSL	20	40
O=C1C[C@H](CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CN1	ZINC000852077383	FE	On-Demand	Anodyne	CTSK	15	40
O=C1C[C@H](CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CN1	ZINC000852077383	FE	On-Demand	Anodyne	CTSL	20	40
O=C1C[C@H](CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CN1	ZINC000852077384	FE	On-Demand	Anodyne	CTSK	15	40
O=C1C[C@H](CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)CN1	ZINC000852077384	FE	On-Demand	Anodyne	CTSL	20	40
O=C1C[C@H](CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CN1	ZINC000852077385	FE	On-Demand	Anodyne	CTSK	15	40
O=C1C[C@H](CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)CN1	ZINC000852077385	FE	On-Demand	Anodyne	CTSL	20	40
O=C(N[C@@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077403	FG	On-Demand	Anodyne	LTA4H	20	40
O=C(N[C@@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077403	FG	On-Demand	Anodyne	CTSB	25	42
O=C(N[C@@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077403	FG	On-Demand	Anodyne	CTSK	29	42
O=C(N[C@@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077403	FG	On-Demand	Anodyne	CAPNS1	45	29
O=C(N[C@@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077403	FG	On-Demand	Anodyne	CAPN2	71	36
O=C(N[C@@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077403	FG	On-Demand	Anodyne	NPR	53	33
O=C(N[C@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077405	FG	On-Demand	Anodyne	LTA4H	20	40
O=C(N[C@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077405	FG	On-Demand	Anodyne	CTSB	25	42
O=C(N[C@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077405	FG	On-Demand	Anodyne	CTSK	29	42
O=C(N[C@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077405	FG	On-Demand	Anodyne	CAPNS1	45	29
O=C(N[C@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077405	FG	On-Demand	Anodyne	CAPN2	71	36
O=C(N[C@H]1C[C@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077405	FG	On-Demand	Anodyne	NPR	53	33
O=C(N[C@H]1C[C@@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077406	FG	On-Demand	Anodyne	LTA4H	20	40
O=C(N[C@H]1C[C@@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077406	FG	On-Demand	Anodyne	CTSB	25	42
O=C(N[C@H]1C[C@@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077406	FG	On-Demand	Anodyne	CTSK	29	42
O=C(N[C@H]1C[C@@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077406	FG	On-Demand	Anodyne	CAPNS1	45	29
O=C(N[C@H]1C[C@@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077406	FG	On-Demand	Anodyne	CAPN2	71	36
O=C(N[C@H]1C[C@@H]1C1CCN(CCOC(F)F)CC1)OCc1ccccc1	ZINC000852077406	FG	On-Demand	Anodyne	NPR	53	33
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cnc4ccccc4n3)CC[C@@H]21	ZINC000852077458	FG	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cnc4ccccc4n3)CC[C@H]21	ZINC000852077459	FG	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cnc4ccccc4n3)CC[C@H]21	ZINC000852077460	FG	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@H]2CN(Cc3cnc4ccccc4n3)CC[C@@H]21	ZINC000852077461	FG	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@H]2CN([C@@H]3CCC[C@H]3O)CC[C@@H]21	ZINC000852077466	DE	On-Demand	Anodyne	SLC18A3	26	42
CC(C)(C)OC(=O)N1CC[C@H]2CN([C@@H]3CCC[C@H]3O)CC[C@@H]21	ZINC000852077466	DE	On-Demand	Anodyne	GPR119	20	43
CC(C)(C)OC(=O)N1CC[C@H]2CN([C@@H]3CCC[C@H]3O)CC[C@H]21	ZINC000852077467	DE	On-Demand	Anodyne	SLC18A3	26	42
CC(C)(C)OC(=O)N1CC[C@H]2CN([C@@H]3CCC[C@H]3O)CC[C@H]21	ZINC000852077467	DE	On-Demand	Anodyne	GPR119	20	43
CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CCC[C@H]3O)CC[C@H]21	ZINC000852077468	DE	On-Demand	Anodyne	SLC18A3	26	42
CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CCC[C@H]3O)CC[C@H]21	ZINC000852077468	DE	On-Demand	Anodyne	GPR119	20	43
CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CCC[C@H]3O)CC[C@@H]21	ZINC000852077469	DE	On-Demand	Anodyne	SLC18A3	26	42
CC(C)(C)OC(=O)N1CC[C@@H]2CN([C@@H]3CCC[C@H]3O)CC[C@@H]21	ZINC000852077469	DE	On-Demand	Anodyne	GPR119	20	43
N#Cc1ccncc1N1CCN(Cc2cccc(F)n2)CC1	ZINC000852077481	CD	On-Demand	Mild	DRD4	30	40
Cc1nc(CN2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)co1	ZINC000852077531	FH	On-Demand	Anodyne	CTSK	18	40
Cc1nc(CN2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)co1	ZINC000852077532	FH	On-Demand	Anodyne	CTSK	18	40
Cc1nc(CN2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)co1	ZINC000852077533	FH	On-Demand	Anodyne	CTSK	18	40
Cc1nc(CN2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)co1	ZINC000852077534	FH	On-Demand	Anodyne	CTSK	18	40
CC(C)(C)OC(=O)N1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@@H]21	ZINC000852077546	DF	On-Demand	Anodyne	SLC18A3	32	45
CC(C)(C)OC(=O)N1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@@H]21	ZINC000852077546	DF	On-Demand	Anodyne	GPR119	18	43
CC(C)(C)OC(=O)N1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@H]21	ZINC000852077547	DF	On-Demand	Anodyne	SLC18A3	32	45
CC(C)(C)OC(=O)N1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@H]21	ZINC000852077547	DF	On-Demand	Anodyne	GPR119	18	43
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCN(c3cnccc3C#N)CC2)C1	ZINC000852077612	GD	On-Demand	Mild	GPR119	42	48
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCN(c3cnccc3C#N)CC2)C1	ZINC000852077613	GD	On-Demand	Mild	GPR119	42	48
CN(CCOC(F)F)CC(=O)NC(c1ccccc1)c1ccccc1	ZINC000852077620	EG	On-Demand	Anodyne	SLC6A9	26	42
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)N1CCC(c2ccon2)CC1	ZINC000852077752	GF	On-Demand	Anodyne	SMO	27	42
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CCC(c2ccon2)CC1	ZINC000852077753	GF	On-Demand	Anodyne	SMO	27	42
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852077813	FF	On-Demand	Mild	DPP4	29	45
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852077813	FF	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852077814	FF	On-Demand	Mild	DPP4	29	45
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852077814	FF	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCc3cocn3)C2)CC1	ZINC000852077893	GG	On-Demand	Anodyne	GPR119	42	48
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCc3cocn3)C2)CC1	ZINC000852077894	GG	On-Demand	Anodyne	GPR119	42	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3nnc4n3CCC4)C2)cc1	ZINC000852077901	FD	On-Demand	Clean	NPBWR1	40	31
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3nnc4n3CCC4)C2)cc1	ZINC000852077902	FD	On-Demand	Clean	NPBWR1	40	31
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852078061	GF	On-Demand	Anodyne	DPP4	20	43
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852078062	GF	On-Demand	Anodyne	DPP4	20	43
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852078063	GF	On-Demand	Anodyne	DPP4	20	43
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852078064	GF	On-Demand	Anodyne	DPP4	20	43
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NCc3cocn3)CC2)C1	ZINC000852078098	GG	On-Demand	Anodyne	GPR119	32	45
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NCc3cocn3)CC2)C1	ZINC000852078099	GG	On-Demand	Anodyne	GPR119	32	45
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852078108	EC	On-Demand	Anodyne	AMY2	47	33
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852078109	EC	On-Demand	Anodyne	AMY2	47	33
NC(=O)[C@@](O)(CN1CCOC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852078162	DD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@@](O)(CN1CCOC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852078163	DD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CCOC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852078164	DD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CCOC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852078165	DD	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN(C1CCC1)C1CCC1)c1ccccc1	ZINC000852078251	CD	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@](O)(CN(C1CCC1)C1CCC1)c1ccccc1	ZINC000852078251	CD	On-Demand	Anodyne	CHRM1	21	40
NC(=O)[C@](O)(CN(C1CCC1)C1CCC1)c1ccccc1	ZINC000852078251	CD	On-Demand	Anodyne	CHRM3	34	40
NC(=O)[C@](O)(CN(C1CCC1)C1CCC1)c1ccccc1	ZINC000852078251	CD	On-Demand	Anodyne	AMY2	59	35
NC(=O)[C@@](O)(CN(C1CCC1)C1CCC1)c1ccccc1	ZINC000852078252	CD	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@@](O)(CN(C1CCC1)C1CCC1)c1ccccc1	ZINC000852078252	CD	On-Demand	Anodyne	CHRM1	21	40
NC(=O)[C@@](O)(CN(C1CCC1)C1CCC1)c1ccccc1	ZINC000852078252	CD	On-Demand	Anodyne	CHRM3	34	40
NC(=O)[C@@](O)(CN(C1CCC1)C1CCC1)c1ccccc1	ZINC000852078252	CD	On-Demand	Anodyne	AMY2	59	35
CCCN(CC(N)=O)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2	ZINC000852078267	FF	On-Demand	Anodyne	Q6PRC7_IXORI	62	41
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCc1ncccn1	ZINC000852078380	ED	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCc1ncccn1	ZINC000852078382	ED	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852078423	GF	On-Demand	Anodyne	CACNA1I	51	39
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852078424	GF	On-Demand	Anodyne	CACNA1I	51	39
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852078575	FF	On-Demand	Reactive	DPP4	17	42
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852078577	FF	On-Demand	Reactive	DPP4	17	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cocn3)C2)cc1	ZINC000852078622	DD	On-Demand	Clean	MCHR1	16	47
COC(=O)c1ccc2nc(CN(C)[C@@H]3CC(C)(C)OC3=O)[nH]c2c1	ZINC000852078638	ED	On-Demand	Anodyne	CSNK1E	18	42
COC(=O)c1ccc2nc(CN(C)[C@H]3CC(C)(C)OC3=O)[nH]c2c1	ZINC000852078640	ED	On-Demand	Anodyne	CSNK1E	18	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCCOCC2CC2)O1	ZINC000852078655	GD	On-Demand	Reactive	SIGMAR1	22	41
O=C(NCCOCC1CC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852078709	EF	On-Demand	Anodyne	ADRB1	15	42
O=C(NCCOCC1CC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852078711	EF	On-Demand	Anodyne	ADRB1	15	42
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2O[C@@H](C)C1	ZINC000852078862	EF	On-Demand	Anodyne	ADAM9	53	35
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2O[C@H](C)C1	ZINC000852078863	EF	On-Demand	Anodyne	ADAM9	53	35
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2O[C@H](C)C1	ZINC000852078864	EF	On-Demand	Anodyne	ADAM9	53	35
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2O[C@@H](C)C1	ZINC000852078865	EF	On-Demand	Anodyne	ADAM9	53	35
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCCc1ccnc2ccccc12	ZINC000852078873	GG	On-Demand	Anodyne	PREP	27	43
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCCc1ccnc2ccccc12	ZINC000852078874	GG	On-Demand	Anodyne	PREP	27	43
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852078945	DE	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852078947	DE	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852078949	DE	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852078951	DE	On-Demand	Anodyne	GPR119	20	40
CC[C@H]1CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852078991	BC	On-Demand	Anodyne	CHRM3	39	40
CC[C@H]1CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852078991	BC	On-Demand	Anodyne	AMY2	54	32
CC[C@H]1CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852078991	BC	On-Demand	Anodyne	CYP2J2	48	34
CC[C@H]1CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852078992	BC	On-Demand	Anodyne	CHRM3	39	40
CC[C@H]1CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852078992	BC	On-Demand	Anodyne	AMY2	54	32
CC[C@H]1CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852078992	BC	On-Demand	Anodyne	CYP2J2	48	34
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3OC)C2)cc1	ZINC000852078997	GG	On-Demand	Clean	AVPR1B	44	31
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3OC)C2)cc1	ZINC000852078997	GG	On-Demand	Clean	P2RX7	38	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3OC)C2)cc1	ZINC000852078997	GG	On-Demand	Clean	EPHX2	22	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3OC)C2)cc1	ZINC000852078997	GG	On-Demand	Clean	MCHR1	24	44
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)c(Br)c1	ZINC000852079031	GG	On-Demand	Anodyne	CACNA1H	20	41
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)c(Br)c1	ZINC000852079031	GG	On-Demand	Anodyne	MAPK1	49	40
COC(=O)N(C)CCNC(=O)NCCc1ccc(Br)cc1F	ZINC000852079053	GE	On-Demand	Anodyne	MTNR1A	31	40
COC(=O)N(C)CCNC(=O)NCCc1ccc(Br)cc1F	ZINC000852079053	GE	On-Demand	Anodyne	MTNR1B	15	43
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CC(C)(C)OC1=O	ZINC000852079079	DC	On-Demand	Anodyne	AMY2	44	31
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CC(C)(C)OC1=O	ZINC000852079081	DC	On-Demand	Anodyne	AMY2	44	31
OCC[C@H](NCc1cccc(Oc2ccccc2)c1)C(F)(F)F	ZINC000852079146	EH	On-Demand	Anodyne	AMP1_PLAFQ	23	42
OCC[C@H](NCc1cccc(Oc2ccccc2)c1)C(F)(F)F	ZINC000852079146	EH	On-Demand	Anodyne	CRTM	53	36
OCC[C@@H](NCc1cccc(Oc2ccccc2)c1)C(F)(F)F	ZINC000852079147	EH	On-Demand	Anodyne	AMP1_PLAFQ	23	42
OCC[C@@H](NCc1cccc(Oc2ccccc2)c1)C(F)(F)F	ZINC000852079147	EH	On-Demand	Anodyne	CRTM	53	36
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852079304	GF	On-Demand	Anodyne	CHRM4	15	42
CS(=O)(=O)c1ccc(OCCN[C@H](CCO)C(F)(F)F)cc1	ZINC000852079312	ED	On-Demand	Anodyne	CTSF	45	31
CS(=O)(=O)c1ccc(OCCN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852079315	ED	On-Demand	Anodyne	CTSF	45	31
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOc4ccccc43)C2)cc1	ZINC000852079318	GG	On-Demand	Clean	MTNR1A	22	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOc4ccccc43)C2)cc1	ZINC000852079318	GG	On-Demand	Clean	MTNR1B	20	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOc4ccccc43)C2)cc1	ZINC000852079321	GG	On-Demand	Clean	MTNR1A	22	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOc4ccccc43)C2)cc1	ZINC000852079321	GG	On-Demand	Clean	MTNR1B	20	47
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852079335	GF	On-Demand	Anodyne	CHRM4	15	42
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852079336	GF	On-Demand	Anodyne	CHRM4	15	42
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852079337	GF	On-Demand	Anodyne	CHRM4	15	42
OCC[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C(F)(F)F	ZINC000852079379	EF	On-Demand	Anodyne	LUCI_PHOPY	78	48
OCC[C@@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)C(F)(F)F	ZINC000852079382	EF	On-Demand	Anodyne	LUCI_PHOPY	78	48
OCC[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C(F)(F)F	ZINC000852079385	EF	On-Demand	Anodyne	LUCI_PHOPY	78	48
OCC[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)C(F)(F)F	ZINC000852079388	EF	On-Demand	Anodyne	LUCI_PHOPY	78	48
OCC[C@@H](NC[C@@H](O)c1ccccc1)C(F)(F)F	ZINC000852079472	CD	On-Demand	Anodyne	ADRB3	19	43
OCC[C@H](NC[C@@H](O)c1ccccc1)C(F)(F)F	ZINC000852079474	CD	On-Demand	Anodyne	ADRB3	19	43
CCCCN1CCCC[C@H]1CNC(=O)N(CCF)CCOC	ZINC000852079501	DE	On-Demand	Anodyne	DRD2	31	42
CCCCN1CCCC[C@@H]1CNC(=O)N(CCF)CCOC	ZINC000852079503	DE	On-Demand	Anodyne	DRD2	31	42
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852079584	GC	On-Demand	Anodyne	CA2	61	48
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852079584	GC	On-Demand	Anodyne	CA1	49	48
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852079584	GC	On-Demand	Anodyne	CA7	23	42
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852079584	GC	On-Demand	Anodyne	CA5B	39	42
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852079584	GC	On-Demand	Anodyne	CA4	72	48
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852079584	GC	On-Demand	Anodyne	CA5A	45	42
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852079584	GC	On-Demand	Anodyne	CA12	21	43
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852079584	GC	On-Demand	Anodyne	CA9	21	43
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852079586	GC	On-Demand	Anodyne	CA2	61	48
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852079586	GC	On-Demand	Anodyne	CA1	49	48
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852079586	GC	On-Demand	Anodyne	CA7	23	42
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852079586	GC	On-Demand	Anodyne	CA5B	39	42
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852079586	GC	On-Demand	Anodyne	CA4	72	48
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852079586	GC	On-Demand	Anodyne	CA5A	45	42
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852079586	GC	On-Demand	Anodyne	CA12	21	43
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852079586	GC	On-Demand	Anodyne	CA9	21	43
OCC[C@@H](NCCCOCc1ccccc1)C(F)(F)F	ZINC000852079684	CE	On-Demand	Anodyne	GBA2	49	38
OCC[C@H](NCCCOCc1ccccc1)C(F)(F)F	ZINC000852079685	CE	On-Demand	Anodyne	GBA2	49	38
OCC[C@H](NCCSc1ccnc2cc(Cl)ccc12)C(F)(F)F	ZINC000852079719	FH	On-Demand	Anodyne	HRP1_PLAFA	76	36
OCC[C@@H](NCCSc1ccnc2cc(Cl)ccc12)C(F)(F)F	ZINC000852079723	FH	On-Demand	Anodyne	HRP1_PLAFA	76	36
C#C[C@H](NC(=O)NCC1(N2CCC(OC)CC2)CCCC1)C1CCOCC1	ZINC000852079759	GE	On-Demand	Mild	HCN1	58	33
C#C[C@H](NC(=O)NCC1(N2CCC(OC)CC2)CCCC1)C1CCOCC1	ZINC000852079759	GE	On-Demand	Mild	HCN4	51	33
C#C[C@@H](NC(=O)NCC1(N2CCC(OC)CC2)CCCC1)C1CCOCC1	ZINC000852079760	GE	On-Demand	Mild	HCN1	58	33
C#C[C@@H](NC(=O)NCC1(N2CCC(OC)CC2)CCCC1)C1CCOCC1	ZINC000852079760	GE	On-Demand	Mild	HCN4	51	33
OCC[C@@H](NCc1ccccc1OC1CC1)C(F)(F)F	ZINC000852079813	CF	On-Demand	Anodyne	SLC5A4	44	35
OCC[C@H](NCc1ccccc1OC1CC1)C(F)(F)F	ZINC000852079814	CF	On-Demand	Anodyne	SLC5A4	44	35
CCCN(CC(N)=O)CC(=O)Nc1ccc(Cl)nc1	ZINC000852079976	CC	On-Demand	Anodyne	CA4	21	40
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1nc2ccc(F)cc2s1	ZINC000852080079	FE	On-Demand	Anodyne	CSNK1D	53	52
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1nc2ccc(F)cc2s1	ZINC000852080079	FE	On-Demand	Anodyne	PIK3CA	19	45
O=C(CN[C@H](CCO)C(F)(F)F)Nc1nc2ccc(F)cc2s1	ZINC000852080081	FE	On-Demand	Anodyne	CSNK1D	53	52
O=C(CN[C@H](CCO)C(F)(F)F)Nc1nc2ccc(F)cc2s1	ZINC000852080081	FE	On-Demand	Anodyne	PIK3CA	19	45
O=C(NC1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080112	GD	On-Demand	Anodyne	DRD4	20	47
O=C(NC1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080112	GD	On-Demand	Anodyne	CCR2	41	42
O=C(NC1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080112	GD	On-Demand	Anodyne	SLC6A5	33	41
O=C(NC1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080112	GD	On-Demand	Anodyne	EPHX2	36	41
O=C(NC1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080112	GD	On-Demand	Anodyne	MCHR1	21	44
O=C(NC1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080112	GD	On-Demand	Anodyne	SFRP1	62	38
O=C(NC1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080112	GD	On-Demand	Anodyne	HPGDS	37	46
O=C(NC1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080113	GD	On-Demand	Anodyne	DRD4	20	47
O=C(NC1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080113	GD	On-Demand	Anodyne	CCR2	41	42
O=C(NC1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080113	GD	On-Demand	Anodyne	SLC6A5	33	41
O=C(NC1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080113	GD	On-Demand	Anodyne	EPHX2	36	41
O=C(NC1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080113	GD	On-Demand	Anodyne	MCHR1	21	44
O=C(NC1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080113	GD	On-Demand	Anodyne	SFRP1	62	38
O=C(NC1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1)c1ccccc1	ZINC000852080113	GD	On-Demand	Anodyne	HPGDS	37	46
COC(=O)N(C)CCNC(=O)NCCc1c(OC)cc(OC)cc1OC	ZINC000852080138	FD	On-Demand	Anodyne	MTNR1A	49	39
CCCN(CC(N)=O)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852080147	CB	On-Demand	Anodyne	AMY2	58	42
CCCN(CC(N)=O)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852080148	CB	On-Demand	Anodyne	AMY2	58	42
OCC[C@@H](NCCCCc1ccccc1)C(F)(F)F	ZINC000852080188	CF	On-Demand	Anodyne	CES1	19	41
OCC[C@H](NCCCCc1ccccc1)C(F)(F)F	ZINC000852080189	CF	On-Demand	Anodyne	CES1	19	41
COC1CC(CCNC(=O)NCCc2ccc(Br)cc2F)C1	ZINC000852080294	FG	On-Demand	Anodyne	MTNR1A	25	41
COC(=O)N(C)CCNC(=O)NCC1(N2CCC(OC)CC2)CCCC1	ZINC000852080308	FD	On-Demand	Anodyne	HCN1	59	37
COC(=O)N(C)CCNC(=O)NCC1(N2CCC(OC)CC2)CCCC1	ZINC000852080308	FD	On-Demand	Anodyne	HCN4	56	37
COCCN(CCF)C(=O)NCC1(N2CCC(OC)CC2)CCCC1	ZINC000852080316	FE	On-Demand	Anodyne	HCN1	55	35
COCCN(CCF)C(=O)NCC1(N2CCC(OC)CC2)CCCC1	ZINC000852080316	FE	On-Demand	Anodyne	HCN4	52	34
N#Cc1ccc(C(=O)NNC(=O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852080440	EC	On-Demand	Reactive	CTRB_BOVIN	48	37
N#Cc1ccc(C(=O)NNC(=O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852080445	EC	On-Demand	Reactive	CTRB_BOVIN	48	37
OCC[C@@H](NCCSCc1ccccc1)C(F)(F)F	ZINC000852080520	CF	On-Demand	Anodyne	CACNA2D1	18	41
OCC[C@H](NCCSCc1ccccc1)C(F)(F)F	ZINC000852080521	CF	On-Demand	Anodyne	CACNA2D1	18	41
OCC[C@H](NCc1ccccc1OCc1ccccc1)C(F)(F)F	ZINC000852080523	EH	On-Demand	Anodyne	PTGER1	23	41
OCC[C@@H](NCc1ccccc1OCc1ccccc1)C(F)(F)F	ZINC000852080526	EH	On-Demand	Anodyne	PTGER1	23	41
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	F2	18	40
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	PLG	21	45
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	P2RY12	60	36
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	GRIN2B	51	55
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	ELANE	21	42
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	PREP	28	40
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	LGMN	50	36
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	TGM2	45	46
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	ST14	50	33
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080536	FF	On-Demand	Anodyne	F13A1	47	46
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	F2	18	40
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	PLG	21	45
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	P2RY12	60	36
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	GRIN2B	51	55
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	ELANE	21	42
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	PREP	28	40
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	LGMN	50	36
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	TGM2	45	46
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	ST14	50	33
O=C(OCc1ccccc1)N1CCC(CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080538	FF	On-Demand	Anodyne	F13A1	47	46
O=C(NCc1ccccc1Oc1cccc(F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852080548	GG	On-Demand	Anodyne	HRH3	23	44
O=C(NCc1ccccc1Oc1cccc(F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852080549	GG	On-Demand	Anodyne	HRH3	23	44
CC(C)(C)OC(=O)N1CC[C@@H](CCN[C@@H](CCO)C(F)(F)F)C1	ZINC000852080583	EF	On-Demand	Anodyne	GPR119	26	41
CC(C)(C)OC(=O)N1CC[C@H](CCN[C@H](CCO)C(F)(F)F)C1	ZINC000852080584	EF	On-Demand	Anodyne	GPR119	26	41
CC(C)(C)OC(=O)N1CC[C@H](CCN[C@@H](CCO)C(F)(F)F)C1	ZINC000852080585	EF	On-Demand	Anodyne	GPR119	26	41
CC(C)(C)OC(=O)N1CC[C@@H](CCN[C@H](CCO)C(F)(F)F)C1	ZINC000852080586	EF	On-Demand	Anodyne	GPR119	26	41
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ncc(Cc2ccc(F)cc2)s1	ZINC000852080868	GF	On-Demand	Anodyne	SCD1	40	43
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ncc(Cc2ccc(F)cc2)s1	ZINC000852080868	GF	On-Demand	Anodyne	SCD	34	43
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ncc(Cc2ccc(F)cc2)s1	ZINC000852080869	GF	On-Demand	Anodyne	SCD1	40	43
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ncc(Cc2ccc(F)cc2)s1	ZINC000852080869	GF	On-Demand	Anodyne	SCD	34	43
CCCN(CCC)CCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852080878	EF	On-Demand	Reactive	F10	29	41
Cc1ccccc1CN1CCC(NC(=O)CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080934	GD	On-Demand	Anodyne	DRD4	20	51
Cc1ccccc1CN1CCC(NC(=O)CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080934	GD	On-Demand	Anodyne	SIGMAR1	18	49
Cc1ccccc1CN1CCC(NC(=O)CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080934	GD	On-Demand	Anodyne	CCR3	15	40
Cc1ccccc1CN1CCC(NC(=O)CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080934	GD	On-Demand	Anodyne	CCR2	34	56
Cc1ccccc1CN1CCC(NC(=O)CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080936	GD	On-Demand	Anodyne	DRD4	20	51
Cc1ccccc1CN1CCC(NC(=O)CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080936	GD	On-Demand	Anodyne	SIGMAR1	18	49
Cc1ccccc1CN1CCC(NC(=O)CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080936	GD	On-Demand	Anodyne	CCR3	15	40
Cc1ccccc1CN1CCC(NC(=O)CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080936	GD	On-Demand	Anodyne	CCR2	34	56
CC(C)(C)OC(=O)N1CCC(CCN[C@H](CCO)C(F)(F)F)CC1	ZINC000852080978	FF	On-Demand	Anodyne	GPR119	33	45
CC(C)(C)OC(=O)N1CCC(CCN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852080979	FF	On-Demand	Anodyne	GPR119	33	45
OCC[C@H](NCc1cncn1Cc1ccccc1)C(F)(F)F	ZINC000852081077	DE	On-Demand	Anodyne	CYP11B1	18	56
OCC[C@@H](NCc1cncn1Cc1ccccc1)C(F)(F)F	ZINC000852081078	DE	On-Demand	Anodyne	CYP11B1	18	56
O=C(CN[C@H](CCO)C(F)(F)F)Nc1nc2c(s1)CCC2	ZINC000852081093	DD	On-Demand	Anodyne	SLC27A1	33	43
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1nc2c(s1)CCC2	ZINC000852081094	DD	On-Demand	Anodyne	SLC27A1	33	43
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)cc1	ZINC000852081176	FF	On-Demand	Anodyne	LTA4H	28	43
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)cc1	ZINC000852081176	FF	On-Demand	Anodyne	SIGMAR1	17	41
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)cc1	ZINC000852081176	FF	On-Demand	Anodyne	SSTR5	69	36
CC(=O)Oc1ccc(CN2CC[C@H](Nc3ccc4nc(C)cn4n3)C2)cc1	ZINC000852081176	FF	On-Demand	Anodyne	MCHR1	30	41
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)cc1	ZINC000852081177	FF	On-Demand	Anodyne	LTA4H	28	43
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)cc1	ZINC000852081177	FF	On-Demand	Anodyne	SIGMAR1	17	41
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)cc1	ZINC000852081177	FF	On-Demand	Anodyne	SSTR5	69	36
CC(=O)Oc1ccc(CN2CC[C@@H](Nc3ccc4nc(C)cn4n3)C2)cc1	ZINC000852081177	FF	On-Demand	Anodyne	MCHR1	30	41
OCC[C@@H](NCCCn1ccnc1)C(F)(F)F	ZINC000852081198	CD	On-Demand	Anodyne	TBXAS1	27	44
OCC[C@@H](NCCCn1ccnc1)C(F)(F)F	ZINC000852081198	CD	On-Demand	Anodyne	QPCT	35	41
OCC[C@H](NCCCn1ccnc1)C(F)(F)F	ZINC000852081200	CD	On-Demand	Anodyne	TBXAS1	27	44
OCC[C@H](NCCCn1ccnc1)C(F)(F)F	ZINC000852081200	CD	On-Demand	Anodyne	QPCT	35	41
CCCOc1cccc(CN[C@H](CCO)C(F)(F)F)c1	ZINC000852081201	CF	On-Demand	Anodyne	PDS	58	35
CCCOc1cccc(CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852081202	CF	On-Demand	Anodyne	PDS	58	35
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccnn1CC1CCCCC1	ZINC000852081230	FE	On-Demand	Anodyne	BMP1	49	33
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccnn1CC1CCCCC1	ZINC000852081231	FE	On-Demand	Anodyne	BMP1	49	33
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1nc2c(s1)CCCC2	ZINC000852081243	ED	On-Demand	Anodyne	SLC27A1	34	44
O=C(CN[C@H](CCO)C(F)(F)F)Nc1nc2c(s1)CCCC2	ZINC000852081244	ED	On-Demand	Anodyne	SLC27A1	34	44
COC(=O)c1ccc(CN[C@H](CCO)C(F)(F)F)c(F)c1	ZINC000852081288	DE	On-Demand	Anodyne	BDKRB1	26	41
COC(=O)c1ccc(CN[C@@H](CCO)C(F)(F)F)c(F)c1	ZINC000852081289	DE	On-Demand	Anodyne	BDKRB1	26	41
N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852081310	GD	On-Demand	Mild	PTAFR	37	43
N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852081311	GD	On-Demand	Mild	PTAFR	37	43
N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852081312	GD	On-Demand	Mild	PTAFR	37	43
N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](CCO)C(F)(F)F)CC1	ZINC000852081313	GD	On-Demand	Mild	PTAFR	37	43
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000852081374	FH	On-Demand	Clean	TRPV1	19	40
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000852081374	FH	On-Demand	Clean	NAMPT	52	40
COCCN(CCF)C(=O)NCc1ccccc1Oc1cccc(F)c1	ZINC000852081523	FH	On-Demand	Anodyne	TSPO	55	39
COc1cccc(SCCN[C@H](CCO)C(F)(F)F)c1	ZINC000852081547	DF	On-Demand	Anodyne	MTNR1B	15	54
COc1cccc(SCCN[C@@H](CCO)C(F)(F)F)c1	ZINC000852081548	DF	On-Demand	Anodyne	MTNR1B	15	54
O=S(=O)(NC1CC1)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852081595	FD	On-Demand	Anodyne	SFRP1	51	34
O=S(=O)(NC1CC1)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852081596	FD	On-Demand	Anodyne	SFRP1	51	34
O=C(NCCCc1cccc(Br)c1)NCc1ncccn1	ZINC000852081746	EF	On-Demand	Anodyne	MTNR1A	19	40
O=C(NCCCc1cccc(Br)c1)NCc1ncccn1	ZINC000852081746	EF	On-Demand	Anodyne	MTNR1B	22	40
CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852081762	FF	On-Demand	Anodyne	CPT1A	66	34
CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852081764	FF	On-Demand	Anodyne	CPT1A	66	34
CC(C)(C(=O)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852081777	FF	On-Demand	Reactive	CHRM1	18	41
CC(C)(C(=O)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852081777	FF	On-Demand	Reactive	AMY2	43	29
CC(C)(C(=O)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852081777	FF	On-Demand	Reactive	SLC6A5	22	45
CC(C)(C(=O)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852081778	FF	On-Demand	Reactive	CHRM1	18	41
CC(C)(C(=O)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852081778	FF	On-Demand	Reactive	AMY2	43	29
CC(C)(C(=O)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852081778	FF	On-Demand	Reactive	SLC6A5	22	45
COc1ccccc1NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852081795	DD	On-Demand	Anodyne	KCNK3	40	33
COc1ccccc1NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852081796	DD	On-Demand	Anodyne	KCNK3	40	33
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081799	GG	On-Demand	Anodyne	MAOB	17	42
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081799	GG	On-Demand	Anodyne	LTA4H	48	56
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081799	GG	On-Demand	Anodyne	ADAM17	16	45
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081799	GG	On-Demand	Anodyne	S1PR4	18	40
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081799	GG	On-Demand	Anodyne	GYS1	40	32
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081799	GG	On-Demand	Anodyne	FFAR4	41	34
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081800	GG	On-Demand	Anodyne	MAOB	17	42
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081800	GG	On-Demand	Anodyne	LTA4H	48	56
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081800	GG	On-Demand	Anodyne	ADAM17	16	45
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081800	GG	On-Demand	Anodyne	S1PR4	18	40
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081800	GG	On-Demand	Anodyne	GYS1	40	32
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1	ZINC000852081800	GG	On-Demand	Anodyne	FFAR4	41	34
CC(C)(C)OC(=O)N1CCC(CCCN[C@@H](CCO)C(F)(F)F)CC1	ZINC000852081826	FG	On-Demand	Anodyne	GPR119	31	49
CC(C)(C)OC(=O)N1CCC(CCCN[C@H](CCO)C(F)(F)F)CC1	ZINC000852081828	FG	On-Demand	Anodyne	GPR119	31	49
Cc1ccc(-c2csc(NC(=O)CN[C@@H](CCO)C(F)(F)F)n2)cc1C	ZINC000852081838	GG	On-Demand	Anodyne	MPL	30	43
Cc1ccc(-c2csc(NC(=O)CN[C@H](CCO)C(F)(F)F)n2)cc1C	ZINC000852081842	GG	On-Demand	Anodyne	MPL	30	43
O=[N+]([O-])c1cccc(CN[C@H](CCO)C(F)(F)F)c1Br	ZINC000852081898	FF	On-Demand	Bother	COLA	84	37
O=[N+]([O-])c1cccc(CN[C@@H](CCO)C(F)(F)F)c1Br	ZINC000852081899	FF	On-Demand	Bother	COLA	84	37
CC(C)(C(=O)NNC(=O)N1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852081930	FG	On-Demand	Reactive	TRPM8	40	40
CC(C)(C(=O)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852081931	FG	On-Demand	Reactive	TRPM8	40	40
C[C@@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000852081938	GF	On-Demand	Anodyne	ACACA	22	40
C[C@@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000852081938	GF	On-Demand	Anodyne	ACACB	22	40
C[C@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000852081939	GF	On-Demand	Anodyne	ACACA	22	40
C[C@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000852081939	GF	On-Demand	Anodyne	ACACB	22	40
C[C@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000852081940	GF	On-Demand	Anodyne	ACACA	22	40
C[C@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000852081940	GF	On-Demand	Anodyne	ACACB	22	40
C[C@@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000852081941	GF	On-Demand	Anodyne	ACACA	22	40
C[C@@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000852081941	GF	On-Demand	Anodyne	ACACB	22	40
COc1ccc2c(CN[C@H](CCO)C(F)(F)F)cc(=O)oc2c1	ZINC000852081960	EE	On-Demand	Anodyne	MAOB	33	44
COc1ccc2c(CN[C@@H](CCO)C(F)(F)F)cc(=O)oc2c1	ZINC000852081961	EE	On-Demand	Anodyne	MAOB	33	44
O=C(CN[C@H](CCO)C(F)(F)F)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000852081965	GE	On-Demand	Mild	CCR2	47	36
O=C(CN[C@@H](CCO)C(F)(F)F)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000852081966	GE	On-Demand	Mild	CCR2	47	36
CC[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CC1	ZINC000852081986	DE	On-Demand	Reactive	AMY2	54	32
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081988	GG	On-Demand	Anodyne	RAF1	29	40
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081988	GG	On-Demand	Anodyne	SLC1A1	24	42
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081988	GG	On-Demand	Anodyne	SLC1A3	22	42
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081988	GG	On-Demand	Anodyne	SLC1A2	33	42
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081988	GG	On-Demand	Anodyne	IMDH_CRYPV	19	45
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081989	GG	On-Demand	Anodyne	RAF1	29	40
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081989	GG	On-Demand	Anodyne	SLC1A1	24	42
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081989	GG	On-Demand	Anodyne	SLC1A3	22	42
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081989	GG	On-Demand	Anodyne	SLC1A2	33	42
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852081989	GG	On-Demand	Anodyne	IMDH_CRYPV	19	45
CC(C)(C(=O)NNC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852082017	FD	On-Demand	Reactive	NPY2R	27	40
CC(C)(C(=O)NNC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852082018	FD	On-Demand	Reactive	NPY2R	27	40
OCC[C@H](NC[C@H](O)COc1cccc2[nH]ccc12)C(F)(F)F	ZINC000852082019	ED	On-Demand	Anodyne	ADRB2	19	65
OCC[C@H](NC[C@H](O)COc1cccc2[nH]ccc12)C(F)(F)F	ZINC000852082019	ED	On-Demand	Anodyne	ADRB1	23	65
OCC[C@@H](NC[C@H](O)COc1cccc2[nH]ccc12)C(F)(F)F	ZINC000852082020	ED	On-Demand	Anodyne	ADRB2	19	65
OCC[C@@H](NC[C@H](O)COc1cccc2[nH]ccc12)C(F)(F)F	ZINC000852082020	ED	On-Demand	Anodyne	ADRB1	23	65
OCC[C@@H](NC[C@@H](O)COc1cccc2[nH]ccc12)C(F)(F)F	ZINC000852082021	ED	On-Demand	Anodyne	ADRB2	19	65
OCC[C@@H](NC[C@@H](O)COc1cccc2[nH]ccc12)C(F)(F)F	ZINC000852082021	ED	On-Demand	Anodyne	ADRB1	23	65
OCC[C@H](NC[C@@H](O)COc1cccc2[nH]ccc12)C(F)(F)F	ZINC000852082022	ED	On-Demand	Anodyne	ADRB2	19	65
OCC[C@H](NC[C@@H](O)COc1cccc2[nH]ccc12)C(F)(F)F	ZINC000852082022	ED	On-Demand	Anodyne	ADRB1	23	65
COc1ccc(-c2csc(NC(=O)CN[C@H](CCO)C(F)(F)F)n2)cc1	ZINC000852082025	GF	On-Demand	Anodyne	ROCK1	22	41
COc1ccc(-c2csc(NC(=O)CN[C@H](CCO)C(F)(F)F)n2)cc1	ZINC000852082025	GF	On-Demand	Anodyne	ROCK2	15	41
CSc1ccc(OC[C@@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082100	EE	On-Demand	Anodyne	ADRB2	23	44
CSc1ccc(OC[C@@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082100	EE	On-Demand	Anodyne	ADRB1	25	42
CSc1ccc(OC[C@@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082101	EE	On-Demand	Anodyne	ADRB2	23	44
CSc1ccc(OC[C@@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082101	EE	On-Demand	Anodyne	ADRB1	25	42
CSc1ccc(OC[C@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082102	EE	On-Demand	Anodyne	ADRB2	23	44
CSc1ccc(OC[C@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082102	EE	On-Demand	Anodyne	ADRB1	25	42
CSc1ccc(OC[C@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082103	EE	On-Demand	Anodyne	ADRB2	23	44
CSc1ccc(OC[C@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082103	EE	On-Demand	Anodyne	ADRB1	25	42
COc1ccc(-c2csc(NC(=O)CN[C@@H](CCO)C(F)(F)F)n2)cc1	ZINC000852082126	GF	On-Demand	Anodyne	ROCK1	22	41
COc1ccc(-c2csc(NC(=O)CN[C@@H](CCO)C(F)(F)F)n2)cc1	ZINC000852082126	GF	On-Demand	Anodyne	ROCK2	15	41
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852082140	GD	On-Demand	Bother	SLC6A9	15	43
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852082140	GD	On-Demand	Bother	SSTR1	46	48
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852082141	GD	On-Demand	Bother	SLC6A9	15	43
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852082141	GD	On-Demand	Bother	SSTR1	46	48
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852082148	FD	On-Demand	Anodyne	NPY2R	51	36
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852082149	FD	On-Demand	Anodyne	NPY2R	51	36
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852082159	GC	On-Demand	Anodyne	CA2	15	58
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852082159	GC	On-Demand	Anodyne	CA7	26	58
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852082159	GC	On-Demand	Anodyne	EIF2AK3	50	34
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852082160	GC	On-Demand	Anodyne	CA2	15	58
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852082160	GC	On-Demand	Anodyne	CA7	26	58
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852082160	GC	On-Demand	Anodyne	EIF2AK3	50	34
O=C(CN[C@H](CCO)C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F	ZINC000852082175	GE	On-Demand	Mild	P2RX7	37	49
O=C(CN[C@@H](CCO)C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F	ZINC000852082176	GE	On-Demand	Mild	P2RX7	37	49
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2(C)CCCC2)O1	ZINC000852082181	GE	On-Demand	Reactive	NPFFR1	41	36
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2(C)CCCC2)O1	ZINC000852082181	GE	On-Demand	Reactive	HCN1	50	31
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2(C)CCCC2)O1	ZINC000852082181	GE	On-Demand	Reactive	HCN4	47	31
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccnc1Cl	ZINC000852082199	DD	On-Demand	Anodyne	G2YM83_BOTF4	56	32
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccnc1Cl	ZINC000852082200	DD	On-Demand	Anodyne	G2YM83_BOTF4	56	32
CC(C)(C(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1)c1ccccc1	ZINC000852082203	EE	On-Demand	Reactive	CHRM1	15	40
CC(C)(C(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1)c1ccccc1	ZINC000852082203	EE	On-Demand	Reactive	CHRM3	29	40
CC(C)(C(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1)c1ccccc1	ZINC000852082204	EE	On-Demand	Reactive	CHRM1	15	40
CC(C)(C(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1)c1ccccc1	ZINC000852082204	EE	On-Demand	Reactive	CHRM3	29	40
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852082210	GC	On-Demand	Anodyne	NOD2	18	40
C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852082211	GC	On-Demand	Anodyne	NOD2	18	40
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852082212	GC	On-Demand	Anodyne	NOD2	18	40
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852082213	GC	On-Demand	Anodyne	NOD2	18	40
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000852082226	GH	On-Demand	Anodyne	TACR2	15	42
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000852082226	GH	On-Demand	Anodyne	KCNA5	15	40
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000852082227	GH	On-Demand	Anodyne	TACR2	15	42
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000852082227	GH	On-Demand	Anodyne	KCNA5	15	40
O=C(CN[C@H](CCO)C(F)(F)F)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000852082228	GH	On-Demand	Anodyne	TACR2	15	42
O=C(CN[C@H](CCO)C(F)(F)F)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000852082228	GH	On-Demand	Anodyne	KCNA5	15	40
O=C(CN[C@H](CCO)C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000852082229	GH	On-Demand	Anodyne	TACR2	15	42
O=C(CN[C@H](CCO)C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000852082229	GH	On-Demand	Anodyne	KCNA5	15	40
O=C(Nc1ccccc1)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082257	FG	On-Demand	Anodyne	PRNP	39	40
O=C(Nc1ccccc1)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082257	FG	On-Demand	Anodyne	HDAC1	26	40
O=C(Nc1ccccc1)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082257	FG	On-Demand	Anodyne	HDAC2	25	44
O=C(Nc1ccccc1)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082257	FG	On-Demand	Anodyne	NOD2	40	36
O=C(Nc1ccccc1)c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082257	FG	On-Demand	Anodyne	KCNK3	65	40
O=C(Nc1ccccc1)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082258	FG	On-Demand	Anodyne	PRNP	39	40
O=C(Nc1ccccc1)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082258	FG	On-Demand	Anodyne	HDAC1	26	40
O=C(Nc1ccccc1)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082258	FG	On-Demand	Anodyne	HDAC2	25	44
O=C(Nc1ccccc1)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082258	FG	On-Demand	Anodyne	NOD2	40	36
O=C(Nc1ccccc1)c1ccc(CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082258	FG	On-Demand	Anodyne	KCNK3	65	40
CC(C)(C(=O)NNC(=O)N[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852082292	DD	On-Demand	Reactive	AMY2	46	31
CC(C)(C(=O)NNC(=O)N[C@H](CO)C1CCC1)c1ccccc1	ZINC000852082293	DD	On-Demand	Reactive	AMY2	46	31
CC(C)(C(=O)NNC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccccc1	ZINC000852082299	GE	On-Demand	Reactive	NPY2R	27	42
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852082303	GF	On-Demand	Reactive	DRD2	18	47
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852082303	GF	On-Demand	Reactive	SIGMAR1	24	43
CC(C)(C(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852082305	GF	On-Demand	Reactive	DRD2	18	47
CC(C)(C(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852082305	GF	On-Demand	Reactive	SIGMAR1	24	43
CC(C)(C(=O)NNC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852082324	GE	On-Demand	Reactive	SCN2A	18	43
CC(C)(C(=O)NNC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852082324	GE	On-Demand	Reactive	SCN10A	23	43
CC(C)(C(=O)NNC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1	ZINC000852082381	EF	On-Demand	Reactive	RBP4	49	34
CC(C)(C(=O)NNC(=O)N1CCC[C@H](CCF)C1)c1ccccc1	ZINC000852082383	EF	On-Demand	Reactive	RBP4	49	34
CC(C)(C(=O)NNC(=O)NCCO[C@@H]1CC1(F)F)c1ccccc1	ZINC000852082393	ED	On-Demand	Reactive	AMY2	55	32
CC(C)(C(=O)NNC(=O)NCCO[C@H]1CC1(F)F)c1ccccc1	ZINC000852082395	ED	On-Demand	Reactive	AMY2	55	32
OCC[C@H](NCc1ccc(CN2CCCCC2)cc1)C(F)(F)F	ZINC000852082409	EG	On-Demand	Anodyne	HRH3	20	48
OCC[C@@H](NCc1ccc(CN2CCCCC2)cc1)C(F)(F)F	ZINC000852082410	EG	On-Demand	Anodyne	HRH3	20	48
COC(=O)N(C)CCNC(=O)NCCCc1cccc(Br)c1	ZINC000852082464	FE	On-Demand	Anodyne	MTNR1A	28	45
COC(=O)N(C)CCNC(=O)NCCCc1cccc(Br)c1	ZINC000852082464	FE	On-Demand	Anodyne	MTNR1B	26	45
COC(=O)N(C)CCNC(=O)NCCCc1cccc(Br)c1	ZINC000852082464	FE	On-Demand	Anodyne	CRTM	43	36
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	ZINC000852082541	DG	On-Demand	Reactive	CAPN2	43	30
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)C(C)(C)c1ccccc1	ZINC000852082541	DG	On-Demand	Reactive	ACE2	43	33
COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852082563	GG	On-Demand	Anodyne	CPT1A	88	39
COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852082565	GG	On-Demand	Anodyne	CPT1A	88	39
O=C(NCCCc1cccc(Br)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852082575	GF	On-Demand	Anodyne	LUXR	19	42
O=C(NCCCc1cccc(Br)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852082576	GF	On-Demand	Anodyne	LUXR	19	42
COC(=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)c2ccccc2)c(F)c1	ZINC000852082585	GE	On-Demand	Reactive	BDKRB1	27	43
COCCN(CCF)C(=O)NNC(=O)C(C)(C)c1ccccc1	ZINC000852082615	ED	On-Demand	Reactive	AMY2	53	34
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1	ZINC000852082653	DE	On-Demand	Reactive	CHRM2	18	44
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1	ZINC000852082653	DE	On-Demand	Reactive	CHRM3	30	44
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1	ZINC000852082653	DE	On-Demand	Reactive	NPY2R	49	42
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1	ZINC000852082653	DE	On-Demand	Reactive	RBP4	71	37
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1	ZINC000852082654	DE	On-Demand	Reactive	CHRM2	18	44
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1	ZINC000852082654	DE	On-Demand	Reactive	CHRM3	30	44
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1	ZINC000852082654	DE	On-Demand	Reactive	NPY2R	49	42
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1	ZINC000852082654	DE	On-Demand	Reactive	RBP4	71	37
CC(C)(C(=O)NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1	ZINC000852082655	DE	On-Demand	Reactive	CHRM2	18	44
CC(C)(C(=O)NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1	ZINC000852082655	DE	On-Demand	Reactive	CHRM3	30	44
CC(C)(C(=O)NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1	ZINC000852082655	DE	On-Demand	Reactive	NPY2R	49	42
CC(C)(C(=O)NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1	ZINC000852082655	DE	On-Demand	Reactive	RBP4	71	37
CC(C)(C(=O)NNC(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1	ZINC000852082656	DE	On-Demand	Reactive	CHRM2	18	44
CC(C)(C(=O)NNC(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1	ZINC000852082656	DE	On-Demand	Reactive	CHRM3	30	44
CC(C)(C(=O)NNC(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1	ZINC000852082656	DE	On-Demand	Reactive	NPY2R	49	42
CC(C)(C(=O)NNC(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1	ZINC000852082656	DE	On-Demand	Reactive	RBP4	71	37
CC(C)(C(=O)NNC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852082669	FE	On-Demand	Reactive	AMY2	45	30
COC[C@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CCOCC1	ZINC000852082685	FD	On-Demand	Reactive	AMY2	45	30
COC[C@@H](NC(=O)NNC(=O)C(C)(C)c1ccccc1)C1CCOCC1	ZINC000852082686	FD	On-Demand	Reactive	AMY2	45	30
O=C(CN[C@H](CCO)C(F)(F)F)N1CCc2sccc2[C@@H]1c1ccccc1	ZINC000852082687	GG	On-Demand	Anodyne	TRPM8	40	52
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCc2sccc2[C@H]1c1ccccc1	ZINC000852082688	GG	On-Demand	Anodyne	TRPM8	40	52
O=C(CN[C@H](CCO)C(F)(F)F)N1CCc2sccc2[C@H]1c1ccccc1	ZINC000852082689	GG	On-Demand	Anodyne	TRPM8	40	52
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCc2sccc2[C@@H]1c1ccccc1	ZINC000852082690	GG	On-Demand	Anodyne	TRPM8	40	52
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852082694	GF	On-Demand	Anodyne	KCNK3	64	41
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852082694	GF	On-Demand	Anodyne	KCNK9	54	34
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852082695	GF	On-Demand	Anodyne	KCNK3	64	41
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852082695	GF	On-Demand	Anodyne	KCNK9	54	34
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852082702	FE	On-Demand	Reactive	CHRM4	21	54
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852082702	FE	On-Demand	Reactive	CHRM3	24	54
CC(C)(C(=O)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852082702	FE	On-Demand	Reactive	CCR3	44	37
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852082703	FE	On-Demand	Reactive	CHRM4	21	54
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852082703	FE	On-Demand	Reactive	CHRM3	24	54
CC(C)(C(=O)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852082703	FE	On-Demand	Reactive	CCR3	44	37
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	CHRM1	17	44
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	ACHE	22	43
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	HRH1	21	40
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	HTR4	55	38
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	CHRM3	36	44
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	SIGMAR1	22	45
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	NPY2R	23	43
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	CCR3	31	40
CC(C)(C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852082704	FE	On-Demand	Reactive	CACNA1I	70	43
CC(C)(C(=O)NNC(=O)NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000852082718	FE	On-Demand	Reactive	CTRB_BOVIN	50	39
O=C(CN[C@H](CCO)C(F)(F)F)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852082723	GF	On-Demand	Anodyne	MPL	40	36
O=C(CN[C@H](CCO)C(F)(F)F)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852082723	GF	On-Demand	Anodyne	ROCK1	21	46
O=C(CN[C@H](CCO)C(F)(F)F)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852082723	GF	On-Demand	Anodyne	HDAC9	15	53
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852082724	GF	On-Demand	Anodyne	MPL	40	36
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852082724	GF	On-Demand	Anodyne	ROCK1	21	46
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852082724	GF	On-Demand	Anodyne	HDAC9	15	53
CC(C)(C(=O)NNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1ccccc1	ZINC000852082749	FF	On-Demand	Reactive	NPY2R	42	39
CC(C)(C(=O)NNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1ccccc1	ZINC000852082749	FF	On-Demand	Reactive	AMY2	45	31
CC(C)(C(=O)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1ccccc1	ZINC000852082750	FF	On-Demand	Reactive	NPY2R	42	39
CC(C)(C(=O)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1ccccc1	ZINC000852082750	FF	On-Demand	Reactive	AMY2	45	31
O=C(CN[C@H](CCO)C(F)(F)F)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852082755	GF	On-Demand	Anodyne	MPL	47	44
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852082756	GF	On-Demand	Anodyne	MPL	47	44
CC(C)(C(=O)NNC(=O)NCc1cccc(OC2CC2)c1F)c1ccccc1	ZINC000852082757	GG	On-Demand	Reactive	CHRM3	16	41
CC(C)(C(=O)NNC(=O)NCCCC1CCC1)c1ccccc1	ZINC000852082773	DF	On-Demand	Reactive	AMY2	47	34
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCc2[nH]c3ccccc3c2C1	ZINC000852082784	FD	On-Demand	Anodyne	SSTR4	53	37
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCc2[nH]c3ccccc3c2C1	ZINC000852082784	FD	On-Demand	Anodyne	SSTR5	43	37
O=C(CN[C@H](CCO)C(F)(F)F)N1CCc2[nH]c3ccccc3c2C1	ZINC000852082785	FD	On-Demand	Anodyne	SSTR4	53	37
O=C(CN[C@H](CCO)C(F)(F)F)N1CCc2[nH]c3ccccc3c2C1	ZINC000852082785	FD	On-Demand	Anodyne	SSTR5	43	37
CC(C)(C(=O)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1	ZINC000852082788	DE	On-Demand	Reactive	RBP4	46	32
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852082812	FF	On-Demand	Anodyne	UTS2	45	36
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852082813	FF	On-Demand	Anodyne	UTS2	45	36
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852082814	FF	On-Demand	Anodyne	UTS2	45	36
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852082815	FF	On-Demand	Anodyne	UTS2	45	36
CNC(=O)[C@@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccccc1	ZINC000852082819	EC	On-Demand	Anodyne	MMP3	15	46
CNC(=O)[C@@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccccc1	ZINC000852082819	EC	On-Demand	Anodyne	MTTP	49	38
CNC(=O)[C@@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccccc1	ZINC000852082822	EC	On-Demand	Anodyne	MMP3	15	46
CNC(=O)[C@@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccccc1	ZINC000852082822	EC	On-Demand	Anodyne	MTTP	49	38
CCOC(=O)Nc1ccc2c(CN[C@@H](CCO)C(F)(F)F)cc(=O)oc2c1	ZINC000852082865	GF	On-Demand	Anodyne	MMP12	19	41
CCOC(=O)Nc1ccc2c(CN[C@H](CCO)C(F)(F)F)cc(=O)oc2c1	ZINC000852082866	GF	On-Demand	Anodyne	MMP12	19	41
CC(C)(C(=O)NNC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852082886	FD	On-Demand	Reactive	WNT3	41	32
CC(C)(C(=O)NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852082899	ED	On-Demand	Reactive	CHRM1	15	43
CC(C)(C(=O)NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852082899	ED	On-Demand	Reactive	CHRM3	21	43
CC(C)(C(=O)NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852082899	ED	On-Demand	Reactive	NPY2R	48	40
CC(C)(C(=O)NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852082899	ED	On-Demand	Reactive	RBP4	49	32
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852082900	ED	On-Demand	Reactive	CHRM1	15	43
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852082900	ED	On-Demand	Reactive	CHRM3	21	43
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852082900	ED	On-Demand	Reactive	NPY2R	48	40
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852082900	ED	On-Demand	Reactive	RBP4	49	32
CC(C)(C(=O)NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1ccccc1	ZINC000852082901	ED	On-Demand	Reactive	CHRM1	15	43
CC(C)(C(=O)NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1ccccc1	ZINC000852082901	ED	On-Demand	Reactive	CHRM3	21	43
CC(C)(C(=O)NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1ccccc1	ZINC000852082901	ED	On-Demand	Reactive	NPY2R	48	40
CC(C)(C(=O)NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1ccccc1	ZINC000852082901	ED	On-Demand	Reactive	RBP4	49	32
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1ccccc1	ZINC000852082902	ED	On-Demand	Reactive	CHRM1	15	43
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1ccccc1	ZINC000852082902	ED	On-Demand	Reactive	CHRM3	21	43
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1ccccc1	ZINC000852082902	ED	On-Demand	Reactive	NPY2R	48	40
CC(C)(C(=O)NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1ccccc1	ZINC000852082902	ED	On-Demand	Reactive	RBP4	49	32
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C(C)(C)c3ccccc3)C2)cc1	ZINC000852082903	GF	On-Demand	Reactive	NPY2R	18	40
Cc1ccc(C[C@@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)c(C)c1	ZINC000852082920	FF	On-Demand	Anodyne	CALCRL	45	36
COCCN(CCF)C(=O)NCCCc1cccc(Br)c1	ZINC000852082921	FG	On-Demand	Anodyne	MTNR1B	15	43
COCCN(CCF)C(=O)NCCCc1cccc(Br)c1	ZINC000852082921	FG	On-Demand	Anodyne	CRTM	49	38
Cc1ccc(-c2csc(NC(=O)CN[C@H](CCO)C(F)(F)F)n2)cc1	ZINC000852082929	FF	On-Demand	Anodyne	HDAC9	15	53
Cc1ccc(-c2csc(NC(=O)CN[C@@H](CCO)C(F)(F)F)n2)cc1	ZINC000852082930	FF	On-Demand	Anodyne	HDAC9	15	53
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852082931	EF	On-Demand	Anodyne	KCNJ11	43	33
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852082931	EF	On-Demand	Anodyne	SLC1A2	38	41
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852082931	EF	On-Demand	Anodyne	IMDH_CRYPV	22	40
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852082932	EF	On-Demand	Anodyne	KCNJ11	43	33
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852082932	EF	On-Demand	Anodyne	SLC1A2	38	41
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852082932	EF	On-Demand	Anodyne	IMDH_CRYPV	22	40
CN(Cc1cnc[nH]1)C(=O)NNC(=O)C(C)(C)c1ccccc1	ZINC000852082965	DD	On-Demand	Reactive	TAAR1	24	43
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	ZINC000852082971	GE	On-Demand	Reactive	AMY2	45	31
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)C(C)(C)c1ccccc1	ZINC000852082972	GE	On-Demand	Reactive	AMY2	45	31
O=C(CN[C@@H](CCO)C(F)(F)F)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852082980	GD	On-Demand	Anodyne	EPHX2	70	45
O=C(CN[C@H](CCO)C(F)(F)F)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852082981	GD	On-Demand	Anodyne	EPHX2	70	45
CCC[C@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccccc1	ZINC000852083028	EF	On-Demand	Anodyne	TACR3	28	42
CCC[C@@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccccc1	ZINC000852083029	EF	On-Demand	Anodyne	TACR3	28	42
CCC[C@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccccc1	ZINC000852083030	EF	On-Demand	Anodyne	TACR3	28	42
CCC[C@@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccccc1	ZINC000852083031	EF	On-Demand	Anodyne	TACR3	28	42
COc1ccc(CN(C)C(=O)CN[C@@H](CCO)C(F)(F)F)cc1OC	ZINC000852083049	FD	On-Demand	Anodyne	MT-ND1	18	43
COc1ccc(CN(C)C(=O)CN[C@H](CCO)C(F)(F)F)cc1OC	ZINC000852083050	FD	On-Demand	Anodyne	MT-ND1	18	43
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852083105	GD	On-Demand	Anodyne	DRD4	30	43
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852083105	GD	On-Demand	Anodyne	CHRM3	15	45
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852083105	GD	On-Demand	Anodyne	SIGMAR1	17	48
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852083105	GD	On-Demand	Anodyne	FAAH	28	52
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852083106	GD	On-Demand	Anodyne	DRD4	30	43
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852083106	GD	On-Demand	Anodyne	CHRM3	15	45
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852083106	GD	On-Demand	Anodyne	SIGMAR1	17	48
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852083106	GD	On-Demand	Anodyne	FAAH	28	52
CC(=O)Nc1ccc(S(=O)(=O)CCCN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083122	GD	On-Demand	Anodyne	IDO1	32	42
CC(=O)Nc1ccc(S(=O)(=O)CCCN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083122	GD	On-Demand	Anodyne	P96878_MYCTU	42	37
CC(=O)Nc1ccc(S(=O)(=O)CCCN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083123	GD	On-Demand	Anodyne	IDO1	32	42
CC(=O)Nc1ccc(S(=O)(=O)CCCN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083123	GD	On-Demand	Anodyne	P96878_MYCTU	42	37
OCC[C@@H](NCc1nc(-c2ccccn2)no1)C(F)(F)F	ZINC000852083182	DD	On-Demand	Anodyne	LUCI_PHOPE	25	42
OCC[C@H](NCc1nc(-c2ccccn2)no1)C(F)(F)F	ZINC000852083183	DD	On-Demand	Anodyne	LUCI_PHOPE	25	42
CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852083189	EF	On-Demand	Anodyne	PREP	18	40
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852083191	EF	On-Demand	Anodyne	PREP	18	40
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852083193	EF	On-Demand	Anodyne	PREP	18	40
CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852083195	EF	On-Demand	Anodyne	PREP	18	40
FCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083200	BE	On-Demand	Anodyne	SLC6A1	56	33
FCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083202	BE	On-Demand	Anodyne	SLC6A1	56	33
CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852083237	GG	On-Demand	Anodyne	GPR119	38	45
CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852083238	GG	On-Demand	Anodyne	GPR119	38	45
CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852083239	GG	On-Demand	Anodyne	GPR119	38	45
CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852083240	GG	On-Demand	Anodyne	GPR119	38	45
CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852083245	GD	On-Demand	Reactive	SFRP1	59	33
CC(C)(C)C(=O)NNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852083245	GD	On-Demand	Reactive	WNT3	64	33
CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852083246	GD	On-Demand	Reactive	SFRP1	59	33
CC(C)(C)C(=O)NNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852083246	GD	On-Demand	Reactive	WNT3	64	33
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	HTR1A	40	40
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	DRD2	38	50
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	DRD4	21	48
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	HRH2	20	42
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	ADRA1D	32	43
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	SLC6A1	92	35
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	ADRA1A	42	51
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	ADRA1B	21	51
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	DRD3	53	39
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	HNMT	40	34
CC(C)(C)OC(=O)NCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083260	DG	On-Demand	Anodyne	BIRC2	24	40
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	HTR1A	40	40
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	DRD2	38	50
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	DRD4	21	48
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	HRH2	20	42
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	ADRA1D	32	43
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	SLC6A1	92	35
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	ADRA1A	42	51
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	ADRA1B	21	51
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	DRD3	53	39
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	HNMT	40	34
CC(C)(C)OC(=O)NCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083261	DG	On-Demand	Anodyne	BIRC2	24	40
O=C(NCCCN1CCC[C@@H](c2ccccn2)C1)C(F)(F)F	ZINC000852083270	DE	On-Demand	Anodyne	DRD4	15	45
O=C(NCCCN1CCC[C@@H](c2ccccn2)C1)C(F)(F)F	ZINC000852083270	DE	On-Demand	Anodyne	ADRA1D	19	44
O=C(NCCCN1CCC[C@@H](c2ccccn2)C1)C(F)(F)F	ZINC000852083270	DE	On-Demand	Anodyne	SLC6A1	95	36
O=C(NCCCN1CCC[C@@H](c2ccccn2)C1)C(F)(F)F	ZINC000852083270	DE	On-Demand	Anodyne	ADRA1A	24	52
O=C(NCCCN1CCC[C@H](c2ccccn2)C1)C(F)(F)F	ZINC000852083271	DE	On-Demand	Anodyne	DRD4	15	45
O=C(NCCCN1CCC[C@H](c2ccccn2)C1)C(F)(F)F	ZINC000852083271	DE	On-Demand	Anodyne	ADRA1D	19	44
O=C(NCCCN1CCC[C@H](c2ccccn2)C1)C(F)(F)F	ZINC000852083271	DE	On-Demand	Anodyne	SLC6A1	95	36
O=C(NCCCN1CCC[C@H](c2ccccn2)C1)C(F)(F)F	ZINC000852083271	DE	On-Demand	Anodyne	ADRA1A	24	52
O=S(=O)(CCN1CCC[C@@H](c2ccccn2)C1)Cc1ccccc1	ZINC000852083302	EF	On-Demand	Anodyne	SLC6A1	56	35
O=S(=O)(CCN1CCC[C@@H](c2ccccn2)C1)Cc1ccccc1	ZINC000852083302	EF	On-Demand	Anodyne	SIGMAR1	16	40
O=S(=O)(CCN1CCC[C@H](c2ccccn2)C1)Cc1ccccc1	ZINC000852083303	EF	On-Demand	Anodyne	SLC6A1	56	35
O=S(=O)(CCN1CCC[C@H](c2ccccn2)C1)Cc1ccccc1	ZINC000852083303	EF	On-Demand	Anodyne	SIGMAR1	16	40
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852083332	FE	On-Demand	Reactive	AMY2	42	29
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852083332	FE	On-Demand	Reactive	SSTR3	32	46
O[C@H](CN1CCC[C@H](c2ccccn2)C1)c1cccnc1	ZINC000852083363	CE	On-Demand	Anodyne	ADRB3	22	40
O[C@H](CN1CCC[C@@H](c2ccccn2)C1)c1cccnc1	ZINC000852083364	CE	On-Demand	Anodyne	ADRB3	22	40
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1cccnc1	ZINC000852083365	CE	On-Demand	Anodyne	ADRB3	22	40
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1cccnc1	ZINC000852083366	CE	On-Demand	Anodyne	ADRB3	22	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1	ZINC000852083393	DD	On-Demand	Reactive	RBP4	57	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1	ZINC000852083393	DD	On-Demand	Reactive	SFRP1	82	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1	ZINC000852083393	DD	On-Demand	Reactive	WNT3	62	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1	ZINC000852083394	DD	On-Demand	Reactive	RBP4	57	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1	ZINC000852083394	DD	On-Demand	Reactive	SFRP1	82	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C(C)(C)C)C1	ZINC000852083394	DD	On-Demand	Reactive	WNT3	62	36
NC(=O)[C@](O)(CN1CCC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852083397	ED	On-Demand	Anodyne	MAP3K12	30	40
NC(=O)[C@@](O)(CN1CCC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852083398	ED	On-Demand	Anodyne	MAP3K12	30	40
NC(=O)[C@@](O)(CN1CCC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852083399	ED	On-Demand	Anodyne	MAP3K12	30	40
NC(=O)[C@](O)(CN1CCC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852083400	ED	On-Demand	Anodyne	MAP3K12	30	40
OCC[C@@H](NCCCc1ccc(C(F)(F)F)cc1)C(F)(F)F	ZINC000852083428	EH	On-Demand	Anodyne	CRTM	15	47
OCC[C@H](NCCCc1ccc(C(F)(F)F)cc1)C(F)(F)F	ZINC000852083429	EH	On-Demand	Anodyne	CRTM	15	47
CC[C@@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852083443	FF	On-Demand	Anodyne	UTS2	47	38
CC[C@@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852083444	FF	On-Demand	Anodyne	UTS2	47	38
CC[C@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852083445	FF	On-Demand	Anodyne	UTS2	47	38
CC[C@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852083446	FF	On-Demand	Anodyne	UTS2	47	38
O=C(CN[C@H](CCO)C(F)(F)F)NCC1(c2ccccc2)CC1	ZINC000852083480	ED	On-Demand	Anodyne	KCNA3	41	35
O=C(CN[C@@H](CCO)C(F)(F)F)NCC1(c2ccccc2)CC1	ZINC000852083481	ED	On-Demand	Anodyne	KCNA3	41	35
O=C(CCN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083508	DG	On-Demand	Anodyne	FKBP1A	42	38
O=C(CCN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083508	DG	On-Demand	Anodyne	DRD4	16	53
O=C(CCN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083508	DG	On-Demand	Anodyne	SLC6A1	116	39
O=C(CCN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083508	DG	On-Demand	Anodyne	GRIN2B	23	43
O=C(CCN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083508	DG	On-Demand	Anodyne	SIGMAR1	17	42
O=C(CCN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083508	DG	On-Demand	Anodyne	PREP	60	39
O=C(CCN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083508	DG	On-Demand	Anodyne	SLC12A5	46	35
O=C(CCN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083509	DG	On-Demand	Anodyne	FKBP1A	42	38
O=C(CCN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083509	DG	On-Demand	Anodyne	DRD4	16	53
O=C(CCN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083509	DG	On-Demand	Anodyne	SLC6A1	116	39
O=C(CCN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083509	DG	On-Demand	Anodyne	GRIN2B	23	43
O=C(CCN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083509	DG	On-Demand	Anodyne	SIGMAR1	17	42
O=C(CCN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083509	DG	On-Demand	Anodyne	PREP	60	39
O=C(CCN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852083509	DG	On-Demand	Anodyne	SLC12A5	46	35
CON(C)C(=O)CCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083515	CD	On-Demand	Anodyne	DRD4	22	58
CON(C)C(=O)CCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083515	CD	On-Demand	Anodyne	SLC6A1	106	35
CON(C)C(=O)CCN1CCC[C@H](c2ccccn2)C1	ZINC000852083517	CD	On-Demand	Anodyne	DRD4	22	58
CON(C)C(=O)CCN1CCC[C@H](c2ccccn2)C1	ZINC000852083517	CD	On-Demand	Anodyne	SLC6A1	106	35
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083522	FF	On-Demand	Anodyne	SLC6A1	47	37
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083522	FF	On-Demand	Anodyne	HRH3	45	43
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083523	FF	On-Demand	Anodyne	SLC6A1	47	37
O=C1c2ccccc2C(=O)N1OCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083523	FF	On-Demand	Anodyne	HRH3	45	43
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852083524	EF	On-Demand	Anodyne	REN	53	38
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852083525	EF	On-Demand	Anodyne	REN	53	38
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852083526	EF	On-Demand	Anodyne	REN	53	38
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852083527	EF	On-Demand	Anodyne	REN	53	38
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852083590	FH	On-Demand	Anodyne	SLC6A1	53	31
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852083590	FH	On-Demand	Anodyne	GPR119	47	50
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852083591	FH	On-Demand	Anodyne	SLC6A1	53	31
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852083591	FH	On-Demand	Anodyne	GPR119	47	50
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852083592	FH	On-Demand	Anodyne	SLC6A1	53	31
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852083592	FH	On-Demand	Anodyne	GPR119	47	50
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852083593	FH	On-Demand	Anodyne	SLC6A1	53	31
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852083593	FH	On-Demand	Anodyne	GPR119	47	50
CC(C)(C)C(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852083601	DD	On-Demand	Reactive	TRPV1	21	41
CC(C)(C)C(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852083601	DD	On-Demand	Reactive	SCN2A	20	48
CC(C)(C)C(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852083601	DD	On-Demand	Reactive	SCN10A	25	48
CC(C)(C)C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852083604	ED	On-Demand	Reactive	DRD4	18	44
CC(C)(C)C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852083604	ED	On-Demand	Reactive	ACHE	45	49
CC(C)(C)C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852083604	ED	On-Demand	Reactive	HTR4	46	42
CC(C)(C)C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852083604	ED	On-Demand	Reactive	GRIN2B	18	40
CC(C)(C)C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852083604	ED	On-Demand	Reactive	SIGMAR1	30	45
CC(C)(C)C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852083604	ED	On-Demand	Reactive	SSTR5	56	37
CC(C)(C)C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852083604	ED	On-Demand	Reactive	CCR3	27	42
CC(C)(C)C(=O)NNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852083604	ED	On-Demand	Reactive	CACNA1I	82	44
CC(C)(C)C(=O)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852083615	EF	On-Demand	Reactive	KCNH2	43	42
CC(C)(C)C(=O)NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852083615	EF	On-Demand	Reactive	GLRA1	45	35
O=C(c1cccc(CN2CCC[C@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083633	EI	On-Demand	Anodyne	DRD4	26	42
O=C(c1cccc(CN2CCC[C@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083633	EI	On-Demand	Anodyne	ACHE	17	43
O=C(c1cccc(CN2CCC[C@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083633	EI	On-Demand	Anodyne	SLC6A1	46	37
O=C(c1cccc(CN2CCC[C@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083633	EI	On-Demand	Anodyne	SIGMAR1	19	40
O=C(c1cccc(CN2CCC[C@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083633	EI	On-Demand	Anodyne	CCR2	20	41
O=C(c1cccc(CN2CCC[C@@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083634	EI	On-Demand	Anodyne	DRD4	26	42
O=C(c1cccc(CN2CCC[C@@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083634	EI	On-Demand	Anodyne	ACHE	17	43
O=C(c1cccc(CN2CCC[C@@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083634	EI	On-Demand	Anodyne	SLC6A1	46	37
O=C(c1cccc(CN2CCC[C@@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083634	EI	On-Demand	Anodyne	SIGMAR1	19	40
O=C(c1cccc(CN2CCC[C@@H](c3ccccn3)C2)c1)C(F)(F)F	ZINC000852083634	EI	On-Demand	Anodyne	CCR2	20	41
COC(=O)c1ccc(CNC(=O)NNC(=O)C(C)(C)C)c(F)c1	ZINC000852083635	ED	On-Demand	Reactive	BDKRB1	28	45
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852083652	EF	On-Demand	Anodyne	DRD4	15	53
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852083652	EF	On-Demand	Anodyne	CHRNA7	15	41
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852083653	EF	On-Demand	Anodyne	DRD4	15	53
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(Cl)nc1	ZINC000852083653	EF	On-Demand	Anodyne	CHRNA7	15	41
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	HTR1A	45	41
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	DRD2	43	51
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	DRD4	21	48
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	HRH2	15	41
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	ADRA1D	22	41
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	HTR2A	19	40
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	SLC6A1	85	36
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	ADRA1A	29	48
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	DRD3	64	40
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	REN	40	35
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083659	FI	On-Demand	Anodyne	HNMT	60	36
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	HTR1A	45	41
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	DRD2	43	51
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	DRD4	21	48
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	HRH2	15	41
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	ADRA1D	22	41
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	HTR2A	19	40
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	SLC6A1	85	36
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	ADRA1A	29	48
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	DRD3	64	40
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	REN	40	35
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083660	FI	On-Demand	Anodyne	HNMT	60	36
C#CCNC(=O)CCN1CCC[C@H](c2ccccn2)C1	ZINC000852083663	CD	On-Demand	Mild	SLC6A1	113	34
C#CCNC(=O)CCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083664	CD	On-Demand	Mild	SLC6A1	113	34
Cn1cc(CCNC(=O)NNC(=O)C(C)(C)C)c2ccccc21	ZINC000852083690	DE	On-Demand	Reactive	MTNR1A	18	44
C[S@@](=O)CCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083696	CD	On-Demand	Anodyne	SLC6A1	62	40
C[S@@](=O)CCN1CCC[C@H](c2ccccn2)C1	ZINC000852083697	CD	On-Demand	Anodyne	SLC6A1	62	40
CC(C)(C)OC(=O)N1CC(N2CCC[C@H](c3ccccn3)C2)C1	ZINC000852083708	DF	On-Demand	Anodyne	GPR119	44	50
CC(C)(C)OC(=O)N1CC(N2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852083709	DF	On-Demand	Anodyne	GPR119	44	50
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	LCK	26	40
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	KDR	16	40
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	SLC1A1	26	44
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	SLC1A3	25	44
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	CCR2	52	41
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	SLC1A2	37	44
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	TEK	25	40
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	RIPK1	32	40
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083736	EF	On-Demand	Anodyne	KCNK3	36	45
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	LCK	26	40
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	KDR	16	40
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	SLC1A1	26	44
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	SLC1A3	25	44
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	CCR2	52	41
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	SLC1A2	37	44
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	TEK	25	40
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	RIPK1	32	40
O=C(CN[C@H](CCO)C(F)(F)F)Nc1cccc(C(F)(F)F)c1	ZINC000852083737	EF	On-Demand	Anodyne	KCNK3	36	45
CS(=O)(=O)c1ccc([C@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083743	ED	On-Demand	Anodyne	CTSF	53	36
CS(=O)(=O)c1ccc([C@@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083744	ED	On-Demand	Anodyne	CTSF	53	36
CS(=O)(=O)c1ccc([C@@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083745	ED	On-Demand	Anodyne	CTSF	53	36
CS(=O)(=O)c1ccc([C@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083746	ED	On-Demand	Anodyne	CTSF	53	36
CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083755	FD	On-Demand	Anodyne	ADRB2	43	65
CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083755	FD	On-Demand	Anodyne	ADRB1	70	65
CC(=O)Nc1ccc(OC[C@@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083755	FD	On-Demand	Anodyne	ADRB3	40	50
CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083756	FD	On-Demand	Anodyne	ADRB2	43	65
CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083756	FD	On-Demand	Anodyne	ADRB1	70	65
CC(=O)Nc1ccc(OC[C@@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083756	FD	On-Demand	Anodyne	ADRB3	40	50
CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083757	FD	On-Demand	Anodyne	ADRB2	43	65
CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083757	FD	On-Demand	Anodyne	ADRB1	70	65
CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083757	FD	On-Demand	Anodyne	ADRB3	40	50
CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083758	FD	On-Demand	Anodyne	ADRB2	43	65
CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083758	FD	On-Demand	Anodyne	ADRB1	70	65
CC(=O)Nc1ccc(OC[C@H](O)CN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083758	FD	On-Demand	Anodyne	ADRB3	40	50
Cc1cc(CN[C@@H](CCO)C(F)(F)F)c2ccccc2n1	ZINC000852083765	CF	On-Demand	Anodyne	ADAM17	64	35
Cc1cc(CN[C@H](CCO)C(F)(F)F)c2ccccc2n1	ZINC000852083766	CF	On-Demand	Anodyne	ADAM17	64	35
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccccc1Cl	ZINC000852083849	DH	On-Demand	Anodyne	OPRL1	43	52
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1ccccc1Cl	ZINC000852083850	DH	On-Demand	Anodyne	OPRL1	43	52
O=C(Cc1ccccc1)OCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083861	DG	On-Demand	Anodyne	SLC6A1	133	46
O=C(Cc1ccccc1)OCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083861	DG	On-Demand	Anodyne	LTA4H	41	44
O=C(Cc1ccccc1)OCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083861	DG	On-Demand	Anodyne	SIGMAR1	24	46
O=C(Cc1ccccc1)OCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083861	DG	On-Demand	Anodyne	PREP	44	36
O=C(Cc1ccccc1)OCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083862	DG	On-Demand	Anodyne	SLC6A1	133	46
O=C(Cc1ccccc1)OCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083862	DG	On-Demand	Anodyne	LTA4H	41	44
O=C(Cc1ccccc1)OCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083862	DG	On-Demand	Anodyne	SIGMAR1	24	46
O=C(Cc1ccccc1)OCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083862	DG	On-Demand	Anodyne	PREP	44	36
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccc(Cl)cc1Cl	ZINC000852083888	FI	On-Demand	Anodyne	CACNA1H	42	32
O[C@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccc(Cl)cc1Cl	ZINC000852083889	FI	On-Demand	Anodyne	CACNA1H	42	32
O[C@H](CN1CCC[C@H](c2ccccn2)C1)c1ccc(Cl)cc1Cl	ZINC000852083890	FI	On-Demand	Anodyne	CACNA1H	42	32
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1ccc(Cl)cc1Cl	ZINC000852083891	FI	On-Demand	Anodyne	CACNA1H	42	32
FC(F)OCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083896	CF	On-Demand	Anodyne	SLC6A1	55	37
FC(F)OCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852083896	CF	On-Demand	Anodyne	SLC6A3	23	40
FC(F)OCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083897	CF	On-Demand	Anodyne	SLC6A1	55	37
FC(F)OCCN1CCC[C@H](c2ccccn2)C1	ZINC000852083897	CF	On-Demand	Anodyne	SLC6A3	23	40
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852083898	FF	On-Demand	Reactive	CACNA1I	70	38
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852083899	FF	On-Demand	Reactive	CACNA1I	70	38
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852083905	EH	On-Demand	Anodyne	GPR119	50	49
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852083906	EH	On-Demand	Anodyne	GPR119	50	49
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852083907	EH	On-Demand	Anodyne	GPR119	50	49
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852083908	EH	On-Demand	Anodyne	GPR119	50	49
CS(=O)(=O)c1ccc(OCCCN[C@H](CCO)C(F)(F)F)cc1	ZINC000852083940	FD	On-Demand	Anodyne	CTSF	41	31
CS(=O)(=O)c1ccc(OCCCN[C@@H](CCO)C(F)(F)F)cc1	ZINC000852083941	FD	On-Demand	Anodyne	CTSF	41	31
O=C(CCN1CCC[C@H](c2ccccn2)C1)N1CCCC1	ZINC000852084027	CE	On-Demand	Anodyne	DRD4	16	55
O=C(CCN1CCC[C@H](c2ccccn2)C1)N1CCCC1	ZINC000852084027	CE	On-Demand	Anodyne	SLC6A1	138	38
O=C(CCN1CCC[C@H](c2ccccn2)C1)N1CCCC1	ZINC000852084027	CE	On-Demand	Anodyne	PREP	53	35
O=C(CCN1CCC[C@H](c2ccccn2)C1)N1CCCC1	ZINC000852084027	CE	On-Demand	Anodyne	MAP3K12	30	42
O=C(CCN1CCC[C@@H](c2ccccn2)C1)N1CCCC1	ZINC000852084028	CE	On-Demand	Anodyne	DRD4	16	55
O=C(CCN1CCC[C@@H](c2ccccn2)C1)N1CCCC1	ZINC000852084028	CE	On-Demand	Anodyne	SLC6A1	138	38
O=C(CCN1CCC[C@@H](c2ccccn2)C1)N1CCCC1	ZINC000852084028	CE	On-Demand	Anodyne	PREP	53	35
O=C(CCN1CCC[C@@H](c2ccccn2)C1)N1CCCC1	ZINC000852084028	CE	On-Demand	Anodyne	MAP3K12	30	42
C#CCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852084036	BF	On-Demand	Mild	SLC6A1	57	37
C#CCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852084036	BF	On-Demand	Mild	HRH3	20	44
C#CCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852084037	BF	On-Demand	Mild	SLC6A1	57	37
C#CCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852084037	BF	On-Demand	Mild	HRH3	20	44
CN(C)c1ccc(NC(=O)CCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084038	FG	On-Demand	Anodyne	SLC6A1	50	34
CN(C)c1ccc(NC(=O)CCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084039	FG	On-Demand	Anodyne	SLC6A1	50	34
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3CCC[C@@H](c4ccccn4)C3)O2)C1	ZINC000852084042	GG	On-Demand	Anodyne	GPR119	16	41
CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3CCC[C@@H](c4ccccn4)C3)O2)C1	ZINC000852084043	GG	On-Demand	Anodyne	GPR119	16	41
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3CCC[C@H](c4ccccn4)C3)O2)C1	ZINC000852084044	GG	On-Demand	Anodyne	GPR119	16	41
CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3CCC[C@H](c4ccccn4)C3)O2)C1	ZINC000852084045	GG	On-Demand	Anodyne	GPR119	16	41
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852084046	CF	On-Demand	Anodyne	SLC18A3	17	47
O[C@H](CN1CCC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852084047	CF	On-Demand	Anodyne	SLC18A3	17	47
O[C@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852084048	CF	On-Demand	Anodyne	SLC18A3	17	47
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852084049	CF	On-Demand	Anodyne	SLC18A3	17	47
CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852084060	GG	On-Demand	Anodyne	GPR119	58	50
CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852084061	GG	On-Demand	Anodyne	GPR119	58	50
CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852084062	GG	On-Demand	Anodyne	GPR119	58	50
CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852084063	GG	On-Demand	Anodyne	GPR119	58	50
CC(C)(C)OC(=O)N1CC[C@](O)(CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852084079	FF	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@@](O)(CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852084080	FF	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@@](O)(CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852084081	FF	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@](O)(CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852084082	FF	On-Demand	Anodyne	GPR119	31	44
CON(C)C(=O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852084088	CD	On-Demand	Anodyne	SLC6A1	53	34
CON(C)C(=O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852084089	CD	On-Demand	Anodyne	SLC6A1	53	34
c1ccc(Cn2cc(CN3CCC[C@@H](c4ccccn4)C3)nn2)cc1	ZINC000852084096	EG	On-Demand	Anodyne	DRD4	21	44
c1ccc(Cn2cc(CN3CCC[C@@H](c4ccccn4)C3)nn2)cc1	ZINC000852084096	EG	On-Demand	Anodyne	SIGMAR1	24	43
c1ccc(Cn2cc(CN3CCC[C@H](c4ccccn4)C3)nn2)cc1	ZINC000852084097	EG	On-Demand	Anodyne	DRD4	21	44
c1ccc(Cn2cc(CN3CCC[C@H](c4ccccn4)C3)nn2)cc1	ZINC000852084097	EG	On-Demand	Anodyne	SIGMAR1	24	43
O[C@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852084106	DH	On-Demand	Anodyne	DRD4	15	56
O[C@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852084106	DH	On-Demand	Anodyne	PRCP	21	43
O[C@H](CN1CCC[C@H](c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852084107	DH	On-Demand	Anodyne	DRD4	15	56
O[C@H](CN1CCC[C@H](c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852084107	DH	On-Demand	Anodyne	PRCP	21	43
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852084108	DH	On-Demand	Anodyne	DRD4	15	56
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852084108	DH	On-Demand	Anodyne	PRCP	21	43
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852084109	DH	On-Demand	Anodyne	DRD4	15	56
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852084109	DH	On-Demand	Anodyne	PRCP	21	43
OCC[C@H](NCc1cccc(OCc2ccccc2)c1)C(F)(F)F	ZINC000852084114	EH	On-Demand	Anodyne	MAOB	21	41
OCC[C@H](NCc1cccc(OCc2ccccc2)c1)C(F)(F)F	ZINC000852084114	EH	On-Demand	Anodyne	FFAR1	22	41
OCC[C@H](NCc1cccc(OCc2ccccc2)c1)C(F)(F)F	ZINC000852084114	EH	On-Demand	Anodyne	PDS	58	36
OCC[C@@H](NCc1cccc(OCc2ccccc2)c1)C(F)(F)F	ZINC000852084117	EH	On-Demand	Anodyne	MAOB	21	41
OCC[C@@H](NCc1cccc(OCc2ccccc2)c1)C(F)(F)F	ZINC000852084117	EH	On-Demand	Anodyne	FFAR1	22	41
OCC[C@@H](NCc1cccc(OCc2ccccc2)c1)C(F)(F)F	ZINC000852084117	EH	On-Demand	Anodyne	PDS	58	36
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC[C@H](c2ccccn2)C1	ZINC000852084240	FE	On-Demand	Anodyne	SLC6A1	82	33
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC[C@@H](c2ccccn2)C1	ZINC000852084243	FE	On-Demand	Anodyne	SLC6A1	82	33
CC(C)(C)C(=O)NNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852084245	DF	On-Demand	Reactive	TRPV1	19	48
CC(C)(C)C(=O)NNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852084245	DF	On-Demand	Reactive	DNAE	79	34
CC(C)(C)C(=O)NNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852084245	DF	On-Demand	Reactive	PTGES	18	48
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc2c(c1)CCC2	ZINC000852084248	DE	On-Demand	Anodyne	SLC1A2	41	36
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc2c(c1)CCC2	ZINC000852084250	DE	On-Demand	Anodyne	SLC1A2	41	36
OCC[C@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084254	FF	On-Demand	Anodyne	ADRB2	42	50
OCC[C@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084254	FF	On-Demand	Anodyne	ADRB1	48	42
OCC[C@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084254	FF	On-Demand	Anodyne	ADRB3	32	42
C#CCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852084256	BE	On-Demand	Mild	SLC6A1	50	33
OCC[C@@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084257	FF	On-Demand	Anodyne	ADRB2	42	50
OCC[C@@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084257	FF	On-Demand	Anodyne	ADRB1	48	42
OCC[C@@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084257	FF	On-Demand	Anodyne	ADRB3	32	42
C#CCCN1CCC[C@H](c2ccccn2)C1	ZINC000852084258	BE	On-Demand	Mild	SLC6A1	50	33
OCC[C@@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084259	FF	On-Demand	Anodyne	ADRB2	42	50
OCC[C@@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084259	FF	On-Demand	Anodyne	ADRB1	48	42
OCC[C@@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084259	FF	On-Demand	Anodyne	ADRB3	32	42
OCC[C@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084261	FF	On-Demand	Anodyne	ADRB2	42	50
OCC[C@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084261	FF	On-Demand	Anodyne	ADRB1	48	42
OCC[C@H](NC[C@H](O)COc1ccc(-c2ccccc2)cc1)C(F)(F)F	ZINC000852084261	FF	On-Demand	Anodyne	ADRB3	32	42
CC(C)(C)C(=O)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852084273	ED	On-Demand	Reactive	CACNA1I	48	37
CC(C)(C)OC(=O)NCCOCCN1CCC[C@H](c2ccccn2)C1	ZINC000852084275	EF	On-Demand	Anodyne	SLC6A1	103	41
CC(C)(C)OC(=O)NCCOCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852084277	EF	On-Demand	Anodyne	SLC6A1	103	41
O=C(CN[C@@H](CCO)C(F)(F)F)N(c1ccccc1)C1CCCCC1	ZINC000852084278	FG	On-Demand	Anodyne	AMY2	44	30
O=C(CN[C@H](CCO)C(F)(F)F)N(c1ccccc1)C1CCCCC1	ZINC000852084280	FG	On-Demand	Anodyne	AMY2	44	30
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084289	FH	On-Demand	Anodyne	SLC6A1	97	35
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084289	FH	On-Demand	Anodyne	LTA4H	57	42
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084289	FH	On-Demand	Anodyne	HRH3	50	42
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084289	FH	On-Demand	Anodyne	NR1H4	23	40
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084289	FH	On-Demand	Anodyne	PSMB1	42	37
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084292	FH	On-Demand	Anodyne	SLC6A1	97	35
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084292	FH	On-Demand	Anodyne	LTA4H	57	42
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084292	FH	On-Demand	Anodyne	HRH3	50	42
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084292	FH	On-Demand	Anodyne	NR1H4	23	40
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084292	FH	On-Demand	Anodyne	PSMB1	42	37
O=C(CN1CCC[C@H](c2ccccn2)C1)NOCc1ccccc1	ZINC000852084316	EF	On-Demand	Anodyne	GRIN2B	26	44
O=C(CN1CCC[C@H](c2ccccn2)C1)NOCc1ccccc1	ZINC000852084316	EF	On-Demand	Anodyne	SIGMAR1	17	42
O=C(CN1CCC[C@H](c2ccccn2)C1)NOCc1ccccc1	ZINC000852084316	EF	On-Demand	Anodyne	PREP	47	39
O=C(CN1CCC[C@@H](c2ccccn2)C1)NOCc1ccccc1	ZINC000852084317	EF	On-Demand	Anodyne	GRIN2B	26	44
O=C(CN1CCC[C@@H](c2ccccn2)C1)NOCc1ccccc1	ZINC000852084317	EF	On-Demand	Anodyne	SIGMAR1	17	42
O=C(CN1CCC[C@@H](c2ccccn2)C1)NOCc1ccccc1	ZINC000852084317	EF	On-Demand	Anodyne	PREP	47	39
FCc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084324	CH	On-Demand	Anodyne	DRD4	20	47
FCc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084324	CH	On-Demand	Anodyne	SIGMAR1	27	40
FCc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084325	CH	On-Demand	Anodyne	DRD4	20	47
FCc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084325	CH	On-Demand	Anodyne	SIGMAR1	27	40
CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852084340	GG	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852084341	GG	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852084342	GG	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852084343	GG	On-Demand	Anodyne	GPR119	25	43
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NNC(=O)C(C)(C)C)CCC2	ZINC000852084350	FE	On-Demand	Reactive	NQO2	22	44
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NNC(=O)C(C)(C)C)CCC2	ZINC000852084351	FE	On-Demand	Reactive	NQO2	22	44
CC(C)(C)C(=O)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852084358	EF	On-Demand	Reactive	GHRHR	45	41
CC(C)(C)C(=O)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852084358	EF	On-Demand	Reactive	SCD	21	40
CC(C)(C)C(=O)NNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852084358	EF	On-Demand	Reactive	TRPM8	34	59
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C(C)(C)C)C2)cc1	ZINC000852084363	ED	On-Demand	Reactive	MTNR1B	15	47
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852084365	GG	On-Demand	Anodyne	DRD4	17	46
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852084365	GG	On-Demand	Anodyne	SLC6A1	63	32
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852084366	GG	On-Demand	Anodyne	DRD4	17	46
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852084366	GG	On-Demand	Anodyne	SLC6A1	63	32
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852084372	FF	On-Demand	Anodyne	HTR1A	24	41
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852084372	FF	On-Demand	Anodyne	DRD2	17	40
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852084372	FF	On-Demand	Anodyne	DRD4	18	49
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852084372	FF	On-Demand	Anodyne	SLC6A1	80	35
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852084372	FF	On-Demand	Anodyne	GPR119	51	51
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852084373	FF	On-Demand	Anodyne	HTR1A	24	41
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852084373	FF	On-Demand	Anodyne	DRD2	17	40
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852084373	FF	On-Demand	Anodyne	DRD4	18	49
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852084373	FF	On-Demand	Anodyne	SLC6A1	80	35
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852084373	FF	On-Demand	Anodyne	GPR119	51	51
Fc1cc(CN2CCC[C@@H](c3ccccn3)C2)cnc1Cl	ZINC000852084411	DH	On-Demand	Anodyne	DRD4	19	47
OCC[C@H](NCc1nnc(-c2cccc(Cl)c2)o1)C(F)(F)F	ZINC000852084495	EF	On-Demand	Anodyne	CYP73A16	15	44
OCC[C@@H](NCc1nnc(-c2cccc(Cl)c2)o1)C(F)(F)F	ZINC000852084496	EF	On-Demand	Anodyne	CYP73A16	15	44
O=C(CN[C@H](CCO)C(F)(F)F)OCc1ccccc1	ZINC000852084503	CD	On-Demand	Anodyne	KLK3	66	35
O=C(CN[C@@H](CCO)C(F)(F)F)OCc1ccccc1	ZINC000852084504	CD	On-Demand	Anodyne	KLK3	66	35
Fc1cc(CN2CCC[C@H](c3ccccn3)C2)cnc1Cl	ZINC000852084512	DH	On-Demand	Anodyne	DRD4	19	47
CC(C)(C)OC(=O)N1CC(CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852084519	EG	On-Demand	Anodyne	SLC6A1	44	32
CC(C)(C)OC(=O)N1CC(CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852084519	EG	On-Demand	Anodyne	GPR119	47	48
CC(C)(C)OC(=O)N1CC(CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852084520	EG	On-Demand	Anodyne	SLC6A1	44	32
CC(C)(C)OC(=O)N1CC(CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852084520	EG	On-Demand	Anodyne	GPR119	47	48
CC(C)(C)C(=O)NNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852084521	FF	On-Demand	Reactive	P2RY14	47	37
O[C@@H](CCN1CCC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852084532	CG	On-Demand	Anodyne	SLC6A1	67	40
O[C@H](CCN1CCC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852084533	CG	On-Demand	Anodyne	SLC6A1	67	40
O[C@@H](CCN1CCC[C@@H](c2ccccn2)C1)c1ccccc1	ZINC000852084534	CG	On-Demand	Anodyne	SLC6A1	67	40
O[C@H](CCN1CCC[C@H](c2ccccn2)C1)c1ccccc1	ZINC000852084535	CG	On-Demand	Anodyne	SLC6A1	67	40
NS(=O)(=O)c1ccc(CCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084558	EE	On-Demand	Anodyne	CA2	39	44
NS(=O)(=O)c1ccc(CCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084558	EE	On-Demand	Anodyne	CA1	37	44
NS(=O)(=O)c1ccc(CCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084558	EE	On-Demand	Anodyne	HRH3	16	47
NS(=O)(=O)c1ccc(CCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084558	EE	On-Demand	Anodyne	CA4	21	44
NS(=O)(=O)c1ccc(CCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084558	EE	On-Demand	Anodyne	CA12	25	44
NS(=O)(=O)c1ccc(CCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852084558	EE	On-Demand	Anodyne	CA9	37	44
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084559	EE	On-Demand	Anodyne	CA2	39	44
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084559	EE	On-Demand	Anodyne	CA1	37	44
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084559	EE	On-Demand	Anodyne	HRH3	16	47
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084559	EE	On-Demand	Anodyne	CA4	21	44
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084559	EE	On-Demand	Anodyne	CA12	25	44
NS(=O)(=O)c1ccc(CCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852084559	EE	On-Demand	Anodyne	CA9	37	44
C#CCOCCN1CCC[C@H](c2ccccn2)C1	ZINC000852084601	BD	On-Demand	Mild	SLC6A1	79	42
C#CCOCCN1CCC[C@H](c2ccccn2)C1	ZINC000852084601	BD	On-Demand	Mild	LTA4H	27	40
C#CCOCCN1CCC[C@H](c2ccccn2)C1	ZINC000852084601	BD	On-Demand	Mild	HRH3	26	43
C#CCOCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852084602	BD	On-Demand	Mild	SLC6A1	79	42
C#CCOCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852084602	BD	On-Demand	Mild	LTA4H	27	40
C#CCOCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852084602	BD	On-Demand	Mild	HRH3	26	43
OCC[C@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852084653	FF	On-Demand	Anodyne	ADRB2	21	42
OCC[C@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852084653	FF	On-Demand	Anodyne	GRIN1	23	40
OCC[C@@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852084654	FF	On-Demand	Anodyne	ADRB2	21	42
OCC[C@@H](NC[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852084654	FF	On-Demand	Anodyne	GRIN1	23	40
OCC[C@@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852084655	FF	On-Demand	Anodyne	ADRB2	21	42
OCC[C@@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852084655	FF	On-Demand	Anodyne	GRIN1	23	40
OCC[C@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852084656	FF	On-Demand	Anodyne	ADRB2	21	42
OCC[C@H](NC[C@H](O)COc1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852084656	FF	On-Demand	Anodyne	GRIN1	23	40
O=C(c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1)N1CCCC1	ZINC000852084674	EE	On-Demand	Anodyne	DPP7	49	36
O=C(c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1)N1CCCC1	ZINC000852084674	EE	On-Demand	Anodyne	MLYCD	20	45
O=C(c1ccc(CN[C@@H](CCO)C(F)(F)F)cc1)N1CCCC1	ZINC000852084674	EE	On-Demand	Anodyne	L3MBTL3	63	38
O=C(c1ccc(CN[C@H](CCO)C(F)(F)F)cc1)N1CCCC1	ZINC000852084675	EE	On-Demand	Anodyne	DPP7	49	36
O=C(c1ccc(CN[C@H](CCO)C(F)(F)F)cc1)N1CCCC1	ZINC000852084675	EE	On-Demand	Anodyne	MLYCD	20	45
O=C(c1ccc(CN[C@H](CCO)C(F)(F)F)cc1)N1CCCC1	ZINC000852084675	EE	On-Demand	Anodyne	L3MBTL3	63	38
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	CA2	89	49
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	LTA4H	31	53
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	CA1	94	49
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	CA7	43	42
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	CA4	86	49
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	CA14	36	40
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	CA12	63	49
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	CA9	71	49
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	MTCA1	45	49
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852084682	GD	On-Demand	Anodyne	P96878_MYCTU	58	49
OCC[C@@H](NC[C@H](O)COc1ccc(Br)cc1)C(F)(F)F	ZINC000852084683	FE	On-Demand	Anodyne	ADRB2	22	44
OCC[C@@H](NC[C@H](O)COc1ccc(Br)cc1)C(F)(F)F	ZINC000852084683	FE	On-Demand	Anodyne	ADRB1	28	42
OCC[C@H](NC[C@H](O)COc1ccc(Br)cc1)C(F)(F)F	ZINC000852084684	FE	On-Demand	Anodyne	ADRB2	22	44
OCC[C@H](NC[C@H](O)COc1ccc(Br)cc1)C(F)(F)F	ZINC000852084684	FE	On-Demand	Anodyne	ADRB1	28	42
OCC[C@H](NC[C@@H](O)COc1ccc(Br)cc1)C(F)(F)F	ZINC000852084685	FE	On-Demand	Anodyne	ADRB2	22	44
OCC[C@H](NC[C@@H](O)COc1ccc(Br)cc1)C(F)(F)F	ZINC000852084685	FE	On-Demand	Anodyne	ADRB1	28	42
OCC[C@@H](NC[C@@H](O)COc1ccc(Br)cc1)C(F)(F)F	ZINC000852084686	FE	On-Demand	Anodyne	ADRB2	22	44
OCC[C@@H](NC[C@@H](O)COc1ccc(Br)cc1)C(F)(F)F	ZINC000852084686	FE	On-Demand	Anodyne	ADRB1	28	42
OCC[C@H](NCc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(F)(F)F	ZINC000852084687	GI	On-Demand	Anodyne	PTGES2	40	32
OCC[C@@H](NCc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(F)(F)F	ZINC000852084688	GI	On-Demand	Anodyne	PTGES2	40	32
C#CCOCCN1CCC2(CCN(Cc3ccccc3)CC2)C1	ZINC000852084695	DF	On-Demand	Mild	SIGMAR1	61	45
O=C(CN[C@@H](CCO)C(F)(F)F)N[C@H](Cc1ccccc1)c1ccccc1	ZINC000852084696	GF	On-Demand	Anodyne	MME	52	42
O=C(CN[C@@H](CCO)C(F)(F)F)N[C@H](Cc1ccccc1)c1ccccc1	ZINC000852084696	GF	On-Demand	Anodyne	ANPEP	48	33
O=C(CN[C@H](CCO)C(F)(F)F)N[C@H](Cc1ccccc1)c1ccccc1	ZINC000852084697	GF	On-Demand	Anodyne	MME	52	42
O=C(CN[C@H](CCO)C(F)(F)F)N[C@H](Cc1ccccc1)c1ccccc1	ZINC000852084697	GF	On-Demand	Anodyne	ANPEP	48	33
O=C(CN[C@@H](CCO)C(F)(F)F)N[C@@H](Cc1ccccc1)c1ccccc1	ZINC000852084698	GF	On-Demand	Anodyne	MME	52	42
O=C(CN[C@@H](CCO)C(F)(F)F)N[C@@H](Cc1ccccc1)c1ccccc1	ZINC000852084698	GF	On-Demand	Anodyne	ANPEP	48	33
O=C(CN[C@H](CCO)C(F)(F)F)N[C@@H](Cc1ccccc1)c1ccccc1	ZINC000852084699	GF	On-Demand	Anodyne	MME	52	42
O=C(CN[C@H](CCO)C(F)(F)F)N[C@@H](Cc1ccccc1)c1ccccc1	ZINC000852084699	GF	On-Demand	Anodyne	ANPEP	48	33
O=C(CN[C@@H](CCO)C(F)(F)F)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000852084730	GD	On-Demand	Anodyne	EPHX2	19	40
O=C(CN[C@H](CCO)C(F)(F)F)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000852084731	GD	On-Demand	Anodyne	EPHX2	19	40
OCC[C@@H](NC[C@@H](O)COc1ccccc1Cl)C(F)(F)F	ZINC000852084748	ED	On-Demand	Anodyne	ADRB2	25	47
OCC[C@@H](NC[C@@H](O)COc1ccccc1Cl)C(F)(F)F	ZINC000852084748	ED	On-Demand	Anodyne	ADRB1	40	36
OCC[C@H](NC[C@H](O)COc1ccccc1Cl)C(F)(F)F	ZINC000852084749	ED	On-Demand	Anodyne	ADRB2	25	47
OCC[C@H](NC[C@H](O)COc1ccccc1Cl)C(F)(F)F	ZINC000852084749	ED	On-Demand	Anodyne	ADRB1	40	36
OCC[C@@H](NC[C@H](O)COc1ccccc1Cl)C(F)(F)F	ZINC000852084750	ED	On-Demand	Anodyne	ADRB2	25	47
OCC[C@@H](NC[C@H](O)COc1ccccc1Cl)C(F)(F)F	ZINC000852084750	ED	On-Demand	Anodyne	ADRB1	40	36
OCC[C@H](NC[C@@H](O)COc1ccccc1Cl)C(F)(F)F	ZINC000852084751	ED	On-Demand	Anodyne	ADRB2	25	47
OCC[C@H](NC[C@@H](O)COc1ccccc1Cl)C(F)(F)F	ZINC000852084751	ED	On-Demand	Anodyne	ADRB1	40	36
OCC[C@H](NCc1cc(Cl)ccc1OCc1cccnc1)C(F)(F)F	ZINC000852084754	FH	On-Demand	Anodyne	PTGER1	56	43
OCC[C@@H](NCc1cc(Cl)ccc1OCc1cccnc1)C(F)(F)F	ZINC000852084755	FH	On-Demand	Anodyne	PTGER1	56	43
OCC[C@@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084823	FE	On-Demand	Anodyne	ADRB2	20	45
OCC[C@@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084823	FE	On-Demand	Anodyne	ADRB1	26	45
OCC[C@@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084823	FE	On-Demand	Anodyne	PDS	48	41
OCC[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084824	FE	On-Demand	Anodyne	ADRB2	20	45
OCC[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084824	FE	On-Demand	Anodyne	ADRB1	26	45
OCC[C@H](NC[C@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084824	FE	On-Demand	Anodyne	PDS	48	41
OCC[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084826	FE	On-Demand	Anodyne	ADRB2	20	45
OCC[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084826	FE	On-Demand	Anodyne	ADRB1	26	45
OCC[C@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084826	FE	On-Demand	Anodyne	PDS	48	41
OCC[C@@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084828	FE	On-Demand	Anodyne	ADRB2	20	45
OCC[C@@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084828	FE	On-Demand	Anodyne	ADRB1	26	45
OCC[C@@H](NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852084828	FE	On-Demand	Anodyne	PDS	48	41
CC(C)(C)C(=O)NNC(=O)NCCc1ccnc2ccccc12	ZINC000852084839	DE	On-Demand	Reactive	MTNR1A	38	45
CC(C)(C)C(=O)NNC(=O)NCCc1ccnc2ccccc12	ZINC000852084839	DE	On-Demand	Reactive	MTNR1B	26	45
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852084845	FF	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852084846	FF	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC[C@H](c3ccccn3)C2)C1	ZINC000852084847	FF	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC[C@@H](c3ccccn3)C2)C1	ZINC000852084848	FF	On-Demand	Anodyne	GPR119	29	44
CCc1ccc([C@@H]2CCN(C[C@@H](O)c3ccccn3)C2)cc1	ZINC000852084936	CG	On-Demand	Anodyne	SLC18A3	18	43
CCc1ccc([C@@H]2CCN(C[C@H](O)c3ccccn3)C2)cc1	ZINC000852084937	CG	On-Demand	Anodyne	SLC18A3	18	43
O=C1CC[C@H](CN2CCC3(CCN(Cc4ccccc4)CC3)C2)O1	ZINC000852084954	EF	On-Demand	Anodyne	CHRM2	17	43
O=C1CC[C@H](CN2CCC3(CCN(Cc4ccccc4)CC3)C2)O1	ZINC000852084954	EF	On-Demand	Anodyne	ACHE	29	40
O=C1CC[C@H](CN2CCC3(CCN(Cc4ccccc4)CC3)C2)O1	ZINC000852084954	EF	On-Demand	Anodyne	CHRM3	15	43
O=C1CC[C@H](CN2CCC3(CCN(Cc4ccccc4)CC3)C2)O1	ZINC000852084954	EF	On-Demand	Anodyne	SIGMAR1	83	52
O=C1CC[C@@H](CN2CCC3(CCN(Cc4ccccc4)CC3)C2)O1	ZINC000852084955	EF	On-Demand	Anodyne	CHRM2	17	43
O=C1CC[C@@H](CN2CCC3(CCN(Cc4ccccc4)CC3)C2)O1	ZINC000852084955	EF	On-Demand	Anodyne	ACHE	29	40
O=C1CC[C@@H](CN2CCC3(CCN(Cc4ccccc4)CC3)C2)O1	ZINC000852084955	EF	On-Demand	Anodyne	CHRM3	15	43
O=C1CC[C@@H](CN2CCC3(CCN(Cc4ccccc4)CC3)C2)O1	ZINC000852084955	EF	On-Demand	Anodyne	SIGMAR1	83	52
NC(=O)[C@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084958	GE	On-Demand	Anodyne	CHRM2	26	52
NC(=O)[C@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084958	GE	On-Demand	Anodyne	CHRM1	15	42
NC(=O)[C@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084958	GE	On-Demand	Anodyne	CHRM3	31	50
NC(=O)[C@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084958	GE	On-Demand	Anodyne	SIGMAR1	63	44
NC(=O)[C@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084958	GE	On-Demand	Anodyne	NPFFR2	38	42
NC(=O)[C@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084958	GE	On-Demand	Anodyne	MCHR2	47	33
NC(=O)[C@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084958	GE	On-Demand	Anodyne	NPFFR1	51	42
NC(=O)[C@@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084959	GE	On-Demand	Anodyne	CHRM2	26	52
NC(=O)[C@@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084959	GE	On-Demand	Anodyne	CHRM1	15	42
NC(=O)[C@@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084959	GE	On-Demand	Anodyne	CHRM3	31	50
NC(=O)[C@@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084959	GE	On-Demand	Anodyne	SIGMAR1	63	44
NC(=O)[C@@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084959	GE	On-Demand	Anodyne	NPFFR2	38	42
NC(=O)[C@@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084959	GE	On-Demand	Anodyne	MCHR2	47	33
NC(=O)[C@@](O)(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1	ZINC000852084959	GE	On-Demand	Anodyne	NPFFR1	51	42
O[C@@H](CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccn1	ZINC000852084973	FG	On-Demand	Anodyne	SIGMAR1	45	43
O[C@H](CN1CCC2(CCN(Cc3ccccc3)CC2)C1)c1ccccn1	ZINC000852084974	FG	On-Demand	Anodyne	SIGMAR1	45	43
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1ccccn1	ZINC000852084975	FC	On-Demand	Anodyne	CA2	25	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1ccccn1	ZINC000852084975	FC	On-Demand	Anodyne	CA1	23	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1ccccn1	ZINC000852084975	FC	On-Demand	Anodyne	CA7	29	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1ccccn1	ZINC000852084975	FC	On-Demand	Anodyne	CA4	16	40
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1ccccn1	ZINC000852084975	FC	On-Demand	Anodyne	CA12	19	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)c1ccccn1	ZINC000852084975	FC	On-Demand	Anodyne	CA9	23	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1ccccn1	ZINC000852084976	FC	On-Demand	Anodyne	CA2	25	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1ccccn1	ZINC000852084976	FC	On-Demand	Anodyne	CA1	23	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1ccccn1	ZINC000852084976	FC	On-Demand	Anodyne	CA7	29	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1ccccn1	ZINC000852084976	FC	On-Demand	Anodyne	CA4	16	40
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1ccccn1	ZINC000852084976	FC	On-Demand	Anodyne	CA12	19	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)c1ccccn1	ZINC000852084976	FC	On-Demand	Anodyne	CA9	23	44
O=C(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)Nc1ccc(Cl)nc1	ZINC000852084983	GH	On-Demand	Anodyne	SIGMAR1	43	39
O=C(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)Nc1ccc(Cl)nc1	ZINC000852084983	GH	On-Demand	Anodyne	NPFFR2	34	41
O=C(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)Nc1ccc(Cl)nc1	ZINC000852084983	GH	On-Demand	Anodyne	FAAH	20	45
O=C(CN1CCC2(CCN(Cc3ccccc3)CC2)C1)Nc1ccc(Cl)nc1	ZINC000852084983	GH	On-Demand	Anodyne	NPFFR1	46	41
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)n1	ZINC000852084992	ED	On-Demand	Anodyne	CA2	29	48
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)n1	ZINC000852084992	ED	On-Demand	Anodyne	CA1	31	48
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)n1	ZINC000852084992	ED	On-Demand	Anodyne	CA7	40	48
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)n1	ZINC000852084992	ED	On-Demand	Anodyne	CA4	15	40
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)n1	ZINC000852084992	ED	On-Demand	Anodyne	CA14	24	40
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)n1	ZINC000852084992	ED	On-Demand	Anodyne	CA12	24	48
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(F)n1	ZINC000852084992	ED	On-Demand	Anodyne	CA9	31	48
O=C(NCCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852085010	FC	On-Demand	Anodyne	PLD1	61	42
O=C(NCCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852085010	FC	On-Demand	Anodyne	PLD2	62	42
O=C(NCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852085011	FC	On-Demand	Anodyne	PLD1	61	42
O=C(NCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852085011	FC	On-Demand	Anodyne	PLD2	62	42
COc1ccc(CN(C(=O)CN[C@@H](CCO)C(F)(F)F)C2CC2)cc1	ZINC000852085210	FE	On-Demand	Anodyne	MMP3	15	42
COc1ccc(CN(C(=O)CN[C@H](CCO)C(F)(F)F)C2CC2)cc1	ZINC000852085212	FE	On-Demand	Anodyne	MMP3	15	42
CCc1ccc([C@@H]2CCN(CCOC(F)F)C2)cc1	ZINC000852085234	CG	On-Demand	Anodyne	SLC6A3	22	40
FC(F)OCCN1CCC[C@@H](c2ccccc2)C1	ZINC000852085240	CG	On-Demand	Anodyne	SLC6A1	133	43
FC(F)OCCN1CCC[C@@H](c2ccccc2)C1	ZINC000852085240	CG	On-Demand	Anodyne	SLC6A4	19	42
FC(F)OCCN1CCC[C@@H](c2ccccc2)C1	ZINC000852085240	CG	On-Demand	Anodyne	SLC6A3	50	42
FC(F)OCCN1CCC[C@@H](c2ccccc2)C1	ZINC000852085240	CG	On-Demand	Anodyne	SIGMAR1	18	47
FC(F)OCCN1CCC[C@@H](c2ccccc2)C1	ZINC000852085240	CG	On-Demand	Anodyne	SLC18A3	37	42
FC(F)OCCN1CCC[C@H](c2ccccc2)C1	ZINC000852085242	CG	On-Demand	Anodyne	SLC6A1	133	43
FC(F)OCCN1CCC[C@H](c2ccccc2)C1	ZINC000852085242	CG	On-Demand	Anodyne	SLC6A4	19	42
FC(F)OCCN1CCC[C@H](c2ccccc2)C1	ZINC000852085242	CG	On-Demand	Anodyne	SLC6A3	50	42
FC(F)OCCN1CCC[C@H](c2ccccc2)C1	ZINC000852085242	CG	On-Demand	Anodyne	SIGMAR1	18	47
FC(F)OCCN1CCC[C@H](c2ccccc2)C1	ZINC000852085242	CG	On-Demand	Anodyne	SLC18A3	37	42
O=C(CN[C@H](CCO)C(F)(F)F)NCCCc1ccccc1	ZINC000852085253	DD	On-Demand	Anodyne	AMP1_PLAFQ	22	42
O=C(CN[C@H](CCO)C(F)(F)F)NCCCc1ccccc1	ZINC000852085253	DD	On-Demand	Anodyne	POLG_WNV	41	32
O=C(CN[C@H](CCO)C(F)(F)F)NCCCc1ccccc1	ZINC000852085253	DD	On-Demand	Anodyne	CRTM	44	43
O=C(CN[C@@H](CCO)C(F)(F)F)NCCCc1ccccc1	ZINC000852085254	DD	On-Demand	Anodyne	AMP1_PLAFQ	22	42
O=C(CN[C@@H](CCO)C(F)(F)F)NCCCc1ccccc1	ZINC000852085254	DD	On-Demand	Anodyne	POLG_WNV	41	32
O=C(CN[C@@H](CCO)C(F)(F)F)NCCCc1ccccc1	ZINC000852085254	DD	On-Demand	Anodyne	CRTM	44	43
O=C(CN[C@@H](CCO)C(F)(F)F)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852085255	GD	On-Demand	Anodyne	MLYCD	18	40
O=C(CN[C@H](CCO)C(F)(F)F)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852085258	GD	On-Demand	Anodyne	MLYCD	18	40
OCC[C@H](NCc1ccc(OCc2ccccc2)cc1)C(F)(F)F	ZINC000852085262	EH	On-Demand	Anodyne	MAOB	21	54
OCC[C@H](NCc1ccc(OCc2ccccc2)cc1)C(F)(F)F	ZINC000852085262	EH	On-Demand	Anodyne	LTA4H	20	40
OCC[C@H](NCc1ccc(OCc2ccccc2)cc1)C(F)(F)F	ZINC000852085262	EH	On-Demand	Anodyne	FFAR1	34	42
OCC[C@H](NCc1ccc(OCc2ccccc2)cc1)C(F)(F)F	ZINC000852085262	EH	On-Demand	Anodyne	FFAR4	40	36
OCC[C@@H](NCc1ccc(OCc2ccccc2)cc1)C(F)(F)F	ZINC000852085265	EH	On-Demand	Anodyne	MAOB	21	54
OCC[C@@H](NCc1ccc(OCc2ccccc2)cc1)C(F)(F)F	ZINC000852085265	EH	On-Demand	Anodyne	LTA4H	20	40
OCC[C@@H](NCc1ccc(OCc2ccccc2)cc1)C(F)(F)F	ZINC000852085265	EH	On-Demand	Anodyne	FFAR1	34	42
OCC[C@@H](NCc1ccc(OCc2ccccc2)cc1)C(F)(F)F	ZINC000852085265	EH	On-Demand	Anodyne	FFAR4	40	36
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852085290	GD	On-Demand	Anodyne	RBP4	45	33
FC(F)OCCN1CCC2(CCN(Cc3ccccc3)CC2)C1	ZINC000852085291	DG	On-Demand	Anodyne	SLC6A4	15	42
FC(F)OCCN1CCC2(CCN(Cc3ccccc3)CC2)C1	ZINC000852085291	DG	On-Demand	Anodyne	SLC6A3	41	43
FC(F)OCCN1CCC2(CCN(Cc3ccccc3)CC2)C1	ZINC000852085291	DG	On-Demand	Anodyne	SIGMAR1	76	48
CC(C)(C)OC(=O)N1CCC2(CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852085304	DF	On-Demand	Anodyne	GPR119	35	40
C#CCOCCN1CCC(CO)(c2ccccc2)CC1	ZINC000852085309	CD	On-Demand	Mild	SIGMAR1	17	41
CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852085349	FC	On-Demand	Clean	MTNR1A	17	46
CCNS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852085350	FC	On-Demand	Clean	MTNR1A	17	46
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3ccccc3OC)C2)c1	ZINC000852085379	GF	On-Demand	Reactive	DRD4	40	32
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3ccccc3OC)C2)c1	ZINC000852085379	GF	On-Demand	Reactive	KCNA3	47	40
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3ccccc3OC)C2)c1	ZINC000852085379	GF	On-Demand	Reactive	HCN1	73	40
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3ccccc3OC)C2)c1	ZINC000852085379	GF	On-Demand	Reactive	HCN4	51	39
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3ccccc3OC)C2)c1	ZINC000852085379	GF	On-Demand	Reactive	KCNK3	35	41
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3ccccc3OC)C2)c1	ZINC000852085379	GF	On-Demand	Reactive	KCNK9	26	41
O=P(CCN1CCC[C@H](c2ccccn2)C1)(c1ccccc1)c1ccccc1	ZINC000852085381	GI	On-Demand	Reactive	SLC6A1	64	33
O=P(CCN1CCC[C@@H](c2ccccn2)C1)(c1ccccc1)c1ccccc1	ZINC000852085382	GI	On-Demand	Reactive	SLC6A1	64	33
CCNS(=O)(=O)CCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852085388	FD	On-Demand	Anodyne	DRD4	43	32
CCNS(=O)(=O)CCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852085389	FD	On-Demand	Anodyne	DRD4	43	32
NC(=O)NC(=O)OCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852085390	DD	On-Demand	Anodyne	HTR1A	22	41
NC(=O)NC(=O)OCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852085390	DD	On-Demand	Anodyne	SLC6A1	132	39
NC(=O)NC(=O)OCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852085390	DD	On-Demand	Anodyne	HRH3	63	46
NC(=O)NC(=O)OCCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852085390	DD	On-Demand	Anodyne	HNMT	45	33
NC(=O)NC(=O)OCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852085391	DD	On-Demand	Anodyne	HTR1A	22	41
NC(=O)NC(=O)OCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852085391	DD	On-Demand	Anodyne	SLC6A1	132	39
NC(=O)NC(=O)OCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852085391	DD	On-Demand	Anodyne	HRH3	63	46
NC(=O)NC(=O)OCCCN1CCC[C@H](c2ccccn2)C1	ZINC000852085391	DD	On-Demand	Anodyne	HNMT	45	33
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852085393	FD	On-Demand	Reactive	SLC6A1	44	34
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852085394	FD	On-Demand	Reactive	SLC6A1	44	34
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	DRD4	42	32
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	DRD5	17	42
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	MMP13	24	40
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	MTNR1A	49	45
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	MTNR1B	42	45
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	MMP3	27	40
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	MMP9	23	40
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	MMP7	21	40
CCNS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852085401	EC	On-Demand	Anodyne	MMP1	25	40
CCNS(=O)(=O)CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852085413	FB	On-Demand	Anodyne	PYGL	34	46
CCNS(=O)(=O)CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852085413	FB	On-Demand	Anodyne	PYGM	29	46
CCNS(=O)(=O)CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852085413	FB	On-Demand	Anodyne	TPP2	52	35
CCNS(=O)(=O)CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852085414	FB	On-Demand	Anodyne	PYGL	34	46
CCNS(=O)(=O)CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852085414	FB	On-Demand	Anodyne	PYGM	29	46
CCNS(=O)(=O)CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852085414	FB	On-Demand	Anodyne	TPP2	52	35
CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852085443	EG	On-Demand	Anodyne	HRH2	21	43
CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852085443	EG	On-Demand	Anodyne	FAAH	15	41
CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852085443	EG	On-Demand	Anodyne	MCHR2	44	32
CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852085443	EG	On-Demand	Anodyne	CCR8	51	42
OCC[C@@H](NCCOc1cccc(Cl)c1)C(F)(F)F	ZINC000852085446	CF	On-Demand	Anodyne	PDS	45	34
OCC[C@H](NCCOc1cccc(Cl)c1)C(F)(F)F	ZINC000852085447	CF	On-Demand	Anodyne	PDS	45	34
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@H](c2ccccc2)C1	ZINC000852085460	EG	On-Demand	Anodyne	SLC6A1	81	38
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@H](c2ccccc2)C1	ZINC000852085460	EG	On-Demand	Anodyne	SLC18A3	42	44
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@H](c2ccccc2)C1	ZINC000852085461	EG	On-Demand	Anodyne	SLC6A1	81	38
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@H](c2ccccc2)C1	ZINC000852085461	EG	On-Demand	Anodyne	SLC18A3	42	44
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H](c2ccccc2)C1	ZINC000852085462	EG	On-Demand	Anodyne	SLC6A1	81	38
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H](c2ccccc2)C1	ZINC000852085462	EG	On-Demand	Anodyne	SLC18A3	42	44
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H](c2ccccc2)C1	ZINC000852085463	EG	On-Demand	Anodyne	SLC6A1	81	38
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H](c2ccccc2)C1	ZINC000852085463	EG	On-Demand	Anodyne	SLC18A3	42	44
CC(C)(C)C(=O)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852085477	DD	On-Demand	Reactive	CACNA1I	69	40
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852085500	GD	On-Demand	Anodyne	RBP4	45	33
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852085507	DD	On-Demand	Reactive	DRD2	25	47
CC(C)(C)C(=O)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852085507	DD	On-Demand	Reactive	SIGMAR1	31	45
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852085509	DD	On-Demand	Reactive	DRD2	25	47
CC(C)(C)C(=O)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852085509	DD	On-Demand	Reactive	SIGMAR1	31	45
O=C(CN[C@@H](CCO)C(F)(F)F)N[C@H]1CCCc2ccccc21	ZINC000852085515	EE	On-Demand	Anodyne	BDKRB1	42	39
O=C(CN[C@@H](CCO)C(F)(F)F)N[C@@H]1CCCc2ccccc21	ZINC000852085519	EE	On-Demand	Anodyne	BDKRB1	42	39
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852085520	FD	On-Demand	Reactive	MAP3K12	30	44
O=C(CN[C@H](CCO)C(F)(F)F)N[C@H]1CCCc2ccccc21	ZINC000852085522	EE	On-Demand	Anodyne	BDKRB1	42	39
N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852085523	FD	On-Demand	Reactive	MAP3K12	30	44
O=C(CN[C@H](CCO)C(F)(F)F)N[C@@H]1CCCc2ccccc21	ZINC000852085524	EE	On-Demand	Anodyne	BDKRB1	42	39
O=C(CN[C@@H](CCO)C(F)(F)F)NCc1ccc(CN2CCCC2)cc1	ZINC000852085555	FD	On-Demand	Anodyne	BDKRB1	20	41
O=C(CN[C@H](CCO)C(F)(F)F)NCc1ccc(CN2CCCC2)cc1	ZINC000852085557	FD	On-Demand	Anodyne	BDKRB1	20	41
O=C(CN[C@@H](CCO)C(F)(F)F)NCC1(c2ccccc2)CCCC1	ZINC000852085567	FF	On-Demand	Anodyne	KCNA3	41	35
O=C(CN[C@@H](CCO)C(F)(F)F)NCC1(c2ccccc2)CCCC1	ZINC000852085567	FF	On-Demand	Anodyne	NPFFR1	16	41
O=C(CN[C@H](CCO)C(F)(F)F)NCC1(c2ccccc2)CCCC1	ZINC000852085570	FF	On-Demand	Anodyne	KCNA3	41	35
O=C(CN[C@H](CCO)C(F)(F)F)NCC1(c2ccccc2)CCCC1	ZINC000852085570	FF	On-Demand	Anodyne	NPFFR1	16	41
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852085587	ED	On-Demand	Anodyne	CA2	42	51
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852085587	ED	On-Demand	Anodyne	CA1	38	51
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852085587	ED	On-Demand	Anodyne	CA7	41	51
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852085587	ED	On-Demand	Anodyne	CA4	30	46
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852085587	ED	On-Demand	Anodyne	CA12	30	51
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852085587	ED	On-Demand	Anodyne	CA9	32	51
CCNS(=O)(=O)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852085608	FC	On-Demand	Anodyne	SCN2A	17	43
CCNS(=O)(=O)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852085608	FC	On-Demand	Anodyne	SCN10A	19	43
COC(=O)N(C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852085626	DC	On-Demand	Reactive	KCNA3	47	43
COC(=O)N(C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852085626	DC	On-Demand	Reactive	HCN1	73	39
COC(=O)N(C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852085626	DC	On-Demand	Reactive	HCN4	50	38
COC(=O)N(C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852085626	DC	On-Demand	Reactive	KCNK3	48	43
COC(=O)N(C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852085626	DC	On-Demand	Reactive	KCNK9	37	43
CCNS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852085636	GC	On-Demand	Anodyne	ACHE	25	45
CCNS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852085636	GC	On-Demand	Anodyne	HTR4	42	40
CCNS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852085636	GC	On-Demand	Anodyne	SIGMAR1	19	42
CCNS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852085636	GC	On-Demand	Anodyne	SSTR5	59	36
CCNS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852085636	GC	On-Demand	Anodyne	CACNA1I	61	41
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085637	DD	On-Demand	Reactive	KCNA3	50	43
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085637	DD	On-Demand	Reactive	HCN1	70	38
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085637	DD	On-Demand	Reactive	HCN4	52	36
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085637	DD	On-Demand	Reactive	KCNK3	47	43
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085637	DD	On-Demand	Reactive	KCNK9	36	43
CCC(CC)CCCN(C)C(=O)NNC(=O)c1ccccc1OC	ZINC000852085677	EG	On-Demand	Reactive	KCNA3	40	40
CCC(CC)CCCN(C)C(=O)NNC(=O)c1ccccc1OC	ZINC000852085677	EG	On-Demand	Reactive	HCN1	58	37
CCC(CC)CCCN(C)C(=O)NNC(=O)c1ccccc1OC	ZINC000852085677	EG	On-Demand	Reactive	KCNK3	45	40
CCC(CC)CCCN(C)C(=O)NNC(=O)c1ccccc1OC	ZINC000852085677	EG	On-Demand	Reactive	KCNK9	34	40
OCC[C@@H](NCCCOc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852085685	EG	On-Demand	Anodyne	PDS	46	43
OCC[C@H](NCCCOc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000852085686	EG	On-Demand	Anodyne	PDS	46	43
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccc(CN2CCOCC2)cc1	ZINC000852085694	GD	On-Demand	Anodyne	EPHX2	19	43
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccc(CN2CCOCC2)cc1	ZINC000852085695	GD	On-Demand	Anodyne	EPHX2	19	43
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085742	DE	On-Demand	Reactive	DRD4	20	41
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085742	DE	On-Demand	Reactive	SLC6A1	30	40
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085742	DE	On-Demand	Reactive	KCNA3	48	41
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085742	DE	On-Demand	Reactive	HCN1	79	43
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085742	DE	On-Demand	Reactive	HCN4	57	41
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085743	DE	On-Demand	Reactive	DRD4	20	41
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085743	DE	On-Demand	Reactive	SLC6A1	30	40
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085743	DE	On-Demand	Reactive	KCNA3	48	41
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085743	DE	On-Demand	Reactive	HCN1	79	43
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852085743	DE	On-Demand	Reactive	HCN4	57	41
O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)NCCC1SCCS1	ZINC000852085753	GG	On-Demand	Anodyne	SPHK1	31	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccccc3OC)C2)cc1	ZINC000852085770	GD	On-Demand	Reactive	DRD2	21	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccccc3OC)C2)cc1	ZINC000852085770	GD	On-Demand	Reactive	DRD4	26	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccccc3OC)C2)cc1	ZINC000852085770	GD	On-Demand	Reactive	CCR3	16	46
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccccc3OC)C2)cc1	ZINC000852085770	GD	On-Demand	Reactive	KCNA3	41	37
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccccc3OC)C2)cc1	ZINC000852085770	GD	On-Demand	Reactive	CCR8	43	30
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccccc3OC)C2)cc1	ZINC000852085770	GD	On-Demand	Reactive	HCN1	41	38
N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852085781	FD	On-Demand	Reactive	MAP3K12	28	40
N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852085782	FD	On-Demand	Reactive	MAP3K12	28	40
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852085794	FD	On-Demand	Reactive	KCNA3	41	36
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852085794	FD	On-Demand	Reactive	HCN1	67	36
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852085794	FD	On-Demand	Reactive	HCN4	51	35
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1OC)c1ccc(F)cc1	ZINC000852085804	GH	On-Demand	Reactive	ECR	16	40
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1OC)c1ccc(F)cc1	ZINC000852085804	GH	On-Demand	Reactive	KCNA3	43	40
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1OC)c1ccc(F)cc1	ZINC000852085804	GH	On-Demand	Reactive	CACNA1G	39	44
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1OC)c1ccc(F)cc1	ZINC000852085804	GH	On-Demand	Reactive	HCN1	53	37
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1OC)c1ccc(F)cc1	ZINC000852085804	GH	On-Demand	Reactive	KCNK3	58	40
CCC(CC)(CNC(=O)NNC(=O)c1ccccc1OC)c1ccc(F)cc1	ZINC000852085804	GH	On-Demand	Reactive	KCNK9	44	40
COC[C@@H](CCNC(=O)NNC(=O)c1ccccc1OC)OC	ZINC000852085806	EC	On-Demand	Reactive	KCNA3	43	44
COC[C@@H](CCNC(=O)NNC(=O)c1ccccc1OC)OC	ZINC000852085806	EC	On-Demand	Reactive	HCN1	74	38
COC[C@@H](CCNC(=O)NNC(=O)c1ccccc1OC)OC	ZINC000852085806	EC	On-Demand	Reactive	HCN4	51	38
COC[C@@H](CCNC(=O)NNC(=O)c1ccccc1OC)OC	ZINC000852085806	EC	On-Demand	Reactive	KCNK3	53	41
COC[C@@H](CCNC(=O)NNC(=O)c1ccccc1OC)OC	ZINC000852085806	EC	On-Demand	Reactive	KCNK9	45	41
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC[C@H]1COC(C)(C)O1	ZINC000852085815	FD	On-Demand	Anodyne	CA7	26	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)CC[C@@H]1COC(C)(C)O1	ZINC000852085818	FD	On-Demand	Anodyne	CA7	26	44
CC(C)(C)OC(=O)N1CCC2(CCN(C[C@H](O)c3ccccn3)CC2)C1	ZINC000852085821	FF	On-Demand	Anodyne	GPR119	20	42
CC(C)(C)OC(=O)N1CCC2(CCN(C[C@@H](O)c3ccccn3)CC2)C1	ZINC000852085824	FF	On-Demand	Anodyne	GPR119	20	42
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2ccccc2)CC1	ZINC000852085872	FD	On-Demand	Anodyne	DRD4	40	40
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2ccccc2)CC1	ZINC000852085872	FD	On-Demand	Anodyne	ACHE	30	41
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2ccccc2)CC1	ZINC000852085872	FD	On-Demand	Anodyne	SIGMAR1	51	43
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2ccccc2)CC1	ZINC000852085872	FD	On-Demand	Anodyne	FAAH	20	46
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(Cc2ccccc2)CC1	ZINC000852085872	FD	On-Demand	Anodyne	CACNA1G	36	40
C=CCCC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCC1	ZINC000852085876	EG	On-Demand	Reactive	KCNA3	57	47
C=CCCC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCC1	ZINC000852085876	EG	On-Demand	Reactive	HCN1	91	49
C=CCCC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCC1	ZINC000852085876	EG	On-Demand	Reactive	HCN4	65	47
C=CCCC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCC1	ZINC000852085876	EG	On-Demand	Reactive	KCNK3	46	41
C=CCCC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCC1	ZINC000852085876	EG	On-Demand	Reactive	KCNK9	35	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1ccccc1OC	ZINC000852085879	DE	On-Demand	Reactive	KCNA3	46	38
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1ccccc1OC	ZINC000852085879	DE	On-Demand	Reactive	HCN1	68	39
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1ccccc1OC	ZINC000852085879	DE	On-Demand	Reactive	HCN4	52	37
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1ccccc1OC	ZINC000852085879	DE	On-Demand	Reactive	KCNK3	35	42
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)c1ccccc1OC	ZINC000852085879	DE	On-Demand	Reactive	KCNK9	27	42
OCC[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)C(F)(F)F	ZINC000852085892	EE	On-Demand	Anodyne	ADRB2	32	62
OCC[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)C(F)(F)F	ZINC000852085892	EE	On-Demand	Anodyne	ADRB1	28	41
OCC[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)C(F)(F)F	ZINC000852085894	EE	On-Demand	Anodyne	ADRB2	32	62
OCC[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)C(F)(F)F	ZINC000852085894	EE	On-Demand	Anodyne	ADRB1	28	41
OCC[C@H](NC[C@H](O)COc1ccc2ccccc2c1)C(F)(F)F	ZINC000852085896	EE	On-Demand	Anodyne	ADRB2	32	62
OCC[C@H](NC[C@H](O)COc1ccc2ccccc2c1)C(F)(F)F	ZINC000852085896	EE	On-Demand	Anodyne	ADRB1	28	41
OCC[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)C(F)(F)F	ZINC000852085899	EE	On-Demand	Anodyne	ADRB2	32	62
OCC[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)C(F)(F)F	ZINC000852085899	EE	On-Demand	Anodyne	ADRB1	28	41
O=C(CN[C@@H](CCO)C(F)(F)F)NCc1cccnc1	ZINC000852085914	CC	On-Demand	Anodyne	NAMPT	52	41
O=C(CN[C@H](CCO)C(F)(F)F)NCc1cccnc1	ZINC000852085916	CC	On-Demand	Anodyne	NAMPT	52	41
CO[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccccc3)C2)C1	ZINC000852085931	CG	On-Demand	Anodyne	SLC6A3	15	40
CO[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccccc3)C2)C1	ZINC000852085931	CG	On-Demand	Anodyne	SLC18A3	40	40
CO[C@@H]1CC[C@@H](N2CCC[C@H](c3ccccc3)C2)C1	ZINC000852085934	CG	On-Demand	Anodyne	SLC6A3	15	40
CO[C@@H]1CC[C@@H](N2CCC[C@H](c3ccccc3)C2)C1	ZINC000852085934	CG	On-Demand	Anodyne	SLC18A3	40	40
CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cnc4ccccc4n3)CC2)C1	ZINC000852085953	GH	On-Demand	Anodyne	CCR8	40	35
c1ccc(COCCN2CCc3c(nnn3-c3ccccc3)C2)cc1	ZINC000852085971	EF	On-Demand	Anodyne	HTR5A	34	53
O=C(NCCNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)cc1	ZINC000852085973	GD	On-Demand	Anodyne	HTR1F	26	47
O=C(NCCNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)cc1	ZINC000852085973	GD	On-Demand	Anodyne	PLD1	63	43
O=C(NCCNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)cc1	ZINC000852085973	GD	On-Demand	Anodyne	PLD2	63	43
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086025	CE	On-Demand	Reactive	KCNA3	45	48
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086025	CE	On-Demand	Reactive	HCN1	81	42
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086025	CE	On-Demand	Reactive	HCN4	55	42
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086025	CE	On-Demand	Reactive	KCNK3	56	45
CC[C@@H](C)CCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086025	CE	On-Demand	Reactive	KCNK9	47	45
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)C1CC1	ZINC000852086048	DC	On-Demand	Reactive	SLC6A1	54	34
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)C1CC1	ZINC000852086049	DC	On-Demand	Reactive	SLC6A1	54	34
CC(=O)Oc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852086076	DG	On-Demand	Anodyne	DRD4	35	48
CC(=O)Oc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852086076	DG	On-Demand	Anodyne	SLC6A1	60	33
CC(=O)Oc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852086076	DG	On-Demand	Anodyne	LTA4H	53	40
CC(=O)Oc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852086076	DG	On-Demand	Anodyne	HRH3	34	41
CC(=O)Oc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852086076	DG	On-Demand	Anodyne	SIGMAR1	36	43
CC(=O)Oc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852086076	DG	On-Demand	Anodyne	MLNR	55	35
CC(=O)Oc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852086076	DG	On-Demand	Anodyne	MCHR1	23	42
CC(=O)Oc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852086077	DG	On-Demand	Anodyne	DRD4	35	48
CC(=O)Oc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852086077	DG	On-Demand	Anodyne	SLC6A1	60	33
CC(=O)Oc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852086077	DG	On-Demand	Anodyne	LTA4H	53	40
CC(=O)Oc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852086077	DG	On-Demand	Anodyne	HRH3	34	41
CC(=O)Oc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852086077	DG	On-Demand	Anodyne	SIGMAR1	36	43
CC(=O)Oc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852086077	DG	On-Demand	Anodyne	MLNR	55	35
CC(=O)Oc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852086077	DG	On-Demand	Anodyne	MCHR1	23	42
Brc1ncn(CCN2CCC[C@H](c3ccccc3)C2)n1	ZINC000852086097	EF	On-Demand	Anodyne	SLC6A1	60	34
Brc1ncn(CCN2CCC[C@@H](c3ccccc3)C2)n1	ZINC000852086098	EF	On-Demand	Anodyne	SLC6A1	60	34
CC(C)(C)OC(=O)N1CCC2(CCN([C@H](C#N)c3ccccc3)CC2)C1	ZINC000852086125	FH	On-Demand	Mild	PTAFR	40	43
CC(C)(C)OC(=O)N1CCC2(CCN([C@@H](C#N)c3ccccc3)CC2)C1	ZINC000852086126	FH	On-Demand	Mild	PTAFR	40	43
O=C1CC[C@@H](CN2CCC(CO)(c3ccccc3)CC2)O1	ZINC000852086140	CD	On-Demand	Anodyne	SIGMAR1	18	41
O=C1CC[C@H](CN2CCC(CO)(c3ccccc3)CC2)O1	ZINC000852086141	CD	On-Demand	Anodyne	SIGMAR1	18	41
CN(CCOc1ccc(Cl)cc1)C(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086153	FE	On-Demand	Anodyne	UTS2	41	33
CN(CCOc1ccc(Cl)cc1)C(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086154	FE	On-Demand	Anodyne	UTS2	41	33
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852086157	GC	On-Demand	Anodyne	CA2	50	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852086157	GC	On-Demand	Anodyne	FDPS	21	42
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852086157	GC	On-Demand	Anodyne	CA1	41	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852086157	GC	On-Demand	Anodyne	CA7	40	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852086157	GC	On-Demand	Anodyne	CA4	44	41
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852086157	GC	On-Demand	Anodyne	CA12	31	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852086157	GC	On-Demand	Anodyne	CA9	33	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852086157	GC	On-Demand	Anodyne	P96878_MYCTU	16	42
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852086158	GC	On-Demand	Anodyne	CA2	50	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852086158	GC	On-Demand	Anodyne	FDPS	21	42
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852086158	GC	On-Demand	Anodyne	CA1	41	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852086158	GC	On-Demand	Anodyne	CA7	40	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852086158	GC	On-Demand	Anodyne	CA4	44	41
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852086158	GC	On-Demand	Anodyne	CA12	31	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852086158	GC	On-Demand	Anodyne	CA9	33	47
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852086158	GC	On-Demand	Anodyne	P96878_MYCTU	16	42
OCC[C@@H](NC[C@H](O)COc1cccc(Br)c1)C(F)(F)F	ZINC000852086163	FE	On-Demand	Anodyne	ADRB2	20	45
OCC[C@@H](NC[C@H](O)COc1cccc(Br)c1)C(F)(F)F	ZINC000852086163	FE	On-Demand	Anodyne	ADRB1	26	45
OCC[C@H](NC[C@H](O)COc1cccc(Br)c1)C(F)(F)F	ZINC000852086164	FE	On-Demand	Anodyne	ADRB2	20	45
OCC[C@H](NC[C@H](O)COc1cccc(Br)c1)C(F)(F)F	ZINC000852086164	FE	On-Demand	Anodyne	ADRB1	26	45
OCC[C@H](NC[C@@H](O)COc1cccc(Br)c1)C(F)(F)F	ZINC000852086165	FE	On-Demand	Anodyne	ADRB2	20	45
OCC[C@H](NC[C@@H](O)COc1cccc(Br)c1)C(F)(F)F	ZINC000852086165	FE	On-Demand	Anodyne	ADRB1	26	45
OCC[C@@H](NC[C@@H](O)COc1cccc(Br)c1)C(F)(F)F	ZINC000852086166	FE	On-Demand	Anodyne	ADRB2	20	45
OCC[C@@H](NC[C@@H](O)COc1cccc(Br)c1)C(F)(F)F	ZINC000852086166	FE	On-Demand	Anodyne	ADRB1	26	45
OCC[C@@H](NC[C@@H](O)COc1ccccc1F)C(F)(F)F	ZINC000852086174	DD	On-Demand	Anodyne	ADRB2	26	48
OCC[C@@H](NC[C@@H](O)COc1ccccc1F)C(F)(F)F	ZINC000852086174	DD	On-Demand	Anodyne	ADRB1	45	36
OCC[C@H](NC[C@H](O)COc1ccccc1F)C(F)(F)F	ZINC000852086175	DD	On-Demand	Anodyne	ADRB2	26	48
OCC[C@H](NC[C@H](O)COc1ccccc1F)C(F)(F)F	ZINC000852086175	DD	On-Demand	Anodyne	ADRB1	45	36
OCC[C@@H](NC[C@H](O)COc1ccccc1F)C(F)(F)F	ZINC000852086176	DD	On-Demand	Anodyne	ADRB2	26	48
OCC[C@@H](NC[C@H](O)COc1ccccc1F)C(F)(F)F	ZINC000852086176	DD	On-Demand	Anodyne	ADRB1	45	36
OCC[C@H](NC[C@@H](O)COc1ccccc1F)C(F)(F)F	ZINC000852086177	DD	On-Demand	Anodyne	ADRB2	26	48
OCC[C@H](NC[C@@H](O)COc1ccccc1F)C(F)(F)F	ZINC000852086177	DD	On-Demand	Anodyne	ADRB1	45	36
CCNS(=O)(=O)CCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852086246	GD	On-Demand	Anodyne	P2RY14	45	37
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086247	DE	On-Demand	Reactive	KCNA3	42	44
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086247	DE	On-Demand	Reactive	HCN1	74	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086247	DE	On-Demand	Reactive	HCN4	51	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086247	DE	On-Demand	Reactive	KCNK3	57	44
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086247	DE	On-Demand	Reactive	KCNK9	48	44
CC(C)(C)C(=O)NNC(=O)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852086249	GH	On-Demand	Reactive	BDKRB1	46	36
CC(C)(C)C(=O)NNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852086250	GH	On-Demand	Reactive	BDKRB1	46	36
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852086263	EC	On-Demand	Reactive	KCNA3	43	38
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852086263	EC	On-Demand	Reactive	KCNK3	34	41
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)c2ccccc2OC)C1	ZINC000852086263	EC	On-Demand	Reactive	KCNK9	26	41
COC[C@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086270	FD	On-Demand	Reactive	KCNA3	43	38
COC[C@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086270	FD	On-Demand	Reactive	HCN1	49	35
COC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086271	FD	On-Demand	Reactive	KCNA3	43	38
COC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086271	FD	On-Demand	Reactive	HCN1	49	35
CC(C)(C)C(=O)NNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852086273	EC	On-Demand	Reactive	CA2	28	50
CC(C)(C)C(=O)NNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852086273	EC	On-Demand	Reactive	CA1	22	50
CC(C)(C)C(=O)NNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852086273	EC	On-Demand	Reactive	TRPV1	27	44
CC(C)(C)C(=O)NNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852086273	EC	On-Demand	Reactive	CA4	23	43
CC(C)(C)C(=O)NNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852086273	EC	On-Demand	Reactive	CA9	20	43
CNC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCCC1	ZINC000852086276	GD	On-Demand	Reactive	KCNA3	54	45
CNC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCCC1	ZINC000852086276	GD	On-Demand	Reactive	HCN1	91	53
CNC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCCC1	ZINC000852086276	GD	On-Demand	Reactive	HCN4	66	50
CNC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCCC1	ZINC000852086276	GD	On-Demand	Reactive	KCNK3	35	42
CNC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2OC)CCCCC1	ZINC000852086276	GD	On-Demand	Reactive	KCNK9	27	42
CCNS(=O)(=O)CCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852086289	GD	On-Demand	Anodyne	NQO2	22	41
CCNS(=O)(=O)CCNC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852086290	GD	On-Demand	Anodyne	NQO2	22	41
CCNS(=O)(=O)CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852086314	FD	On-Demand	Anodyne	MTNR1A	39	46
CCNS(=O)(=O)CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852086314	FD	On-Demand	Anodyne	MTNR1B	26	46
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2ccccn2)C1	ZINC000852086335	EG	On-Demand	Mild	MAP3K12	28	40
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2ccccn2)C1	ZINC000852086337	EG	On-Demand	Mild	MAP3K12	28	40
CCNS(=O)(=O)CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852086358	GD	On-Demand	Anodyne	KCNH2	41	39
c1ccc(CN2CCC3(CC2)CCN(Cc2cnon2)C3)cc1	ZINC000852086374	DF	On-Demand	Anodyne	DRD4	17	42
c1ccc(CN2CCC3(CC2)CCN(Cc2cnon2)C3)cc1	ZINC000852086374	DF	On-Demand	Anodyne	SIGMAR1	57	46
COCCN(CCF)C(=O)NNC(=O)c1ccccc1OC	ZINC000852086377	DC	On-Demand	Reactive	KCNA3	41	39
COCCN(CCF)C(=O)NNC(=O)c1ccccc1OC	ZINC000852086377	DC	On-Demand	Reactive	KCNK3	47	42
COCCN(CCF)C(=O)NNC(=O)c1ccccc1OC	ZINC000852086377	DC	On-Demand	Reactive	KCNK9	40	42
O=C1CC[C@@H](CN2CCC[C@@H](c3ccccc3)C2)O1	ZINC000852086380	CF	On-Demand	Anodyne	SLC6A1	50	33
O=C1CC[C@@H](CN2CCC[C@H](c3ccccc3)C2)O1	ZINC000852086382	CF	On-Demand	Anodyne	SLC6A1	50	33
O=C1CC[C@H](CN2CCC[C@@H](c3ccccc3)C2)O1	ZINC000852086383	CF	On-Demand	Anodyne	SLC6A1	50	33
O=C1CC[C@H](CN2CCC[C@H](c3ccccc3)C2)O1	ZINC000852086385	CF	On-Demand	Anodyne	SLC6A1	50	33
CCNS(=O)(=O)CCNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852086396	FC	On-Demand	Anodyne	NQO2	17	42
CCNS(=O)(=O)CCNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852086396	FC	On-Demand	Anodyne	MTNR1A	22	42
CCNS(=O)(=O)CCNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852086399	GD	On-Demand	Anodyne	MDM2	121	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	ACE	31	47
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	MME	106	47
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	ANPEP	69	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	TACR1	16	42
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CMA1	60	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CTRA_BOVIN	49	38
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	FCER2	69	33
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	PAPA1_CARPA	48	38
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CYSP_TRYCR	50	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CTSL	37	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	NPFFR2	44	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CTRB1	41	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CAPNS1	50	30
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	HLA-DRB1	46	36
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CAPN1	44	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CTRC	42	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	ACE2	73	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	FPR1	57	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	CTRB_BOVIN	56	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	BLA1_STEMA	63	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	QRFPR	44	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086402	ED	On-Demand	Anodyne	NPFFR1	62	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	ACE	31	47
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	MME	106	47
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	ANPEP	69	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	TACR1	16	42
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CMA1	60	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CTRA_BOVIN	49	38
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	FCER2	69	33
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	PAPA1_CARPA	48	38
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CYSP_TRYCR	50	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CTSL	37	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	NPFFR2	44	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CTRB1	41	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CAPNS1	50	30
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	HLA-DRB1	46	36
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CAPN1	44	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CTRC	42	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	ACE2	73	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	FPR1	57	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	CTRB_BOVIN	56	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	BLA1_STEMA	63	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	QRFPR	44	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852086404	ED	On-Demand	Anodyne	NPFFR1	62	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	ACE	31	47
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	MME	106	47
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	ANPEP	69	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	TACR1	16	42
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CMA1	60	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CTRA_BOVIN	49	38
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	FCER2	69	33
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	PAPA1_CARPA	48	38
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CYSP_TRYCR	50	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CTSL	37	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	NPFFR2	44	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CTRB1	41	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CAPNS1	50	30
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	HLA-DRB1	46	36
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CAPN1	44	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CTRC	42	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	ACE2	73	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	FPR1	57	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	CTRB_BOVIN	56	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	BLA1_STEMA	63	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	QRFPR	44	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086405	ED	On-Demand	Anodyne	NPFFR1	62	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	ACE	31	47
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	MME	106	47
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	ANPEP	69	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	TACR1	16	42
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CMA1	60	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CTRA_BOVIN	49	38
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	FCER2	69	33
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	PAPA1_CARPA	48	38
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CYSP_TRYCR	50	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CTSL	37	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	NPFFR2	44	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CTRB1	41	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CAPNS1	50	30
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	HLA-DRB1	46	36
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CAPN1	44	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CTRC	42	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	ACE2	73	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	FPR1	57	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	CTRB_BOVIN	56	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	BLA1_STEMA	63	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	QRFPR	44	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852086407	ED	On-Demand	Anodyne	NPFFR1	62	37
C=CCOCCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086424	DD	On-Demand	Reactive	KCNA3	51	44
C=CCOCCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086424	DD	On-Demand	Reactive	HCN1	68	38
C=CCOCCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086424	DD	On-Demand	Reactive	HCN4	50	36
C=CCOCCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086424	DD	On-Demand	Reactive	KCNK3	46	40
C=CCOCCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086424	DD	On-Demand	Reactive	KCNK9	35	40
C=CCCSCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086426	DD	On-Demand	Reactive	KCNA3	47	40
C=CCCSCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086426	DD	On-Demand	Reactive	HCN1	54	37
C=CCCSCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086426	DD	On-Demand	Reactive	KCNK3	45	40
C=CCCSCCNC(=O)NNC(=O)c1ccccc1OC	ZINC000852086426	DD	On-Demand	Reactive	KCNK9	34	40
CC(C)c1cccc(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852086438	DF	On-Demand	Anodyne	KCNK3	50	34
CC(C)c1cccc(NC(=O)CN[C@H](CCO)C(F)(F)F)c1	ZINC000852086438	DF	On-Demand	Anodyne	KCNK9	44	34
CC(C)c1cccc(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852086440	DF	On-Demand	Anodyne	KCNK3	50	34
CC(C)c1cccc(NC(=O)CN[C@@H](CCO)C(F)(F)F)c1	ZINC000852086440	DF	On-Demand	Anodyne	KCNK9	44	34
CN1C[C@@H](N(C)C[C@@](O)(C(N)=O)c2ccccc2)CCC1=O	ZINC000852086442	DB	On-Demand	Anodyne	CYP2J2	45	32
CN1C[C@H](N(C)C[C@@](O)(C(N)=O)c2ccccc2)CCC1=O	ZINC000852086444	DB	On-Demand	Anodyne	CYP2J2	45	32
CN1C[C@H](N(C)C[C@](O)(C(N)=O)c2ccccc2)CCC1=O	ZINC000852086445	DB	On-Demand	Anodyne	CYP2J2	45	32
CN1C[C@@H](N(C)C[C@](O)(C(N)=O)c2ccccc2)CCC1=O	ZINC000852086447	DB	On-Demand	Anodyne	CYP2J2	45	32
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086450	FD	On-Demand	Reactive	KCNA3	49	41
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086450	FD	On-Demand	Reactive	HCN1	77	39
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086450	FD	On-Demand	Reactive	HCN4	57	38
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086452	FD	On-Demand	Reactive	KCNA3	49	41
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086452	FD	On-Demand	Reactive	HCN1	77	39
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086452	FD	On-Demand	Reactive	HCN4	57	38
O=C(NCCNC(=O)c1ccc(F)cc1)N[C@@H]1C=CCC1	ZINC000852086487	CD	On-Demand	Anodyne	CCR3	17	41
O=C(NCCNC(=O)c1ccc(F)cc1)N[C@@H]1C=CCC1	ZINC000852086487	CD	On-Demand	Anodyne	SSTR3	18	40
O=C(NCCNC(=O)c1ccc(F)cc1)N[C@H]1C=CCC1	ZINC000852086488	CD	On-Demand	Anodyne	CCR3	17	41
O=C(NCCNC(=O)c1ccc(F)cc1)N[C@H]1C=CCC1	ZINC000852086488	CD	On-Demand	Anodyne	SSTR3	18	40
CO[C@@H]1CC[C@@H](N(C)CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852086498	ED	On-Demand	Anodyne	CA2	18	48
CO[C@@H]1CC[C@@H](N(C)CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852086498	ED	On-Demand	Anodyne	CA1	19	48
CO[C@@H]1CC[C@@H](N(C)CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852086498	ED	On-Demand	Anodyne	CA7	28	48
CO[C@@H]1CC[C@@H](N(C)CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852086498	ED	On-Demand	Anodyne	CA12	18	48
CO[C@@H]1CC[C@@H](N(C)CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852086498	ED	On-Demand	Anodyne	CA9	21	48
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852086538	DD	On-Demand	Reactive	BIRC2	25	42
CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852086539	DD	On-Demand	Reactive	BIRC2	25	42
Cc1cc(O)nc(CN2CCC[C@@H](c3ccccn3)C2)n1	ZINC000852086557	CE	On-Demand	Anodyne	MAP3K12	30	41
Cc1cc(O)nc(CN2CCC[C@H](c3ccccn3)C2)n1	ZINC000852086558	CE	On-Demand	Anodyne	MAP3K12	30	41
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852086585	FE	On-Demand	Reactive	DRD4	25	63
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852086585	FE	On-Demand	Reactive	MAP3K12	32	43
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852086585	FE	On-Demand	Reactive	KCNK3	55	37
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852086585	FE	On-Demand	Reactive	KCNK9	43	37
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852086586	FE	On-Demand	Reactive	DRD4	25	63
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852086586	FE	On-Demand	Reactive	MAP3K12	32	43
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852086586	FE	On-Demand	Reactive	KCNK3	55	37
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852086586	FE	On-Demand	Reactive	KCNK9	43	37
COCc1csc(CNC(=O)NNC(=O)c2ccccc2OC)c1	ZINC000852086587	EE	On-Demand	Reactive	KCNA3	48	41
COCc1csc(CNC(=O)NNC(=O)c2ccccc2OC)c1	ZINC000852086587	EE	On-Demand	Reactive	HCN1	74	41
COCc1csc(CNC(=O)NNC(=O)c2ccccc2OC)c1	ZINC000852086587	EE	On-Demand	Reactive	HCN4	50	39
COCc1csc(CNC(=O)NNC(=O)c2ccccc2OC)c1	ZINC000852086587	EE	On-Demand	Reactive	KCNK3	53	42
COCc1csc(CNC(=O)NNC(=O)c2ccccc2OC)c1	ZINC000852086587	EE	On-Demand	Reactive	KCNK9	40	42
C#C[C@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086601	ED	On-Demand	Reactive	KCNA3	40	36
C#C[C@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086601	ED	On-Demand	Reactive	KCNK3	40	40
C#C[C@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086601	ED	On-Demand	Reactive	KCNK9	35	40
C#C[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086602	ED	On-Demand	Reactive	KCNA3	40	36
C#C[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086602	ED	On-Demand	Reactive	KCNK3	40	40
C#C[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CCOCC1	ZINC000852086602	ED	On-Demand	Reactive	KCNK9	35	40
Fc1cccc(CN2CCC3(CCN(Cc4ccccc4)CC3)C2)n1	ZINC000852086618	EH	On-Demand	Anodyne	DRD4	18	42
Fc1cccc(CN2CCC3(CCN(Cc4ccccc4)CC3)C2)n1	ZINC000852086618	EH	On-Demand	Anodyne	SIGMAR1	60	46
NC(=O)[C@@](O)(CN1CCC[C@H](c2ccccc2)C1)c1ccccc1	ZINC000852086626	DE	On-Demand	Anodyne	SLC6A1	87	37
NC(=O)[C@@](O)(CN1CCC[C@H](c2ccccc2)C1)c1ccccc1	ZINC000852086626	DE	On-Demand	Anodyne	CHRM3	43	39
NC(=O)[C@@](O)(CN1CCC[C@H](c2ccccc2)C1)c1ccccc1	ZINC000852086626	DE	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CCC[C@H](c2ccccc2)C1)c1ccccc1	ZINC000852086627	DE	On-Demand	Anodyne	SLC6A1	87	37
NC(=O)[C@](O)(CN1CCC[C@H](c2ccccc2)C1)c1ccccc1	ZINC000852086627	DE	On-Demand	Anodyne	CHRM3	43	39
NC(=O)[C@](O)(CN1CCC[C@H](c2ccccc2)C1)c1ccccc1	ZINC000852086627	DE	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CCC[C@@H](c2ccccc2)C1)c1ccccc1	ZINC000852086628	DE	On-Demand	Anodyne	SLC6A1	87	37
NC(=O)[C@](O)(CN1CCC[C@@H](c2ccccc2)C1)c1ccccc1	ZINC000852086628	DE	On-Demand	Anodyne	CHRM3	43	39
NC(=O)[C@](O)(CN1CCC[C@@H](c2ccccc2)C1)c1ccccc1	ZINC000852086628	DE	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@@](O)(CN1CCC[C@@H](c2ccccc2)C1)c1ccccc1	ZINC000852086629	DE	On-Demand	Anodyne	SLC6A1	87	37
NC(=O)[C@@](O)(CN1CCC[C@@H](c2ccccc2)C1)c1ccccc1	ZINC000852086629	DE	On-Demand	Anodyne	CHRM3	43	39
NC(=O)[C@@](O)(CN1CCC[C@@H](c2ccccc2)C1)c1ccccc1	ZINC000852086629	DE	On-Demand	Anodyne	CYP2J2	45	32
O[C@@H](CN1CCC[C@@H](c2ccccc2)C1)c1ccccn1	ZINC000852086640	CF	On-Demand	Anodyne	SLC18A3	34	43
O[C@H](CN1CCC[C@H](c2ccccc2)C1)c1ccccn1	ZINC000852086641	CF	On-Demand	Anodyne	SLC18A3	34	43
O[C@H](CN1CCC[C@@H](c2ccccc2)C1)c1ccccn1	ZINC000852086642	CF	On-Demand	Anodyne	SLC18A3	34	43
O[C@@H](CN1CCC[C@H](c2ccccc2)C1)c1ccccn1	ZINC000852086643	CF	On-Demand	Anodyne	SLC18A3	34	43
CC(C)(C)OC(=O)N1CCC2(CCN(CCc3ccc(C#N)cc3)CC2)C1	ZINC000852086665	FH	On-Demand	Mild	GPR119	18	44
CC(C)(C)OC(=O)N1CCC2(CCN(CCc3ccc(C#N)cc3)CC2)C1	ZINC000852086665	FH	On-Demand	Mild	KCNJ1	33	49
O=C(CN[C@H](CCO)C(F)(F)F)Nc1ccccc1N1CCCC1=O	ZINC000852086668	FD	On-Demand	Anodyne	KCNQ2	66	40
O=C(CN[C@@H](CCO)C(F)(F)F)Nc1ccccc1N1CCCC1=O	ZINC000852086669	FD	On-Demand	Anodyne	KCNQ2	66	40
O=C1CCC2=C(CCN(C(=O)NCCNC(=O)c3ccc(F)cc3)C2)N1	ZINC000852086695	FD	On-Demand	Anodyne	PLD2	48	42
O=C(CCN1CCC[C@H](c2ccccn2)C1)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000852086815	GD	On-Demand	Anodyne	SLC6A1	45	32
O=C(CCN1CCC[C@@H](c2ccccn2)C1)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000852086817	GD	On-Demand	Anodyne	SLC6A1	45	32
c1ccc([C@@H]2CCCN(Cc3cscn3)C2)nc1	ZINC000852086833	CF	On-Demand	Anodyne	SCN5A	45	37
c1ccc([C@H]2CCCN(Cc3cscn3)C2)nc1	ZINC000852086835	CF	On-Demand	Anodyne	SCN5A	45	37
CCSC1(CNC(=O)NNC(=O)c2ccccc2OC)CC1	ZINC000852086878	DD	On-Demand	Reactive	KCNA3	57	48
CCSC1(CNC(=O)NNC(=O)c2ccccc2OC)CC1	ZINC000852086878	DD	On-Demand	Reactive	HCN1	90	48
CCSC1(CNC(=O)NNC(=O)c2ccccc2OC)CC1	ZINC000852086878	DD	On-Demand	Reactive	HCN4	63	46
CCSC1(CNC(=O)NNC(=O)c2ccccc2OC)CC1	ZINC000852086878	DD	On-Demand	Reactive	KCNK3	61	45
CCSC1(CNC(=O)NNC(=O)c2ccccc2OC)CC1	ZINC000852086878	DD	On-Demand	Reactive	KCNK9	47	45
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086881	GG	On-Demand	Anodyne	SLC6A1	53	32
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086881	GG	On-Demand	Anodyne	PRKDC	53	37
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086881	GG	On-Demand	Anodyne	PIK3CA	45	38
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086881	GG	On-Demand	Anodyne	CHRNA7	17	52
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086881	GG	On-Demand	Anodyne	PRNP	54	42
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086881	GG	On-Demand	Anodyne	MTOR	80	38
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086881	GG	On-Demand	Anodyne	STAT6	63	36
O=C(CCN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086881	GG	On-Demand	Anodyne	DGAT1	18	41
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086883	GG	On-Demand	Anodyne	SLC6A1	53	32
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086883	GG	On-Demand	Anodyne	PRKDC	53	37
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086883	GG	On-Demand	Anodyne	PIK3CA	45	38
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086883	GG	On-Demand	Anodyne	CHRNA7	17	52
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086883	GG	On-Demand	Anodyne	PRNP	54	42
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086883	GG	On-Demand	Anodyne	MTOR	80	38
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086883	GG	On-Demand	Anodyne	STAT6	63	36
O=C(CCN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852086883	GG	On-Demand	Anodyne	DGAT1	18	41
CCNS(=O)(=O)CCNC(=O)NCC(CC)(CC)c1ccc(F)cc1	ZINC000852086884	FE	On-Demand	Anodyne	CACNA1G	36	43
COC1CC(CCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000852086886	FC	On-Demand	Anodyne	HTR4	30	41
CC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CC1	ZINC000852086899	CD	On-Demand	Reactive	KCNA3	49	42
CC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CC1	ZINC000852086899	CD	On-Demand	Reactive	HCN1	75	38
CC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CC1	ZINC000852086899	CD	On-Demand	Reactive	HCN4	53	38
CC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CC1	ZINC000852086899	CD	On-Demand	Reactive	KCNK3	56	44
CC[C@@H](NC(=O)NNC(=O)c1ccccc1OC)C1CC1	ZINC000852086899	CD	On-Demand	Reactive	KCNK9	47	44
CC(C)(C)OC(=O)N1CC2(C1)CN([C@@H](C#N)c1ccccc1)CCO2	ZINC000852086903	EF	On-Demand	Mild	PTAFR	33	40
CC(C)(C)OC(=O)N1CC2(C1)CN([C@H](C#N)c1ccccc1)CCO2	ZINC000852086904	EF	On-Demand	Mild	PTAFR	33	40
CCC(CC)(CNC(=O)NNC(=O)C(C)(C)C)c1ccc(F)cc1	ZINC000852086930	EG	On-Demand	Reactive	CACNA1G	39	46
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2ccccc2OC)cc1F	ZINC000852086931	GG	On-Demand	Reactive	KCNA3	43	35
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2ccccc2OC)cc1F	ZINC000852086931	GG	On-Demand	Reactive	HCN1	70	40
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2ccccc2OC)cc1F	ZINC000852086931	GG	On-Demand	Reactive	HCN4	53	38
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2ccccc2OC)cc1F	ZINC000852086931	GG	On-Demand	Reactive	ACKR3	63	33
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086934	EF	On-Demand	Reactive	KCNA3	48	44
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086934	EF	On-Demand	Reactive	HCN1	44	37
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086935	EF	On-Demand	Reactive	KCNA3	48	44
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086935	EF	On-Demand	Reactive	HCN1	44	37
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086936	EF	On-Demand	Reactive	KCNA3	48	44
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086936	EF	On-Demand	Reactive	HCN1	44	37
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086937	EF	On-Demand	Reactive	KCNA3	48	44
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccccc1OC	ZINC000852086937	EF	On-Demand	Reactive	HCN1	44	37
C#CCOCCN1CCC[C@H](c2ccccc2)C1	ZINC000852087013	BF	On-Demand	Mild	SLC6A1	143	47
C#CCOCCN1CCC[C@H](c2ccccc2)C1	ZINC000852087013	BF	On-Demand	Mild	SIGMAR1	21	45
C#CCOCCN1CCC[C@@H](c2ccccc2)C1	ZINC000852087014	BF	On-Demand	Mild	SLC6A1	143	47
C#CCOCCN1CCC[C@@H](c2ccccc2)C1	ZINC000852087014	BF	On-Demand	Mild	SIGMAR1	21	45
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnon1	ZINC000852087035	DC	On-Demand	Anodyne	CA2	20	48
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnon1	ZINC000852087035	DC	On-Demand	Anodyne	CA1	21	48
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnon1	ZINC000852087035	DC	On-Demand	Anodyne	CA7	29	48
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnon1	ZINC000852087035	DC	On-Demand	Anodyne	CA14	15	40
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnon1	ZINC000852087035	DC	On-Demand	Anodyne	CA12	21	48
CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnon1	ZINC000852087035	DC	On-Demand	Anodyne	CA9	24	48
CC(C)(C)OC(=O)N1CCC2(CCN(CC(=O)Nc3cnccn3)CC2)C1	ZINC000852087121	GE	On-Demand	Anodyne	GPR119	17	43
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC(=O)O1	ZINC000852087126	EC	On-Demand	Anodyne	CA7	27	45
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC(=O)O1	ZINC000852087130	EC	On-Demand	Anodyne	CA7	27	45
CCCS(=O)(=O)CCN1CCC[C@H](c2ccccn2)C1	ZINC000852087158	CE	On-Demand	Anodyne	SLC6A1	55	33
CCCS(=O)(=O)CCN1CCC[C@@H](c2ccccn2)C1	ZINC000852087159	CE	On-Demand	Anodyne	SLC6A1	55	33
CCNS(=O)(=O)CCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852087173	EC	On-Demand	Anodyne	CACNA1I	48	32
O[C@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccc(F)cc1	ZINC000852087178	DG	On-Demand	Anodyne	SLC6A3	25	44
O[C@H](CN1CCC[C@H](c2ccccn2)C1)c1ccc(F)cc1	ZINC000852087179	DG	On-Demand	Anodyne	SLC6A3	25	44
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1ccc(F)cc1	ZINC000852087180	DG	On-Demand	Anodyne	SLC6A3	25	44
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1ccc(F)cc1	ZINC000852087181	DG	On-Demand	Anodyne	SLC6A3	25	44
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1ccc(F)cc1	ZINC000852087212	FD	On-Demand	Reactive	DRD4	20	44
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1ccc(F)cc1	ZINC000852087213	FD	On-Demand	Reactive	DRD4	20	44
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852087219	GD	On-Demand	Anodyne	HTR1A	21	49
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852087219	GD	On-Demand	Anodyne	HTR2A	16	44
O=C(CN[C@@H](CCO)C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852087219	GD	On-Demand	Anodyne	SSTR1	17	42
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852087223	GD	On-Demand	Anodyne	HTR1A	21	49
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852087223	GD	On-Demand	Anodyne	HTR2A	16	44
O=C(CN[C@H](CCO)C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852087223	GD	On-Demand	Anodyne	SSTR1	17	42
N#Cc1ccc(CCN2CCc3c(nnn3-c3ccccc3)C2)cc1	ZINC000852087228	EF	On-Demand	Mild	KCNJ1	18	48
c1ccc([C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)nc1	ZINC000852087236	CG	On-Demand	Anodyne	DRD4	16	77
c1ccc([C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)nc1	ZINC000852087236	CG	On-Demand	Anodyne	CXCR4	38	40
c1ccc([C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)nc1	ZINC000852087238	CG	On-Demand	Anodyne	DRD4	16	77
c1ccc([C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)nc1	ZINC000852087238	CG	On-Demand	Anodyne	CXCR4	38	40
COc1ccc(N2CCN(C(=O)CN3CCC[C@H](c4ccccn4)C3)CC2)cc1	ZINC000852087258	GF	On-Demand	Clean	DRD4	29	44
COc1ccc(N2CCN(C(=O)CN3CCC[C@H](c4ccccn4)C3)CC2)cc1	ZINC000852087258	GF	On-Demand	Clean	CPT1A	51	39
COc1ccc(N2CCN(C(=O)CN3CCC[C@H](c4ccccn4)C3)CC2)cc1	ZINC000852087258	GF	On-Demand	Clean	MAPK1	23	43
COc1ccc(N2CCN(C(=O)CN3CCC[C@H](c4ccccn4)C3)CC2)cc1	ZINC000852087258	GF	On-Demand	Clean	SSTR1	48	38
COc1ccc(N2CCN(C(=O)CN3CCC[C@H](c4ccccn4)C3)CC2)cc1	ZINC000852087258	GF	On-Demand	Clean	MAP3K12	28	40
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](c4ccccn4)C3)CC2)cc1	ZINC000852087260	GF	On-Demand	Clean	DRD4	29	44
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](c4ccccn4)C3)CC2)cc1	ZINC000852087260	GF	On-Demand	Clean	CPT1A	51	39
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](c4ccccn4)C3)CC2)cc1	ZINC000852087260	GF	On-Demand	Clean	MAPK1	23	43
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](c4ccccn4)C3)CC2)cc1	ZINC000852087260	GF	On-Demand	Clean	SSTR1	48	38
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](c4ccccn4)C3)CC2)cc1	ZINC000852087260	GF	On-Demand	Clean	MAP3K12	28	40
O[C@@H]1CCC[C@H]1N1CCc2c(nnn2-c2ccccc2)C1	ZINC000852087287	CD	On-Demand	Anodyne	SLC18A3	45	46
CCc1ccc([C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C2)cc1	ZINC000852087292	EE	On-Demand	Anodyne	CCR5	68	33
CCc1ccc([C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C2)cc1	ZINC000852087292	EE	On-Demand	Anodyne	CYP2J2	54	45
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087293	FE	On-Demand	Reactive	DRD4	23	50
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087293	FE	On-Demand	Reactive	GRM5	22	47
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087293	FE	On-Demand	Reactive	CCR2	21	40
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087293	FE	On-Demand	Reactive	MCHR1	16	45
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087293	FE	On-Demand	Reactive	CACNA1I	45	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087295	FE	On-Demand	Reactive	DRD4	23	50
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087295	FE	On-Demand	Reactive	GRM5	22	47
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087295	FE	On-Demand	Reactive	CCR2	21	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087295	FE	On-Demand	Reactive	MCHR1	16	45
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852087295	FE	On-Demand	Reactive	CACNA1I	45	40
CCc1ccc([C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C2)cc1	ZINC000852087297	EE	On-Demand	Anodyne	CCR5	68	33
CCc1ccc([C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C2)cc1	ZINC000852087297	EE	On-Demand	Anodyne	CYP2J2	54	45
O=C(CN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087300	DG	On-Demand	Anodyne	FKBP1A	46	39
O=C(CN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087300	DG	On-Demand	Anodyne	SLC6A1	51	36
O=C(CN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087300	DG	On-Demand	Anodyne	GRIN2B	25	44
O=C(CN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087300	DG	On-Demand	Anodyne	CPT1A	58	38
O=C(CN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087300	DG	On-Demand	Anodyne	PREP	52	40
O=C(CN1CCC[C@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087300	DG	On-Demand	Anodyne	SLC12A5	59	36
O=C(CN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087303	DG	On-Demand	Anodyne	FKBP1A	46	39
O=C(CN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087303	DG	On-Demand	Anodyne	SLC6A1	51	36
O=C(CN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087303	DG	On-Demand	Anodyne	GRIN2B	25	44
O=C(CN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087303	DG	On-Demand	Anodyne	CPT1A	58	38
O=C(CN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087303	DG	On-Demand	Anodyne	PREP	52	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)OCc1ccccc1	ZINC000852087303	DG	On-Demand	Anodyne	SLC12A5	59	36
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H]1COC(C)(C)O1	ZINC000852087316	EC	On-Demand	Anodyne	CA7	26	44
CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H]1COC(C)(C)O1	ZINC000852087318	EC	On-Demand	Anodyne	CA7	26	44
CCNS(=O)(=O)CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852087319	GD	On-Demand	Anodyne	SCD1	17	41
CCNS(=O)(=O)CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852087319	GD	On-Demand	Anodyne	SCD	18	40
CCNS(=O)(=O)CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852087319	GD	On-Demand	Anodyne	TRPM8	16	50
O=C(NCCCc1cccc(F)c1)NCc1ncccn1	ZINC000852087323	CE	On-Demand	Anodyne	MTNR1A	20	40
O=C(NCCCc1cccc(F)c1)NCc1ncccn1	ZINC000852087323	CE	On-Demand	Anodyne	MTNR1B	24	40
O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852087327	FD	On-Demand	Bother	TRAR	27	44
O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852087329	FD	On-Demand	Bother	TRAR	27	44
C[C@@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852087356	EE	On-Demand	Anodyne	PRCP	15	42
C[C@@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852087356	EE	On-Demand	Anodyne	UTS2	43	34
C[C@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852087358	EE	On-Demand	Anodyne	PRCP	15	42
C[C@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852087358	EE	On-Demand	Anodyne	UTS2	43	34
C[C@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852087360	EE	On-Demand	Anodyne	PRCP	15	42
C[C@H](NC(=O)CN[C@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852087360	EE	On-Demand	Anodyne	UTS2	43	34
C[C@@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852087361	EE	On-Demand	Anodyne	PRCP	15	42
C[C@@H](NC(=O)CN[C@@H](CCO)C(F)(F)F)c1ccc(Cl)cc1	ZINC000852087361	EE	On-Demand	Anodyne	UTS2	43	34
O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852087377	GD	On-Demand	Bother	TRAR	27	45
C[C@@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C1CCCCC1	ZINC000852087379	FE	On-Demand	Anodyne	EPHX2	15	40
CCCCCNC(=O)CN[C@H](CCO)C(F)(F)F	ZINC000852087406	CD	On-Demand	Anodyne	ASAH1	79	36
CCCCCNC(=O)CN[C@@H](CCO)C(F)(F)F	ZINC000852087407	CD	On-Demand	Anodyne	ASAH1	79	36
CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOC(F)F	ZINC000852087408	DC	On-Demand	Anodyne	CA2	45	59
CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOC(F)F	ZINC000852087408	DC	On-Demand	Anodyne	CA1	37	59
CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOC(F)F	ZINC000852087408	DC	On-Demand	Anodyne	CA7	48	59
CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOC(F)F	ZINC000852087408	DC	On-Demand	Anodyne	CA4	24	46
CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOC(F)F	ZINC000852087408	DC	On-Demand	Anodyne	CA14	24	40
CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOC(F)F	ZINC000852087408	DC	On-Demand	Anodyne	CA12	30	59
CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOC(F)F	ZINC000852087408	DC	On-Demand	Anodyne	CA9	37	59
CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOC(F)F	ZINC000852087408	DC	On-Demand	Anodyne	P96878_MYCTU	17	47
CCc1ccc([C@@H]2CCN(Cc3cccc(F)n3)C2)cc1	ZINC000852087412	CH	On-Demand	Anodyne	CCR5	59	33
CO[C@@H]1CC[C@@H](N2CCC3(CCN(Cc4ccccc4)CC3)C2)C1	ZINC000852087423	EH	On-Demand	Anodyne	CHRM2	15	40
CO[C@@H]1CC[C@@H](N2CCC3(CCN(Cc4ccccc4)CC3)C2)C1	ZINC000852087423	EH	On-Demand	Anodyne	ACHE	22	42
CO[C@@H]1CC[C@@H](N2CCC3(CCN(Cc4ccccc4)CC3)C2)C1	ZINC000852087423	EH	On-Demand	Anodyne	SIGMAR1	77	45
N#Cc1cc(F)ccc1CN1CCC[C@H](c2ccccn2)C1	ZINC000852087439	CG	On-Demand	Mild	DPP4	15	40
N#Cc1cc(F)ccc1CN1CCC[C@@H](c2ccccn2)C1	ZINC000852087440	CG	On-Demand	Mild	DPP4	15	40
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852087443	GF	On-Demand	Anodyne	DRD4	24	47
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852087443	GF	On-Demand	Anodyne	CNR2	20	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852087444	GF	On-Demand	Anodyne	DRD4	24	47
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852087444	GF	On-Demand	Anodyne	CNR2	20	40
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(O)cc1	ZINC000852087449	DF	On-Demand	Anodyne	DRD4	15	57
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(O)cc1	ZINC000852087449	DF	On-Demand	Anodyne	GRIN2B	17	40
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(O)cc1	ZINC000852087449	DF	On-Demand	Anodyne	CHRNA7	22	42
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(O)cc1	ZINC000852087449	DF	On-Demand	Anodyne	IMDH_CRYPV	39	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(O)cc1	ZINC000852087450	DF	On-Demand	Anodyne	DRD4	15	57
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(O)cc1	ZINC000852087450	DF	On-Demand	Anodyne	GRIN2B	17	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(O)cc1	ZINC000852087450	DF	On-Demand	Anodyne	CHRNA7	22	42
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(O)cc1	ZINC000852087450	DF	On-Demand	Anodyne	IMDH_CRYPV	39	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1cccnc1Cl	ZINC000852087456	EF	On-Demand	Anodyne	G2YM83_BOTF4	58	34
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1cccnc1Cl	ZINC000852087457	EF	On-Demand	Anodyne	G2YM83_BOTF4	58	34
C#CCNC(=O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852087463	CD	On-Demand	Mild	SLC6A1	49	33
C#CCNC(=O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852087464	CD	On-Demand	Mild	SLC6A1	49	33
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	HTR1A	47	47
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	DRD2	53	43
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	DRD4	33	44
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	ACHE	41	56
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	HRH2	23	41
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	ADRA1D	30	42
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	HTR2A	34	53
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	ADRA1A	47	42
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	HRH1	16	50
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	ADRA1B	29	44
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	DRD3	61	43
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	HTR4	51	38
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	GRIN2B	88	47
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	HTR7	36	42
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	HRH3	19	45
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	SIGMAR1	49	52
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	NPY1R	18	46
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	BCHE	19	56
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	CCR3	82	67
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	SCN2A	15	58
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	CCR5	17	43
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	UTS2R	16	40
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	HNMT	47	35
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	CYP2J2	45	31
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852087494	GG	On-Demand	Anodyne	NAMPT	23	40
O[C@H](CN1CCC[C@@H](c2ccccn2)C1)c1cccc(C(F)(F)F)c1	ZINC000852087495	FI	On-Demand	Anodyne	CCR2	40	39
O[C@H](CN1CCC[C@H](c2ccccn2)C1)c1cccc(C(F)(F)F)c1	ZINC000852087496	FI	On-Demand	Anodyne	CCR2	40	39
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1cccc(C(F)(F)F)c1	ZINC000852087497	FI	On-Demand	Anodyne	CCR2	40	39
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1cccc(C(F)(F)F)c1	ZINC000852087498	FI	On-Demand	Anodyne	CCR2	40	39
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1ccccc1Cl	ZINC000852087510	FE	On-Demand	Reactive	DRD4	18	50
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1ccccc1Cl	ZINC000852087510	FE	On-Demand	Reactive	SLC6A1	74	37
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1ccccc1Cl	ZINC000852087511	FE	On-Demand	Reactive	DRD4	18	50
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1ccccc1Cl	ZINC000852087511	FE	On-Demand	Reactive	SLC6A1	74	37
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087525	FD	On-Demand	Anodyne	CHRM1	21	51
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087525	FD	On-Demand	Anodyne	DRD4	16	48
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087525	FD	On-Demand	Anodyne	P2RY12	83	39
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087525	FD	On-Demand	Anodyne	GRIN2B	24	42
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087525	FD	On-Demand	Anodyne	SSTR5	42	37
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087525	FD	On-Demand	Anodyne	EPHX2	24	42
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087525	FD	On-Demand	Anodyne	CCR8	43	46
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087525	FD	On-Demand	Anodyne	MAP3K12	30	40
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087526	FD	On-Demand	Anodyne	CHRM1	21	51
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087526	FD	On-Demand	Anodyne	DRD4	16	48
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087526	FD	On-Demand	Anodyne	P2RY12	83	39
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087526	FD	On-Demand	Anodyne	GRIN2B	24	42
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087526	FD	On-Demand	Anodyne	SSTR5	42	37
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087526	FD	On-Demand	Anodyne	EPHX2	24	42
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087526	FD	On-Demand	Anodyne	CCR8	43	46
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087526	FD	On-Demand	Anodyne	MAP3K12	30	40
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087531	EI	On-Demand	Anodyne	DRD4	22	58
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087531	EI	On-Demand	Anodyne	ACOX1	44	35
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087531	EI	On-Demand	Anodyne	MCHR1	42	39
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087531	EI	On-Demand	Anodyne	IMDH_CRYPV	37	52
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087531	EI	On-Demand	Anodyne	MAP3K12	29	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087532	EI	On-Demand	Anodyne	DRD4	22	58
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087532	EI	On-Demand	Anodyne	ACOX1	44	35
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087532	EI	On-Demand	Anodyne	MCHR1	42	39
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087532	EI	On-Demand	Anodyne	IMDH_CRYPV	37	52
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc2ccccc2c1	ZINC000852087532	EI	On-Demand	Anodyne	MAP3K12	29	40
CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852087552	GC	On-Demand	Anodyne	SSTR3	30	43
COCCS(=O)(=O)CCCN1CCC[C@H](c2ccccn2)C1	ZINC000852087564	ED	On-Demand	Anodyne	SLC6A1	43	35
COCCS(=O)(=O)CCCN1CCC[C@H](c2ccccn2)C1	ZINC000852087564	ED	On-Demand	Anodyne	HRH3	28	40
COCCS(=O)(=O)CCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852087565	ED	On-Demand	Anodyne	SLC6A1	43	35
COCCS(=O)(=O)CCCN1CCC[C@@H](c2ccccn2)C1	ZINC000852087565	ED	On-Demand	Anodyne	HRH3	28	40
CCNS(=O)(=O)CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852087578	FC	On-Demand	Anodyne	DRD2	16	41
CCNS(=O)(=O)CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852087578	FC	On-Demand	Anodyne	SIGMAR1	20	40
CCNS(=O)(=O)CCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852087579	FC	On-Demand	Anodyne	DRD2	16	41
CCNS(=O)(=O)CCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852087579	FC	On-Demand	Anodyne	SIGMAR1	20	40
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCCc1cccc(F)c1	ZINC000852087597	GE	On-Demand	Reactive	CRTM	33	41
c1ccc([C@H]2CCCN(CCC3OCCCO3)C2)nc1	ZINC000852087601	CE	On-Demand	Anodyne	SLC6A1	42	34
c1ccc([C@@H]2CCCN(CCC3OCCCO3)C2)nc1	ZINC000852087602	CE	On-Demand	Anodyne	SLC6A1	42	34
CCCCC[C@@H](C)NC(=O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852087604	DG	On-Demand	Anodyne	P2RY12	81	33
CCCCC[C@@H](C)NC(=O)CN1CCC[C@@H](c2ccccn2)C1	ZINC000852087604	DG	On-Demand	Anodyne	BIRC2	42	40
CCCCC[C@@H](C)NC(=O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852087606	DG	On-Demand	Anodyne	P2RY12	81	33
CCCCC[C@@H](C)NC(=O)CN1CCC[C@H](c2ccccn2)C1	ZINC000852087606	DG	On-Demand	Anodyne	BIRC2	42	40
COC(=O)/C(C)=C/CN1CCC[C@H](c2ccccn2)C1	ZINC000852087614	CE	On-Demand	Anodyne	SLC6A1	100	36
COC(=O)/C(C)=C/CN1CCC[C@H](c2ccccn2)C1	ZINC000852087614	CE	On-Demand	Anodyne	MT-CYB	42	32
COC(=O)/C(C)=C/CN1CCC[C@@H](c2ccccn2)C1	ZINC000852087615	CE	On-Demand	Anodyne	SLC6A1	100	36
COC(=O)/C(C)=C/CN1CCC[C@@H](c2ccccn2)C1	ZINC000852087615	CE	On-Demand	Anodyne	MT-CYB	42	32
COC(=O)/C(C)=C\CN1CCC[C@H](c2ccccn2)C1	ZINC000852087616	CE	On-Demand	Anodyne	SLC6A1	100	36
COC(=O)/C(C)=C\CN1CCC[C@H](c2ccccn2)C1	ZINC000852087616	CE	On-Demand	Anodyne	MT-CYB	42	32
COC(=O)/C(C)=C\CN1CCC[C@@H](c2ccccn2)C1	ZINC000852087617	CE	On-Demand	Anodyne	SLC6A1	100	36
COC(=O)/C(C)=C\CN1CCC[C@@H](c2ccccn2)C1	ZINC000852087617	CE	On-Demand	Anodyne	MT-CYB	42	32
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852087626	GH	On-Demand	Anodyne	DRD2	18	40
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852087626	GH	On-Demand	Anodyne	ACHE	21	45
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852087626	GH	On-Demand	Anodyne	GRIN2B	53	38
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852087626	GH	On-Demand	Anodyne	SIGMAR1	34	46
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852087626	GH	On-Demand	Anodyne	CCR3	64	57
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852087626	GH	On-Demand	Anodyne	EPHX2	18	41
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852087626	GH	On-Demand	Anodyne	CYP2J2	43	30
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852087627	GH	On-Demand	Anodyne	DRD2	18	40
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852087627	GH	On-Demand	Anodyne	ACHE	21	45
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852087627	GH	On-Demand	Anodyne	GRIN2B	53	38
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852087627	GH	On-Demand	Anodyne	SIGMAR1	34	46
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852087627	GH	On-Demand	Anodyne	CCR3	64	57
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852087627	GH	On-Demand	Anodyne	EPHX2	18	41
O=C(NCCCCN1CCC(Cc2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852087627	GH	On-Demand	Anodyne	CYP2J2	43	30
COc1cccc(OC)c1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087652	GD	On-Demand	Anodyne	DRD2	45	42
COc1cccc(OC)c1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087652	GD	On-Demand	Anodyne	DRD3	50	41
COc1cccc(OC)c1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087652	GD	On-Demand	Anodyne	HTR4	60	42
COc1cccc(OC)c1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087652	GD	On-Demand	Anodyne	MCHR1	18	50
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087659	GI	On-Demand	Anodyne	DRD4	16	53
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087659	GI	On-Demand	Anodyne	SLC6A1	46	33
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087659	GI	On-Demand	Anodyne	CHRNA7	20	44
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087659	GI	On-Demand	Anodyne	PRNP	63	45
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087659	GI	On-Demand	Anodyne	MAPK1	22	42
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087659	GI	On-Demand	Anodyne	MCHR1	15	42
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087660	GI	On-Demand	Anodyne	DRD4	16	53
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087660	GI	On-Demand	Anodyne	SLC6A1	46	33
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087660	GI	On-Demand	Anodyne	CHRNA7	20	44
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087660	GI	On-Demand	Anodyne	PRNP	63	45
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087660	GI	On-Demand	Anodyne	MAPK1	22	42
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852087660	GI	On-Demand	Anodyne	MCHR1	15	42
N#Cc1ccc([C@@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087676	DF	On-Demand	Mild	MEN1	39	41
N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087677	DF	On-Demand	Mild	MEN1	39	41
N#Cc1ccc([C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087678	DF	On-Demand	Mild	MEN1	39	41
N#Cc1ccc([C@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087679	DF	On-Demand	Mild	MEN1	39	41
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087688	GH	On-Demand	Anodyne	DRD4	16	53
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087688	GH	On-Demand	Anodyne	SLC6A1	46	33
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087688	GH	On-Demand	Anodyne	CHRNA7	20	44
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087688	GH	On-Demand	Anodyne	PRNP	63	45
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087688	GH	On-Demand	Anodyne	MAPK1	22	42
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087688	GH	On-Demand	Anodyne	MCHR1	15	42
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087689	GH	On-Demand	Anodyne	DRD4	16	53
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087689	GH	On-Demand	Anodyne	SLC6A1	46	33
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087689	GH	On-Demand	Anodyne	CHRNA7	20	44
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087689	GH	On-Demand	Anodyne	PRNP	63	45
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087689	GH	On-Demand	Anodyne	MAPK1	22	42
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852087689	GH	On-Demand	Anodyne	MCHR1	15	42
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1ccccc1	ZINC000852087700	ED	On-Demand	Reactive	DRD4	16	47
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1ccccc1	ZINC000852087700	ED	On-Demand	Reactive	SLC6A1	68	35
O=C(CN1CCC[C@H](c2ccccn2)C1)NNC(=O)c1ccccc1	ZINC000852087700	ED	On-Demand	Reactive	MAP3K12	31	43
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1ccccc1	ZINC000852087701	ED	On-Demand	Reactive	DRD4	16	47
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1ccccc1	ZINC000852087701	ED	On-Demand	Reactive	SLC6A1	68	35
O=C(CN1CCC[C@@H](c2ccccn2)C1)NNC(=O)c1ccccc1	ZINC000852087701	ED	On-Demand	Reactive	MAP3K12	31	43
O=C(NCCCc1cccc(F)c1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852087711	GG	On-Demand	Anodyne	CCR3	20	43
N#CCOc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087735	DG	On-Demand	Mild	HRH3	25	41
N#CCOc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087736	DG	On-Demand	Mild	HRH3	25	41
O=C(NCCCc1cccc(F)c1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852087760	GG	On-Demand	Clean	CCR3	42	48
C[C@@H]1CCN(C(=O)NCCCc2cccc(F)c2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852087761	GF	On-Demand	Anodyne	CACNA1G	17	41
Cc1nc(CN2CCC[C@H](c3ccccn3)C2)nc2ccccc12	ZINC000852087763	DH	On-Demand	Anodyne	HNMT	40	34
Cc1nc(CN2CCC[C@@H](c3ccccn3)C2)nc2ccccc12	ZINC000852087764	DH	On-Demand	Anodyne	HNMT	40	34
CC(C)(C)OC(=O)N1CC2(CN(CCc3ccc(C#N)cc3)CCO2)C1	ZINC000852087777	FE	On-Demand	Mild	KCNJ1	29	43
N#Cc1ccc(OCCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087783	DH	On-Demand	Mild	HTR3A	21	40
N#Cc1ccc(OCCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087783	DH	On-Demand	Mild	KCNH2	15	47
N#Cc1ccc(OCCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087783	DH	On-Demand	Mild	LTA4H	55	43
N#Cc1ccc(OCCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087783	DH	On-Demand	Mild	HRH3	108	53
N#Cc1ccc(OCCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087783	DH	On-Demand	Mild	SIGMAR1	17	46
N#Cc1ccc(OCCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087783	DH	On-Demand	Mild	HNMT	42	38
N#Cc1ccc(OCCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087783	DH	On-Demand	Mild	PSMB1	40	35
N#Cc1ccc(OCCCN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087783	DH	On-Demand	Mild	MEN1	65	57
N#Cc1ccc(OCCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087784	DH	On-Demand	Mild	HTR3A	21	40
N#Cc1ccc(OCCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087784	DH	On-Demand	Mild	KCNH2	15	47
N#Cc1ccc(OCCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087784	DH	On-Demand	Mild	LTA4H	55	43
N#Cc1ccc(OCCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087784	DH	On-Demand	Mild	HRH3	108	53
N#Cc1ccc(OCCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087784	DH	On-Demand	Mild	SIGMAR1	17	46
N#Cc1ccc(OCCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087784	DH	On-Demand	Mild	HNMT	42	38
N#Cc1ccc(OCCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087784	DH	On-Demand	Mild	PSMB1	40	35
N#Cc1ccc(OCCCN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087784	DH	On-Demand	Mild	MEN1	65	57
COc1ccc2c(CN3CCC[C@H](c4ccccn4)C3)cc(=O)oc2c1	ZINC000852087785	FH	On-Demand	Anodyne	CYP19A1	17	51
COc1ccc2c(CN3CCC[C@H](c4ccccn4)C3)cc(=O)oc2c1	ZINC000852087785	FH	On-Demand	Anodyne	CYP11B1	20	47
COc1ccc2c(CN3CCC[C@H](c4ccccn4)C3)cc(=O)oc2c1	ZINC000852087785	FH	On-Demand	Anodyne	MAOB	31	46
COc1ccc2c(CN3CCC[C@@H](c4ccccn4)C3)cc(=O)oc2c1	ZINC000852087786	FH	On-Demand	Anodyne	CYP19A1	17	51
COc1ccc2c(CN3CCC[C@@H](c4ccccn4)C3)cc(=O)oc2c1	ZINC000852087786	FH	On-Demand	Anodyne	CYP11B1	20	47
COc1ccc2c(CN3CCC[C@@H](c4ccccn4)C3)cc(=O)oc2c1	ZINC000852087786	FH	On-Demand	Anodyne	MAOB	31	46
c1ccc([C@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087788	CE	On-Demand	Anodyne	DRD2	17	48
c1ccc([C@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087788	CE	On-Demand	Anodyne	DRD4	22	44
c1ccc([C@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087788	CE	On-Demand	Anodyne	SLC6A1	88	38
c1ccc([C@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087788	CE	On-Demand	Anodyne	LTA4H	31	43
c1ccc([C@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087788	CE	On-Demand	Anodyne	HRH3	31	51
c1ccc([C@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087788	CE	On-Demand	Anodyne	SIGMAR1	22	40
c1ccc([C@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087788	CE	On-Demand	Anodyne	HNMT	47	36
c1ccc([C@@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087789	CE	On-Demand	Anodyne	DRD2	17	48
c1ccc([C@@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087789	CE	On-Demand	Anodyne	DRD4	22	44
c1ccc([C@@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087789	CE	On-Demand	Anodyne	SLC6A1	88	38
c1ccc([C@@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087789	CE	On-Demand	Anodyne	LTA4H	31	43
c1ccc([C@@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087789	CE	On-Demand	Anodyne	HRH3	31	51
c1ccc([C@@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087789	CE	On-Demand	Anodyne	SIGMAR1	22	40
c1ccc([C@@H]2CCCN(CCN3CCCC3)C2)nc1	ZINC000852087789	CE	On-Demand	Anodyne	HNMT	47	36
COCCN(CCF)C(=O)NCCCc1cccc(F)c1	ZINC000852087791	DE	On-Demand	Anodyne	MTNR1A	15	44
COCCN(CCF)C(=O)NCCCc1cccc(F)c1	ZINC000852087791	DE	On-Demand	Anodyne	MTNR1B	17	44
COCCN(CCF)C(=O)NCCCc1cccc(F)c1	ZINC000852087791	DE	On-Demand	Anodyne	CRTM	58	39
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852087793	FE	On-Demand	Anodyne	PRCP	39	41
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852087793	FE	On-Demand	Anodyne	MCHR1	22	40
O=C(CN1CCC[C@@H](c2ccccn2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852087793	FE	On-Demand	Anodyne	IMDH_CRYPV	21	40
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852087794	FE	On-Demand	Anodyne	PRCP	39	41
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852087794	FE	On-Demand	Anodyne	MCHR1	22	40
O=C(CN1CCC[C@H](c2ccccn2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852087794	FE	On-Demand	Anodyne	IMDH_CRYPV	21	40
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087800	FF	On-Demand	Anodyne	HRH3	15	40
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087800	FF	On-Demand	Anodyne	ACOX1	70	39
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087800	FF	On-Demand	Anodyne	CPT1A	40	39
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087800	FF	On-Demand	Anodyne	ABCB1	68	48
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087801	FF	On-Demand	Anodyne	HRH3	15	40
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087801	FF	On-Demand	Anodyne	ACOX1	70	39
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087801	FF	On-Demand	Anodyne	CPT1A	40	39
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087801	FF	On-Demand	Anodyne	ABCB1	68	48
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087802	FF	On-Demand	Anodyne	HRH3	15	40
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087802	FF	On-Demand	Anodyne	ACOX1	70	39
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087802	FF	On-Demand	Anodyne	CPT1A	40	39
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](c3ccccn3)C2)cc1	ZINC000852087802	FF	On-Demand	Anodyne	ABCB1	68	48
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087803	FF	On-Demand	Anodyne	HRH3	15	40
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087803	FF	On-Demand	Anodyne	ACOX1	70	39
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087803	FF	On-Demand	Anodyne	CPT1A	40	39
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](c3ccccn3)C2)cc1	ZINC000852087803	FF	On-Demand	Anodyne	ABCB1	68	48
NC(=O)c1ccsc1NC(=O)CCN1CCC[C@@H](c2ccccn2)C1	ZINC000852087822	FE	On-Demand	Anodyne	SLC6A1	50	33
NC(=O)c1ccsc1NC(=O)CCN1CCC[C@H](c2ccccn2)C1	ZINC000852087823	FE	On-Demand	Anodyne	SLC6A1	50	33
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852087837	FE	On-Demand	Anodyne	DRD4	15	61
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852087837	FE	On-Demand	Anodyne	CCR3	19	41
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852087838	FE	On-Demand	Anodyne	DRD4	15	61
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852087838	FE	On-Demand	Anodyne	CCR3	19	41
CC(C)(C)OC(=O)N1CC2(CN(CCOCc3ccccc3)CCO2)C1	ZINC000852087857	FF	On-Demand	Anodyne	SLC12A5	51	32
COC(=O)N(C)CCNC(=O)NCCCc1cccc(F)c1	ZINC000852087868	DD	On-Demand	Anodyne	MTNR1A	28	45
COC(=O)N(C)CCNC(=O)NCCCc1cccc(F)c1	ZINC000852087868	DD	On-Demand	Anodyne	MTNR1B	27	45
COC(=O)N(C)CCNC(=O)NCCCc1cccc(F)c1	ZINC000852087868	DD	On-Demand	Anodyne	CRTM	43	36
Cc1cccc2c1CCC[C@@H]2NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087883	GE	On-Demand	Anodyne	DRD4	18	42
Cc1cccc2c1CCC[C@@H]2NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087883	GE	On-Demand	Anodyne	HTR7	16	42
Cc1cccc2c1CCC[C@H]2NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087884	GE	On-Demand	Anodyne	DRD4	18	42
Cc1cccc2c1CCC[C@H]2NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087884	GE	On-Demand	Anodyne	HTR7	16	42
Fc1cccc(OCCN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852087901	DG	On-Demand	Anodyne	DRD2	18	47
Fc1cccc(OCCN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852087901	DG	On-Demand	Anodyne	SLC6A1	68	39
Fc1cccc(OCCN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852087901	DG	On-Demand	Anodyne	LTA4H	52	45
Fc1cccc(OCCN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852087901	DG	On-Demand	Anodyne	HRH3	33	48
Fc1cccc(OCCN2CCC[C@H](c3ccccn3)C2)c1	ZINC000852087901	DG	On-Demand	Anodyne	CHRNA10	66	48
Fc1cccc(OCCN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852087902	DG	On-Demand	Anodyne	DRD2	18	47
Fc1cccc(OCCN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852087902	DG	On-Demand	Anodyne	SLC6A1	68	39
Fc1cccc(OCCN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852087902	DG	On-Demand	Anodyne	LTA4H	52	45
Fc1cccc(OCCN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852087902	DG	On-Demand	Anodyne	HRH3	33	48
Fc1cccc(OCCN2CCC[C@@H](c3ccccn3)C2)c1	ZINC000852087902	DG	On-Demand	Anodyne	CHRNA10	66	48
O[C@H](CN1CCC[C@@H](c2ccccn2)C1)c1cccc(F)c1	ZINC000852087913	DG	On-Demand	Anodyne	SLC6A1	15	40
O[C@H](CN1CCC[C@H](c2ccccn2)C1)c1cccc(F)c1	ZINC000852087914	DG	On-Demand	Anodyne	SLC6A1	15	40
O[C@@H](CN1CCC[C@@H](c2ccccn2)C1)c1cccc(F)c1	ZINC000852087915	DG	On-Demand	Anodyne	SLC6A1	15	40
O[C@@H](CN1CCC[C@H](c2ccccn2)C1)c1cccc(F)c1	ZINC000852087916	DG	On-Demand	Anodyne	SLC6A1	15	40
CCNS(=O)(=O)CCNC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1	ZINC000852087921	GB	On-Demand	Anodyne	CA2	56	33
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087929	FD	On-Demand	Anodyne	P2RY12	193	42
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](c3ccccn3)C2)CC1	ZINC000852087930	FD	On-Demand	Anodyne	P2RY12	193	42
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087931	FD	On-Demand	Anodyne	P2RY12	193	42
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](c3ccccn3)C2)CC1	ZINC000852087932	FD	On-Demand	Anodyne	P2RY12	193	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087954	GD	On-Demand	Anodyne	CCR3	54	34
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852087955	GD	On-Demand	Anodyne	CCR3	54	34
O=c1cc(CN2CCC[C@H](c3ccccn3)C2)c2ccc(O)cc2o1	ZINC000852087967	EG	On-Demand	Anodyne	HSD17B3	35	52
O=c1cc(CN2CCC[C@@H](c3ccccn3)C2)c2ccc(O)cc2o1	ZINC000852087968	EG	On-Demand	Anodyne	HSD17B3	35	52
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC=C(c3ccccn3)C2)C1	ZINC000852087980	FF	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC=C(c3ccccn3)C2)C1	ZINC000852087981	FF	On-Demand	Anodyne	GPR119	15	40
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1	ZINC000852088003	ED	On-Demand	Anodyne	EPHX2	16	40
Cc1nc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)co1	ZINC000852088104	EG	On-Demand	Anodyne	GPR119	37	41
CC[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1ccccc1OC	ZINC000852088115	DH	On-Demand	Anodyne	HCN1	40	31
CC[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1ccccc1OC	ZINC000852088115	DH	On-Demand	Anodyne	HCN4	40	31
CC[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1OC	ZINC000852088116	DH	On-Demand	Anodyne	HCN1	40	31
CC[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1OC	ZINC000852088116	DH	On-Demand	Anodyne	HCN4	40	31
CC[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1OC	ZINC000852088143	FH	On-Demand	Anodyne	KCNQ2	45	35
CC[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1OC	ZINC000852088143	FH	On-Demand	Anodyne	SCN2A	17	41
CC[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1OC	ZINC000852088143	FH	On-Demand	Anodyne	SCN10A	33	41
CC[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1OC	ZINC000852088143	FH	On-Demand	Anodyne	HCN1	60	32
CC[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1OC	ZINC000852088143	FH	On-Demand	Anodyne	HCN4	48	32
CC[C@@H](NC(=O)NCCc1ccc(C#N)cc1)c1ccccc1OC	ZINC000852088145	EH	On-Demand	Mild	CTRB_BOVIN	53	39
CC[C@@H](NC(=O)NCc1ccc(CNC(C)=O)cc1)c1ccccc1OC	ZINC000852088161	FG	On-Demand	Anodyne	ANPEP	20	43
CC[C@@H](NC(=O)NCc1ccc(CNC(C)=O)cc1)c1ccccc1OC	ZINC000852088161	FG	On-Demand	Anodyne	MTNR1B	21	42
CC[C@@H](NC(=O)NCc1ccc(CNC(C)=O)cc1)c1ccccc1OC	ZINC000852088161	FG	On-Demand	Anodyne	PDS	50	39
CC[C@@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1ccccc1OC	ZINC000852088163	GG	On-Demand	Anodyne	HCN1	63	38
CC[C@@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1ccccc1OC	ZINC000852088163	GG	On-Demand	Anodyne	HCN4	54	38
CC[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1OC	ZINC000852088175	FG	On-Demand	Anodyne	HCN1	40	31
CC[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1OC	ZINC000852088175	FG	On-Demand	Anodyne	HCN4	40	31
O[C@H](CN1CC[C@H](Cc2ccc(Br)cc2)C1)c1ccccn1	ZINC000852088190	FG	On-Demand	Anodyne	GRIN2B	27	44
O[C@H](CN1CC[C@@H](Cc2ccc(Br)cc2)C1)c1ccccn1	ZINC000852088191	FG	On-Demand	Anodyne	GRIN2B	27	44
O[C@@H](CN1CC[C@H](Cc2ccc(Br)cc2)C1)c1ccccn1	ZINC000852088192	FG	On-Demand	Anodyne	GRIN2B	27	44
O[C@@H](CN1CC[C@@H](Cc2ccc(Br)cc2)C1)c1ccccn1	ZINC000852088193	FG	On-Demand	Anodyne	GRIN2B	27	44
CC(C)(C)OC(=O)N1CC2(C1)CN([C@@H]1CCC[C@H]1O)CCO2	ZINC000852088211	DD	On-Demand	Anodyne	GPR119	27	41
CC[C@@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccccc1OC	ZINC000852088223	GG	On-Demand	Anodyne	HTR4	47	38
Cn1cnc(CN2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1	ZINC000852088264	FG	On-Demand	Anodyne	GPR119	32	41
Cn1cnc(CN2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1	ZINC000852088265	FG	On-Demand	Anodyne	GPR119	32	41
Cn1cnc(CN2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1	ZINC000852088266	FG	On-Demand	Anodyne	GPR119	32	41
Cn1cnc(CN2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c1	ZINC000852088267	FG	On-Demand	Anodyne	GPR119	32	41
Cc1nc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)c(C)o1	ZINC000852088329	EG	On-Demand	Anodyne	GPR119	24	40
NC(=O)[C@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088368	EF	On-Demand	Anodyne	DRD4	17	41
NC(=O)[C@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088368	EF	On-Demand	Anodyne	SIGMAR1	18	40
NC(=O)[C@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088368	EF	On-Demand	Anodyne	CCR5	38	45
NC(=O)[C@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088368	EF	On-Demand	Anodyne	MDM2	40	33
NC(=O)[C@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088368	EF	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088369	EF	On-Demand	Anodyne	DRD4	17	41
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088369	EF	On-Demand	Anodyne	SIGMAR1	18	40
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088369	EF	On-Demand	Anodyne	CCR5	38	45
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088369	EF	On-Demand	Anodyne	MDM2	40	33
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088369	EF	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088370	EF	On-Demand	Anodyne	DRD4	17	41
NC(=O)[C@@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088370	EF	On-Demand	Anodyne	SIGMAR1	18	40
NC(=O)[C@@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088370	EF	On-Demand	Anodyne	CCR5	38	45
NC(=O)[C@@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088370	EF	On-Demand	Anodyne	MDM2	40	33
NC(=O)[C@@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088370	EF	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088371	EF	On-Demand	Anodyne	DRD4	17	41
NC(=O)[C@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088371	EF	On-Demand	Anodyne	SIGMAR1	18	40
NC(=O)[C@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088371	EF	On-Demand	Anodyne	CCR5	38	45
NC(=O)[C@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088371	EF	On-Demand	Anodyne	MDM2	40	33
NC(=O)[C@](O)(CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccc1	ZINC000852088371	EF	On-Demand	Anodyne	CYP2J2	44	31
CC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1OC	ZINC000852088400	FG	On-Demand	Anodyne	HTR1A	38	41
CC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1OC	ZINC000852088400	FG	On-Demand	Anodyne	PYGL	33	45
CC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1OC	ZINC000852088400	FG	On-Demand	Anodyne	PYGM	29	45
CC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1OC	ZINC000852088400	FG	On-Demand	Anodyne	TPP2	56	33
CC[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1OC	ZINC000852088402	FG	On-Demand	Anodyne	HTR1A	38	41
CC[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1OC	ZINC000852088402	FG	On-Demand	Anodyne	PYGL	33	45
CC[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1OC	ZINC000852088402	FG	On-Demand	Anodyne	PYGM	29	45
CC[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1OC	ZINC000852088402	FG	On-Demand	Anodyne	TPP2	56	33
CC[C@@H](NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1OC	ZINC000852088417	GH	On-Demand	Anodyne	PDS	43	32
CC[C@@H](NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccccc1OC	ZINC000852088419	GH	On-Demand	Anodyne	PDS	43	32
O=C(CON=Cc1cccs1)Nc1ccc(Cl)c(Cl)c1	ZINC000852088425	EI	On-Demand	Mild	IMDH_CRYPV	30	40
O=C(NCC1SCCS1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852088437	GG	On-Demand	Anodyne	CCR3	27	41
O=C(NCC1SCCS1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852088438	GG	On-Demand	Anodyne	CCR3	27	41
O=C(NCCCNC(=O)c1ccc(F)cc1)N[C@H]1C=CCC1	ZINC000852088455	DD	On-Demand	Anodyne	FOLH1	17	41
O=C(NCCCNC(=O)c1ccc(F)cc1)N[C@H]1C=CCC1	ZINC000852088455	DD	On-Demand	Anodyne	CCR3	24	45
O=C(NCCCNC(=O)c1ccc(F)cc1)N[C@@H]1C=CCC1	ZINC000852088456	DD	On-Demand	Anodyne	FOLH1	17	41
O=C(NCCCNC(=O)c1ccc(F)cc1)N[C@@H]1C=CCC1	ZINC000852088456	DD	On-Demand	Anodyne	CCR3	24	45
COCC1(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOCC1	ZINC000852088459	GD	On-Demand	Clean	MMP13	24	47
COCCN(CCF)C(=O)NCc1ccc(Oc2ccccc2OC)cc1	ZINC000852088484	GH	On-Demand	Anodyne	TSPO	43	35
COCCN(CCF)C(=O)NCc1ccc(Oc2ccccc2OC)cc1	ZINC000852088484	GH	On-Demand	Anodyne	MT-ND1	23	40
O=C(NCc1ncccn1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088486	GF	On-Demand	Anodyne	P2RX7	91	49
O=C(NCc1ncccn1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088486	GF	On-Demand	Anodyne	CCR3	79	46
O=C(NCc1ncccn1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088486	GF	On-Demand	Anodyne	CCR2	18	42
O=C(NCc1ncccn1)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088486	GF	On-Demand	Anodyne	EPHX2	24	43
O=C(NCc1ncccn1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088488	GF	On-Demand	Anodyne	P2RX7	91	49
O=C(NCc1ncccn1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088488	GF	On-Demand	Anodyne	CCR3	79	46
O=C(NCc1ncccn1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088488	GF	On-Demand	Anodyne	CCR2	18	42
O=C(NCc1ncccn1)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088488	GF	On-Demand	Anodyne	EPHX2	24	43
O[C@@H](CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccn1	ZINC000852088489	DG	On-Demand	Anodyne	SLC18A3	17	40
O[C@H](CN1CC[C@@H](c2cccc(Cl)c2)C1)c1ccccn1	ZINC000852088491	DG	On-Demand	Anodyne	SLC18A3	17	40
O[C@H](CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccn1	ZINC000852088492	DG	On-Demand	Anodyne	SLC18A3	17	40
CC[C@@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C)c1ccccc1OC	ZINC000852088493	EH	On-Demand	Anodyne	HCN1	49	32
CC[C@@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1C)c1ccccc1OC	ZINC000852088493	EH	On-Demand	Anodyne	HCN4	47	32
O[C@@H](CN1CC[C@H](c2cccc(Cl)c2)C1)c1ccccn1	ZINC000852088494	DG	On-Demand	Anodyne	SLC18A3	17	40
CC[C@@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C)c1ccccc1OC	ZINC000852088495	EH	On-Demand	Anodyne	HCN1	49	32
CC[C@@H](NC(=O)N1CC2(CCCC2)OC[C@H]1C)c1ccccc1OC	ZINC000852088495	EH	On-Demand	Anodyne	HCN4	47	32
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCCNC(=O)c2ccc(F)cc2)O1	ZINC000852088510	GB	On-Demand	Reactive	CCR3	18	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCCNC(=O)c2ccc(F)cc2)O1	ZINC000852088513	GB	On-Demand	Reactive	CCR3	18	42
CCN1CCCC[C@@H]1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852088518	DE	On-Demand	Reactive	DRD2	32	43
CCN1CCCC[C@H]1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852088520	DE	On-Demand	Reactive	DRD2	32	43
CC[C@@H](NC(=O)N[C@H](CO)c1ccc(F)cc1F)c1ccccc1OC	ZINC000852088523	FG	On-Demand	Anodyne	CTSA	32	40
CC[C@@H](NC(=O)N[C@@H](CO)c1ccc(F)cc1F)c1ccccc1OC	ZINC000852088525	FG	On-Demand	Anodyne	CTSA	32	40
COCC1(NCC(=O)Nc2ccc3nc(O)[nH]c3c2)CCOCC1	ZINC000852088530	EC	On-Demand	Anodyne	ENPP1	60	32
O=C(NCCCNC(=O)c1ccc(F)cc1)NCC1SCCS1	ZINC000852088533	FE	On-Demand	Anodyne	FOLH1	21	42
O=C(NCCCNC(=O)c1ccc(F)cc1)NCC1SCCS1	ZINC000852088533	FE	On-Demand	Anodyne	BCHE	20	40
O=C(NCCCNC(=O)c1ccc(F)cc1)NCC1SCCS1	ZINC000852088533	FE	On-Demand	Anodyne	CCR3	18	43
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	DRD2	32	49
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	DRD4	42	49
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	ACHE	46	45
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	DRD3	26	43
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	HTR4	59	43
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	PDE4A	24	40
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	SIGMAR1	34	44
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	SSTR5	71	35
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	CCR3	47	43
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	MCHR1	25	42
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	CACNA1I	63	39
CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1OC	ZINC000852088535	GH	On-Demand	Anodyne	MBTPS1	40	37
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](CC)c2ccccc2OC)C1	ZINC000852088538	DG	On-Demand	Anodyne	TIMP3	70	35
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](CC)c2ccccc2OC)C1	ZINC000852088539	DG	On-Demand	Anodyne	TIMP3	70	35
CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)C1=O	ZINC000852088562	FE	On-Demand	Anodyne	GPR119	26	40
CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)C1=O	ZINC000852088563	FE	On-Demand	Anodyne	GPR119	26	40
COc1cc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)sn1	ZINC000852088573	FG	On-Demand	Anodyne	GPR119	34	41
CCN1CCCC[C@@H]1CNC(=O)NCc1ncccn1	ZINC000852088620	CD	On-Demand	Anodyne	DRD2	33	41
CCN1CCCC[C@H]1CNC(=O)NCc1ncccn1	ZINC000852088621	CD	On-Demand	Anodyne	DRD2	33	41
COCC1(NCC(=O)Nc2ccc(N3CCCCCC3)cc2)CCOCC1	ZINC000852088630	GF	On-Demand	Anodyne	STAT6	46	33
COC(=O)N(C)CCNC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852088631	GD	On-Demand	Anodyne	HRH2	19	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852088632	GD	On-Demand	Anodyne	HRH2	19	40
COCCN(CCF)C(=O)NCCCNC(=O)c1ccc(F)cc1	ZINC000852088658	ED	On-Demand	Anodyne	DRD3	18	44
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088662	GG	On-Demand	Anodyne	DRD4	16	43
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088662	GG	On-Demand	Anodyne	P2RX7	60	42
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088662	GG	On-Demand	Anodyne	CCR3	40	44
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088662	GG	On-Demand	Anodyne	UTS2R	20	40
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088662	GG	On-Demand	Anodyne	MCHR1	17	41
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1	ZINC000852088662	GG	On-Demand	Anodyne	ACKR3	46	32
CC[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccccc1OC	ZINC000852088684	GE	On-Demand	Anodyne	PDS	51	34
COc1cc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)on1	ZINC000852088697	FF	On-Demand	Anodyne	GPR119	39	41
CC[C@@H](NC(=O)N1CC2CC1(c1ccccc1)C2)c1ccccc1OC	ZINC000852088700	FI	On-Demand	Anodyne	KCNA3	40	35
CC[C@@H](NC(=O)NCCc1ccnc2ccccc12)c1ccccc1OC	ZINC000852088721	FI	On-Demand	Anodyne	TACR3	41	38
CC[C@@H](NC(=O)NCCc1ccnc2ccccc12)c1ccccc1OC	ZINC000852088721	FI	On-Demand	Anodyne	MTNR1A	39	49
CC[C@@H](NC(=O)NCCc1ccnc2ccccc12)c1ccccc1OC	ZINC000852088721	FI	On-Demand	Anodyne	MTNR1B	27	49
CC(C)(C)OC(=O)N1CC2(CN(C[C@H](O)c3ccccn3)CCO2)C1	ZINC000852088749	ED	On-Demand	Anodyne	GPR119	16	41
CC(C)(C)OC(=O)N1CC2(CN(C[C@@H](O)c3ccccn3)CCO2)C1	ZINC000852088751	ED	On-Demand	Anodyne	GPR119	16	41
CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1C=CCC1	ZINC000852088760	CD	On-Demand	Anodyne	DRD2	32	42
CCN1CCCC[C@H]1CNC(=O)N[C@@H]1C=CCC1	ZINC000852088761	CD	On-Demand	Anodyne	DRD2	32	42
CCN1CCCC[C@@H]1CNC(=O)N[C@H]1C=CCC1	ZINC000852088763	CD	On-Demand	Anodyne	DRD2	32	42
CCN1CCCC[C@H]1CNC(=O)N[C@H]1C=CCC1	ZINC000852088765	CD	On-Demand	Anodyne	DRD2	32	42
CC[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccccc1OC	ZINC000852088781	EH	On-Demand	Mild	HCN1	62	38
CC[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccccc1OC	ZINC000852088781	EH	On-Demand	Mild	HCN4	54	38
CC[C@@H](NC(=O)N[C@@H]1CCN(C(C)(C)C)C1)c1ccccc1OC	ZINC000852088788	EG	On-Demand	Anodyne	BIRC2	20	40
CC[C@@H](NC(=O)N[C@H]1CCN(C(C)(C)C)C1)c1ccccc1OC	ZINC000852088789	EG	On-Demand	Anodyne	BIRC2	20	40
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1OC	ZINC000852088801	GH	On-Demand	Clean	DRD4	20	40
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1OC	ZINC000852088802	GH	On-Demand	Clean	DRD4	20	40
CC[C@@H](NC(=O)NC1CCC2(CC1)CC2(F)F)c1ccccc1OC	ZINC000852088818	FI	On-Demand	Anodyne	KCNA3	31	41
CC[C@@H](NC(=O)NC1CCC2(CC1)CC2(F)F)c1ccccc1OC	ZINC000852088818	FI	On-Demand	Anodyne	TIMP3	40	33
CC[C@@H](NC(=O)NCC1(CC(=O)NC)CCCCC1)c1ccccc1OC	ZINC000852088844	GH	On-Demand	Anodyne	HCN1	61	37
CC[C@@H](NC(=O)NCC1(CC(=O)NC)CCCCC1)c1ccccc1OC	ZINC000852088844	GH	On-Demand	Anodyne	HCN4	54	37
CC[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccccc1OC	ZINC000852088845	GH	On-Demand	Mild	HTR1A	35	40
CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852088851	FE	On-Demand	Clean	DRD2	33	42
CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852088852	FE	On-Demand	Clean	DRD2	33	42
CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852088853	FE	On-Demand	Clean	DRD2	33	42
CCN1CCCC[C@H]1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852088854	FE	On-Demand	Clean	DRD2	33	42
CC[C@@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1OC	ZINC000852088896	FF	On-Demand	Anodyne	HTR1A	16	40
CC[C@@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1OC	ZINC000852088896	FF	On-Demand	Anodyne	DRD2	18	40
CC[C@@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccccc1OC	ZINC000852088898	FF	On-Demand	Anodyne	HTR1A	16	40
CC[C@@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccccc1OC	ZINC000852088898	FF	On-Demand	Anodyne	DRD2	18	40
COCC1(NCC(=O)Nc2cccnc2Cl)CCOCC1	ZINC000852088915	DD	On-Demand	Anodyne	G2YM83_BOTF4	72	37
COCC1(NCC(=O)Nc2ccc(N3CCCCC3)cc2)CCOCC1	ZINC000852088920	FE	On-Demand	Anodyne	STAT6	46	33
CCN1CCCC[C@H]1CNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852088923	ED	On-Demand	Anodyne	DRD2	25	43
CCN1CCCC[C@@H]1CNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852088926	ED	On-Demand	Anodyne	DRD2	25	43
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852088934	EE	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852088937	EE	On-Demand	Anodyne	EPHX2	19	48
COCC1(NCCC(=O)Nc2ccc(N3CCOCC3)cc2)CCOCC1	ZINC000852088939	GD	On-Demand	Anodyne	MTOR	52	38
COCC1(NCCC(=O)Nc2ccc(N3CCOCC3)cc2)CCOCC1	ZINC000852088939	GD	On-Demand	Anodyne	EPHX2	15	43
COCC1(NCCC(=O)Nc2ccc(N3CCOCC3)cc2)CCOCC1	ZINC000852088939	GD	On-Demand	Anodyne	STAT6	57	38
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCOc3ccc(O)cc3C2)C1	ZINC000852088940	GE	On-Demand	Anodyne	GPR119	26	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCOc3ccc(O)cc3C2)C1	ZINC000852088943	GE	On-Demand	Anodyne	GPR119	26	41
CC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1OC	ZINC000852088957	EF	On-Demand	Anodyne	DRD2	15	42
CC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1OC	ZINC000852088957	EF	On-Demand	Anodyne	CCR8	23	40
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852088962	FF	On-Demand	Anodyne	DRD4	18	40
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852088962	FF	On-Demand	Anodyne	SLC6A1	63	34
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852088962	FF	On-Demand	Anodyne	CCR3	18	40
COCCN(CCF)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852088962	FF	On-Demand	Anodyne	ACKR3	64	34
CC[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1OC	ZINC000852088987	FH	On-Demand	Anodyne	DRD5	21	40
CC[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1OC	ZINC000852088987	FH	On-Demand	Anodyne	MAPK1	26	41
CC[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1OC	ZINC000852088987	FH	On-Demand	Anodyne	MTNR1B	45	39
CC[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1OC	ZINC000852088987	FH	On-Demand	Anodyne	ABCB1	22	43
Cn1cnc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)c1	ZINC000852089000	EE	On-Demand	Anodyne	GPR119	42	46
CC[C@@H](NC(=O)NCc1cnc(C(F)(F)F)nc1)c1ccccc1OC	ZINC000852089011	FG	On-Demand	Anodyne	PDS	64	36
Cc1ccc(NC(=O)CON=Cc2cccs2)cc1S(=O)(=O)N1CCCCCC1	ZINC000852089019	IH	On-Demand	Mild	LPL	48	38
COC[C@@H](C(N)=O)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852089029	CA	On-Demand	Anodyne	AMY2	58	35
COC[C@@H](C(N)=O)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852089034	CA	On-Demand	Anodyne	AMY2	58	35
CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN([C@@H]3CCC[C@H]3O)C2)C1	ZINC000852089037	FG	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN([C@@H]3CCC[C@H]3O)C2)C1	ZINC000852089040	FG	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN([C@@H]3CCC[C@H]3O)C2)C1	ZINC000852089042	FG	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN([C@@H]3CCC[C@H]3O)C2)C1	ZINC000852089044	FG	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCc3nccnc3C2)C1	ZINC000852089080	ED	On-Demand	Anodyne	GPR119	41	45
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCc3nccnc3C2)C1	ZINC000852089081	ED	On-Demand	Anodyne	GPR119	41	45
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852089084	FD	On-Demand	Reactive	CCR8	18	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852089084	FD	On-Demand	Reactive	GPR119	40	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852089084	FD	On-Demand	Reactive	SFRP1	52	39
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852089085	FD	On-Demand	Reactive	CCR8	18	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852089085	FD	On-Demand	Reactive	GPR119	40	42
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852089085	FD	On-Demand	Reactive	SFRP1	52	39
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852089101	FG	On-Demand	Anodyne	GPR119	36	46
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852089101	FG	On-Demand	Anodyne	WNT3	42	35
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852089102	FG	On-Demand	Anodyne	GPR119	36	46
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852089102	FG	On-Demand	Anodyne	WNT3	42	35
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852089103	FG	On-Demand	Anodyne	GPR119	36	46
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852089103	FG	On-Demand	Anodyne	WNT3	42	35
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852089104	FG	On-Demand	Anodyne	GPR119	36	46
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852089104	FG	On-Demand	Anodyne	WNT3	42	35
O=C(NCCCNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)cc1	ZINC000852089105	GD	On-Demand	Anodyne	HTR1F	23	40
O=C(NCCCNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)cc1	ZINC000852089105	GD	On-Demand	Anodyne	PLD1	54	41
O=C(NCCCNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)cc1	ZINC000852089105	GD	On-Demand	Anodyne	PLD2	55	41
CC[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1OC	ZINC000852089109	EH	On-Demand	Anodyne	SMO	34	43
CCN1CCCC[C@H]1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852089110	ED	On-Demand	Anodyne	DRD2	32	41
CCN1CCCC[C@@H]1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852089111	ED	On-Demand	Anodyne	DRD2	32	41
O=C(NCCCNC(=O)c1ccc(F)cc1)NCc1ncccn1	ZINC000852089123	ED	On-Demand	Anodyne	FOLH1	25	43
O=C(NCCCNC(=O)c1ccc(F)cc1)NCc1ncccn1	ZINC000852089123	ED	On-Demand	Anodyne	BCHE	22	45
CCN1CCCC[C@@H]1CNC(=O)NCCN(C)C(=O)OC	ZINC000852089131	DC	On-Demand	Anodyne	DRD2	32	41
CCN1CCCC[C@H]1CNC(=O)NCCN(C)C(=O)OC	ZINC000852089132	DC	On-Demand	Anodyne	DRD2	32	41
COCCN(CCF)C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089135	FF	On-Demand	Anodyne	DRD2	29	49
COCCN(CCF)C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089135	FF	On-Demand	Anodyne	DRD3	17	47
COCCN(CCF)C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089135	FF	On-Demand	Anodyne	SLC6A3	21	43
COCCN(CCF)C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089135	FF	On-Demand	Anodyne	LTA4H	27	40
COCCN(CCF)C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089135	FF	On-Demand	Anodyne	SIGMAR1	21	47
COCCN(CCF)C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089135	FF	On-Demand	Anodyne	CCR3	19	41
CCN1CCCC[C@@H]1CNC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852089140	FE	On-Demand	Anodyne	DRD2	32	41
CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852089141	FE	On-Demand	Anodyne	DRD2	32	41
CCN1CCCC[C@H]1CNC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852089142	FE	On-Demand	Anodyne	DRD2	32	41
CCN1CCCC[C@H]1CNC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852089143	FE	On-Demand	Anodyne	DRD2	32	41
COCC1(NCC(=O)OCc2ccccc2)CCOCC1	ZINC000852089151	CD	On-Demand	Anodyne	CAPNS1	42	33
COCC1(NCC(=O)OCc2ccccc2)CCOCC1	ZINC000852089151	CD	On-Demand	Anodyne	CAPN2	51	32
COCC1(NCC(=O)OCc2ccccc2)CCOCC1	ZINC000852089151	CD	On-Demand	Anodyne	NPR	44	31
COCC1(NCC(=O)OCc2ccccc2)CCOCC1	ZINC000852089151	CD	On-Demand	Anodyne	SLC12A5	70	43
O=C1CCC2=C(CCN(C(=O)NCCCNC(=O)c3ccc(F)cc3)C2)N1	ZINC000852089160	FD	On-Demand	Anodyne	PLD2	42	40
CCN1CCCC[C@@H]1CNC(=O)NCC1SCCS1	ZINC000852089163	DD	On-Demand	Anodyne	DRD2	33	42
CCN1CCCC[C@H]1CNC(=O)NCC1SCCS1	ZINC000852089164	DD	On-Demand	Anodyne	DRD2	33	42
O=C(NCCCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852089170	GD	On-Demand	Anodyne	PLD1	54	41
O=C(NCCCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852089170	GD	On-Demand	Anodyne	PLD2	52	41
O=C(NCCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852089172	GD	On-Demand	Anodyne	PLD1	54	41
O=C(NCCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852089172	GD	On-Demand	Anodyne	PLD2	52	41
COCC1(NC[C@H](O)c2cccc(Cl)c2)CCOCC1	ZINC000852089180	CE	On-Demand	Anodyne	CYP3A4	43	34
COCC1(NC[C@@H](O)c2cccc(Cl)c2)CCOCC1	ZINC000852089182	CE	On-Demand	Anodyne	CYP3A4	43	34
CC(C)[C@H]1CN(C)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852089185	DC	On-Demand	Anodyne	CHRM3	34	44
CC(C)[C@H]1CN(C)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852089189	DC	On-Demand	Anodyne	CHRM3	34	44
COCC1(NCc2cc(=O)oc3cc(O)ccc23)CCOCC1	ZINC000852089234	DD	On-Demand	Anodyne	MAOB	18	43
COCC1(NCc2cc(=O)oc3cc(O)ccc23)CCOCC1	ZINC000852089234	DD	On-Demand	Anodyne	HSD17B3	38	53
CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(Cl)c(C(=O)OC)n1	ZINC000852089240	FE	On-Demand	Anodyne	DRD2	32	45
CCN1CCCC[C@H]1CNC(=O)NCc1ccc(Cl)c(C(=O)OC)n1	ZINC000852089243	FE	On-Demand	Anodyne	DRD2	32	45
CC(C)(CO)[C@H](NCc1cccc([N+](=O)[O-])c1Br)c1cccnc1	ZINC000852089253	GH	On-Demand	Bother	COLA	45	35
CC[C@@H](NC(=O)NCC1(S(=O)(=O)CC)CC1)c1ccccc1OC	ZINC000852089273	FE	On-Demand	Anodyne	KCNA3	40	35
CC[C@@H](NC(=O)NCC1(S(=O)(=O)CC)CC1)c1ccccc1OC	ZINC000852089273	FE	On-Demand	Anodyne	HCN1	64	33
CC[C@@H](NC(=O)NCC1(S(=O)(=O)CC)CC1)c1ccccc1OC	ZINC000852089273	FE	On-Demand	Anodyne	HCN4	50	33
C[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCN1S(C)(=O)=O	ZINC000852089315	GC	On-Demand	Anodyne	GPR119	43	43
C[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCN1S(C)(=O)=O	ZINC000852089315	GC	On-Demand	Anodyne	WNT3	42	36
C[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCN1S(C)(=O)=O	ZINC000852089318	GC	On-Demand	Anodyne	GPR119	43	43
C[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCN1S(C)(=O)=O	ZINC000852089318	GC	On-Demand	Anodyne	WNT3	42	36
C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852089322	FG	On-Demand	Anodyne	CCR8	22	40
C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852089322	FG	On-Demand	Anodyne	SFRP1	22	41
C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852089323	FG	On-Demand	Anodyne	CCR8	22	40
C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852089323	FG	On-Demand	Anodyne	SFRP1	22	41
CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(Cc3cccc(F)n3)C2)C1	ZINC000852089357	GI	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(Cc3cccc(F)n3)C2)C1	ZINC000852089359	GI	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(Cc3cccc(F)n3)C2)C1	ZINC000852089361	GI	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(Cc3cccc(F)n3)C2)C1	ZINC000852089363	GI	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852089385	GF	On-Demand	Anodyne	EPHX2	38	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852089385	GF	On-Demand	Anodyne	GPR119	46	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852089385	GF	On-Demand	Anodyne	SFRP1	111	43
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852089385	GF	On-Demand	Anodyne	WNT3	82	38
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852089386	GF	On-Demand	Anodyne	EPHX2	38	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852089386	GF	On-Demand	Anodyne	GPR119	46	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852089386	GF	On-Demand	Anodyne	SFRP1	111	43
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852089386	GF	On-Demand	Anodyne	WNT3	82	38
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCO[C@@H]2CC2(F)F)C1	ZINC000852089390	ED	On-Demand	Anodyne	EPHX2	17	45
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCO[C@H]2CC2(F)F)C1	ZINC000852089391	ED	On-Demand	Anodyne	EPHX2	17	45
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCO[C@H]2CC2(F)F)C1	ZINC000852089392	ED	On-Demand	Anodyne	EPHX2	17	45
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCO[C@@H]2CC2(F)F)C1	ZINC000852089393	ED	On-Demand	Anodyne	EPHX2	17	45
CCSC1(CNC(=O)N[C@@H](CC)c2ccccc2OC)CC1	ZINC000852089410	DH	On-Demand	Anodyne	KCNA3	43	37
CCSC1(CNC(=O)N[C@@H](CC)c2ccccc2OC)CC1	ZINC000852089410	DH	On-Demand	Anodyne	HCN1	53	35
CCSC1(CNC(=O)N[C@H](CC)c2ccccc2OC)CC1	ZINC000852089411	DH	On-Demand	Anodyne	KCNA3	43	37
CCSC1(CNC(=O)N[C@H](CC)c2ccccc2OC)CC1	ZINC000852089411	DH	On-Demand	Anodyne	HCN1	53	35
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCc2noc3ccccc23)C1	ZINC000852089412	FF	On-Demand	Anodyne	CCR8	39	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCc2noc3ccccc23)C1	ZINC000852089413	FF	On-Demand	Anodyne	CCR8	39	40
CC[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1OC	ZINC000852089432	FF	On-Demand	Anodyne	ADRA1D	19	42
CC[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1OC	ZINC000852089432	FF	On-Demand	Anodyne	ADRA1B	15	42
CC[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1OC	ZINC000852089433	FF	On-Demand	Anodyne	ADRA1D	19	42
CC[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1OC	ZINC000852089433	FF	On-Demand	Anodyne	ADRA1B	15	42
CC[C@@H](NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1)c1ccccc1OC	ZINC000852089441	FH	On-Demand	Anodyne	HCN1	51	33
CC[C@@H](NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1)c1ccccc1OC	ZINC000852089441	FH	On-Demand	Anodyne	HCN4	48	33
CC[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089465	FH	On-Demand	Anodyne	DRD2	33	41
CC[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089465	FH	On-Demand	Anodyne	DRD4	19	40
CC[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089465	FH	On-Demand	Anodyne	HTR4	45	39
CC[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089465	FH	On-Demand	Anodyne	CHRM4	17	44
CC[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089465	FH	On-Demand	Anodyne	CCR3	48	41
CC[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089465	FH	On-Demand	Anodyne	HCN1	49	30
CC[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089465	FH	On-Demand	Anodyne	HCN4	47	30
CC[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089469	FH	On-Demand	Anodyne	DRD2	33	41
CC[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089469	FH	On-Demand	Anodyne	DRD4	19	40
CC[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089469	FH	On-Demand	Anodyne	HTR4	45	39
CC[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089469	FH	On-Demand	Anodyne	CHRM4	17	44
CC[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089469	FH	On-Demand	Anodyne	CCR3	48	41
CC[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089469	FH	On-Demand	Anodyne	HCN1	49	30
CC[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1OC	ZINC000852089469	FH	On-Demand	Anodyne	HCN4	47	30
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852089514	EF	On-Demand	Anodyne	WNT3	41	34
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852089517	EF	On-Demand	Anodyne	WNT3	41	34
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852089519	EF	On-Demand	Anodyne	WNT3	41	34
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852089522	EF	On-Demand	Anodyne	WNT3	41	34
COCC1(NCC(=O)NOCc2ccccc2)CCOCC1	ZINC000852089550	DD	On-Demand	Anodyne	SLC12A5	62	40
COCC1(NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CCOCC1	ZINC000852089562	EE	On-Demand	Anodyne	GPR119	22	40
COCC1(NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CCOCC1	ZINC000852089565	EE	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852089568	CE	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852089570	CE	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852089573	CE	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852089575	CE	On-Demand	Anodyne	GPR119	24	40
CCN1CCCC[C@@H]1CNC(=O)N1CCn2ncc(Br)c2C1	ZINC000852089580	FE	On-Demand	Anodyne	DRD2	29	42
CCN1CCCC[C@H]1CNC(=O)N1CCn2ncc(Br)c2C1	ZINC000852089583	FE	On-Demand	Anodyne	DRD2	29	42
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089591	GF	On-Demand	Anodyne	DRD4	18	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089591	GF	On-Demand	Anodyne	CCR8	54	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089591	GF	On-Demand	Anodyne	BIRC2	16	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089591	GF	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089591	GF	On-Demand	Anodyne	SFRP1	45	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089591	GF	On-Demand	Anodyne	WNT3	42	34
O=C(NCCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089593	GH	On-Demand	Anodyne	DRD2	20	45
O=C(NCCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089593	GH	On-Demand	Anodyne	DRD3	15	43
O=C(NCCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089593	GH	On-Demand	Anodyne	LTA4H	23	48
O=C(NCCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089593	GH	On-Demand	Anodyne	SIGMAR1	15	43
O=C(NCCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852089593	GH	On-Demand	Anodyne	CCR3	24	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089594	GF	On-Demand	Anodyne	DRD4	18	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089594	GF	On-Demand	Anodyne	CCR8	54	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089594	GF	On-Demand	Anodyne	BIRC2	16	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089594	GF	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089594	GF	On-Demand	Anodyne	SFRP1	45	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089594	GF	On-Demand	Anodyne	WNT3	42	34
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089598	GF	On-Demand	Anodyne	DRD4	18	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089598	GF	On-Demand	Anodyne	CCR8	54	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089598	GF	On-Demand	Anodyne	BIRC2	16	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089598	GF	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089598	GF	On-Demand	Anodyne	SFRP1	45	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852089598	GF	On-Demand	Anodyne	WNT3	42	34
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089601	GF	On-Demand	Anodyne	DRD4	18	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089601	GF	On-Demand	Anodyne	CCR8	54	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089601	GF	On-Demand	Anodyne	BIRC2	16	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089601	GF	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089601	GF	On-Demand	Anodyne	SFRP1	45	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852089601	GF	On-Demand	Anodyne	WNT3	42	34
COCC1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000852089604	DD	On-Demand	Bother	CACNA1C	59	38
COCC1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000852089604	DD	On-Demand	Bother	CACNA1D	92	38
COCC1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000852089606	DD	On-Demand	Bother	CACNA1C	59	38
COCC1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000852089606	DD	On-Demand	Bother	CACNA1D	92	38
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA2	81	48
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA6	17	40
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA1	78	48
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA7	53	41
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA13	23	41
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA5B	37	41
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA4	50	44
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA5A	36	41
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA14	42	41
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA12	59	48
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CA9	71	48
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	CYNT	30	40
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	NCE103	17	40
COCC1(NCCc2ccc(S(N)(=O)=O)cc2)CCOCC1	ZINC000852089609	EC	On-Demand	Anodyne	A6YCJ1_9METZ	24	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCC2(CC(N)=O)CCCCC2)C1	ZINC000852089612	GE	On-Demand	Anodyne	EPHX2	15	43
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCC2(CC(N)=O)CCCCC2)C1	ZINC000852089614	GE	On-Demand	Anodyne	EPHX2	15	43
O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852089620	GF	On-Demand	Anodyne	CCR3	17	41
O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)N[C@H]1COC2(CCC2)C1	ZINC000852089623	GF	On-Demand	Anodyne	CCR3	17	41
O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)N[C@H]1COC2(CCC2)C1	ZINC000852089626	GF	On-Demand	Anodyne	CCR3	17	41
COCC1(NCc2ccc(C(=O)N3CCCC3)cc2)CCOCC1	ZINC000852089629	EE	On-Demand	Anodyne	L3MBTL3	49	36
Cn1cc(CCNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21	ZINC000852089645	GG	On-Demand	Anodyne	CCR8	68	42
Cn1cc(CCNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21	ZINC000852089645	GG	On-Demand	Anodyne	GPR119	31	40
Cn1cc(CCNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21	ZINC000852089645	GG	On-Demand	Anodyne	SFRP1	41	39
Cn1cc(CCNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21	ZINC000852089645	GG	On-Demand	Anodyne	WNT3	42	34
Cn1cc(CCNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21	ZINC000852089647	GG	On-Demand	Anodyne	CCR8	68	42
Cn1cc(CCNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21	ZINC000852089647	GG	On-Demand	Anodyne	GPR119	31	40
Cn1cc(CCNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21	ZINC000852089647	GG	On-Demand	Anodyne	SFRP1	41	39
Cn1cc(CCNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21	ZINC000852089647	GG	On-Demand	Anodyne	WNT3	42	34
CC[C@@H](NC(=O)NC[C@]1(C)CC1(F)F)c1ccccc1OC	ZINC000852089867	DG	On-Demand	Anodyne	HCN1	47	32
CC[C@@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1ccccc1OC	ZINC000852089868	DG	On-Demand	Anodyne	HCN1	47	32
CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C[C@H](O)c3ccccn3)C2)C1	ZINC000852089904	GG	On-Demand	Anodyne	GPR119	37	47
CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C[C@@H](O)c3ccccn3)C2)C1	ZINC000852089905	GG	On-Demand	Anodyne	GPR119	37	47
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C[C@H](O)c3ccccn3)C2)C1	ZINC000852089906	GG	On-Demand	Anodyne	GPR119	37	47
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C[C@@H](O)c3ccccn3)C2)C1	ZINC000852089907	GG	On-Demand	Anodyne	GPR119	37	47
CC[C@@H](NC(=O)NCc1c(C2CC2)cnn1C)c1ccccc1OC	ZINC000852089909	EG	On-Demand	Anodyne	HCN1	41	31
CC[C@@H](NC(=O)NCc1c(OC)cccc1OC)c1ccccc1OC	ZINC000852090007	FH	On-Demand	Anodyne	SOAT1	24	41
CC[C@@H](NC(=O)NCc1c(OC)cccc1OC)c1ccccc1OC	ZINC000852090007	FH	On-Demand	Anodyne	PDS	48	35
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	HTR1A	25	41
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	DRD2	32	42
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	DRD4	23	42
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	HRH1	17	41
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	DRD3	29	40
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	HTR4	73	43
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	SIGMAR1	16	42
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	CCR3	40	41
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	CACNA1I	59	36
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	MBTPS1	43	33
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	HCN1	60	31
CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1OC	ZINC000852090036	FH	On-Demand	Anodyne	HCN4	48	31
CCN1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852090058	DD	On-Demand	Anodyne	DRD2	28	42
CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852090059	DD	On-Demand	Anodyne	DRD2	28	42
CCN1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852090060	DD	On-Demand	Anodyne	DRD2	28	42
CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852090061	DD	On-Demand	Anodyne	DRD2	28	42
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1cn(C)nn1	ZINC000852090066	DB	On-Demand	Reactive	DRD2	34	44
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cn(C)nn1	ZINC000852090067	DB	On-Demand	Reactive	DRD2	34	44
CCN1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(F)n1	ZINC000852090070	DD	On-Demand	Reactive	DRD2	35	43
CCN1CCCC[C@H]1CNC(=O)NNC(=O)c1cccc(F)n1	ZINC000852090071	DD	On-Demand	Reactive	DRD2	35	43
O=C(NCc1ncccn1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852090072	FE	On-Demand	Anodyne	CCR3	32	42
O=C(NCc1ncccn1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852090072	FE	On-Demand	Anodyne	BIRC2	32	40
O=C(NCc1ncccn1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852090073	FE	On-Demand	Anodyne	CCR3	32	42
O=C(NCc1ncccn1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852090073	FE	On-Demand	Anodyne	BIRC2	32	40
O=C(NCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090085	GG	On-Demand	Anodyne	DRD2	18	45
O=C(NCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090085	GG	On-Demand	Anodyne	KCNH2	17	40
O=C(NCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090085	GG	On-Demand	Anodyne	LTA4H	23	47
O=C(NCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090085	GG	On-Demand	Anodyne	SIGMAR1	17	43
O=C(NCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090085	GG	On-Demand	Anodyne	CCR3	19	41
O=C(NCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090085	GG	On-Demand	Anodyne	EPHX2	15	43
O=C(NCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090085	GG	On-Demand	Anodyne	ARG1	30	41
O=C(NCC1SCCS1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090085	GG	On-Demand	Anodyne	ARG2	30	41
O=C(NNC(=O)c1cccc(F)n1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090095	GE	On-Demand	Reactive	DRD2	18	45
O=C(NNC(=O)c1cccc(F)n1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090095	GE	On-Demand	Reactive	LTA4H	23	43
O=C(NNC(=O)c1cccc(F)n1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090095	GE	On-Demand	Reactive	SIGMAR1	15	43
O=C(NNC(=O)c1cccc(F)n1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090095	GE	On-Demand	Reactive	CCR3	24	45
CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090104	FG	On-Demand	Anodyne	DRD2	15	40
CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090104	FG	On-Demand	Anodyne	SSTR2	41	41
CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090104	FG	On-Demand	Anodyne	CCR5	21	45
CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090104	FG	On-Demand	Anodyne	HCN1	41	33
CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090104	FG	On-Demand	Anodyne	HCN4	41	33
CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090105	FG	On-Demand	Anodyne	DRD2	15	40
CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090105	FG	On-Demand	Anodyne	SSTR2	41	41
CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090105	FG	On-Demand	Anodyne	CCR5	21	45
CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090105	FG	On-Demand	Anodyne	HCN1	41	33
CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1OC	ZINC000852090105	FG	On-Demand	Anodyne	HCN4	41	33
O=C(CON=Cc1cccs1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852090121	FI	On-Demand	Mild	ADRB1	25	41
O=C(CON=Cc1cccs1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852090121	FI	On-Demand	Mild	ADRB3	20	40
O=C(CON=Cc1cccs1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852090121	FI	On-Demand	Mild	LTA4H	36	54
CCN1CCCC[C@@H]1CNC(=O)N(CCF)CCOC	ZINC000852090123	CD	On-Demand	Anodyne	DRD2	35	47
CCN1CCCC[C@H]1CNC(=O)N(CCF)CCOC	ZINC000852090124	CD	On-Demand	Anodyne	DRD2	35	47
CC[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccccc1OC	ZINC000852090129	EF	On-Demand	Anodyne	MAPK1	44	44
COCC1(NCc2cc(=O)oc3cc(OC)ccc23)CCOCC1	ZINC000852090134	EE	On-Demand	Anodyne	MAOA	40	36
COCC1(NCc2cc(=O)oc3cc(OC)ccc23)CCOCC1	ZINC000852090134	EE	On-Demand	Anodyne	MAOB	32	47
O=C1CCC2=C(CCN(C(=O)NC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)C2)N1	ZINC000852090137	GF	On-Demand	Anodyne	DRD2	15	41
O=C1CCC2=C(CCN(C(=O)NC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)C2)N1	ZINC000852090137	GF	On-Demand	Anodyne	LTA4H	18	43
O=C1CCC2=C(CCN(C(=O)NC3C[C@@H]4CC[C@H](C3)N4Cc3ccccc3)C2)N1	ZINC000852090137	GF	On-Demand	Anodyne	CCR3	17	47
CC[C@@H](NC(=O)NNc1ccc(Cl)cn1)c1ccccc1OC	ZINC000852090138	EH	On-Demand	Reactive	F10	48	32
COCC1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1	ZINC000852090146	GD	On-Demand	Bother	SSTR1	46	47
COCC1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1	ZINC000852090146	GD	On-Demand	Bother	SLC27A4	42	30
CC[C@@H](NC(=O)NCc1ccc(C(=O)OC)cc1F)c1ccccc1OC	ZINC000852090154	FH	On-Demand	Anodyne	PPARA	18	43
CC[C@@H](NC(=O)NCc1ccc(C(=O)OC)cc1F)c1ccccc1OC	ZINC000852090154	FH	On-Demand	Anodyne	BDKRB1	27	41
CC[C@@H](NC(=O)NCc1ccc(C(=O)OC)cc1F)c1ccccc1OC	ZINC000852090154	FH	On-Demand	Anodyne	PPARD	15	43
CC[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1OC	ZINC000852090182	FF	On-Demand	Anodyne	CCR5	23	40
CC[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1OC	ZINC000852090183	FF	On-Demand	Anodyne	CCR5	23	40
COC(=O)N(C)CCNC(=O)NCCCNC(=O)c1ccc(F)cc1	ZINC000852090191	FC	On-Demand	Anodyne	FOLH1	19	41
CC[C@@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1ccccc1OC	ZINC000852090197	FG	On-Demand	Anodyne	HCN1	62	38
CC[C@@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1ccccc1OC	ZINC000852090197	FG	On-Demand	Anodyne	HCN4	54	38
O=C(NCCCNC(=O)c1ccc(F)cc1)NCCC1SCCS1	ZINC000852090198	FE	On-Demand	Anodyne	FOLH1	21	42
O=C(NCCCNC(=O)c1ccc(F)cc1)NCCC1SCCS1	ZINC000852090198	FE	On-Demand	Anodyne	BCHE	20	40
O=C(NCCCNC(=O)c1ccc(F)cc1)NCCC1SCCS1	ZINC000852090198	FE	On-Demand	Anodyne	CCR3	19	43
CCN1CCCC[C@@H]1CNC(=O)N(C)CCN(C)C(=O)OC	ZINC000852090203	DD	On-Demand	Anodyne	DRD2	33	44
CCN1CCCC[C@H]1CNC(=O)N(C)CCN(C)C(=O)OC	ZINC000852090204	DD	On-Demand	Anodyne	DRD2	33	44
O=C(NCCCNC(=O)c1ccc(F)cc1)NCC[S@@](=O)CC(F)(F)F	ZINC000852090218	GD	On-Demand	Anodyne	FOLH1	19	41
O=C(NCCCNC(=O)c1ccc(F)cc1)NCC[S@](=O)CC(F)(F)F	ZINC000852090219	GD	On-Demand	Anodyne	FOLH1	19	41
O=C(NNc1ccc(Cl)cn1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090222	GH	On-Demand	Reactive	DRD2	18	43
O=C(NNc1ccc(Cl)cn1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090222	GH	On-Demand	Reactive	SIGMAR1	15	42
O=C(NNc1ccc(Cl)cn1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090222	GH	On-Demand	Reactive	CCR3	17	40
COCC1(NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CCOCC1	ZINC000852090238	GF	On-Demand	Anodyne	KCNK3	41	34
COCC1(NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CCOCC1	ZINC000852090238	GF	On-Demand	Anodyne	KCNK9	40	34
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3ccc(C)cc3)C2)cc1	ZINC000852090261	GE	On-Demand	Clean	DRD4	50	47
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3ccc(C)cc3)C2)cc1	ZINC000852090261	GE	On-Demand	Clean	CTSL	16	40
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3ccc(C)cc3)C2)cc1	ZINC000852090261	GE	On-Demand	Clean	TGM2	17	43
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3ccc(C)cc3)C2)cc1	ZINC000852090261	GE	On-Demand	Clean	MCHR1	23	45
O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)N[C@H]1C=CCC1	ZINC000852090267	EF	On-Demand	Anodyne	CCR3	32	43
O=C(N[C@@H]1C=CCC1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852090268	EF	On-Demand	Anodyne	CCR3	32	43
O=C(N[C@H]1C=CCC1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852090269	EF	On-Demand	Anodyne	CCR3	32	43
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1	ZINC000852090270	EF	On-Demand	Anodyne	CCR3	32	43
COC(=O)N(C)CCNC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090317	FE	On-Demand	Anodyne	DRD2	25	50
COC(=O)N(C)CCNC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090317	FE	On-Demand	Anodyne	DRD3	17	48
COC(=O)N(C)CCNC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090317	FE	On-Demand	Anodyne	SLC6A3	23	42
COC(=O)N(C)CCNC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090317	FE	On-Demand	Anodyne	HTR4	33	42
COC(=O)N(C)CCNC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090317	FE	On-Demand	Anodyne	SIGMAR1	18	48
COC(=O)N(C)CCNC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	ZINC000852090317	FE	On-Demand	Anodyne	CCR3	21	42
O=C(CON=Cc1cccs1)NC12CC3CC(CC(C3)C1)C2	ZINC000852090318	DG	On-Demand	Mild	CNR2	26	42
O=C(CON=Cc1cccs1)NC12CC3CC(CC(C3)C1)C2	ZINC000852090318	DG	On-Demand	Mild	EPHX2	81	42
COCC1(NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000852090319	FC	On-Demand	Reactive	CACNA1C	59	39
COCC1(NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000852090319	FC	On-Demand	Reactive	CACNA1D	92	39
O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N[C@H]1COC2(CCC2)C1	ZINC000852090321	GG	On-Demand	Anodyne	P2RX7	57	43
O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N[C@H]1COC2(CCC2)C1	ZINC000852090321	GG	On-Demand	Anodyne	CCR3	46	47
O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N[C@H]1COC2(CCC2)C1	ZINC000852090322	GG	On-Demand	Anodyne	P2RX7	57	43
O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N[C@H]1COC2(CCC2)C1	ZINC000852090322	GG	On-Demand	Anodyne	CCR3	46	47
O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852090323	GG	On-Demand	Anodyne	P2RX7	57	43
O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852090323	GG	On-Demand	Anodyne	CCR3	46	47
CC[C@@H](NC(=O)NCc1c(C2CCC2)cnn1C)c1ccccc1OC	ZINC000852090333	FH	On-Demand	Anodyne	HCN1	42	32
CC[C@@H](NC(=O)NCc1c(C2CCC2)cnn1C)c1ccccc1OC	ZINC000852090333	FH	On-Demand	Anodyne	HCN4	40	31
C#C[C@H](NC(=O)NCCCNC(=O)c1ccc(F)cc1)C1CCOCC1	ZINC000852090347	FD	On-Demand	Mild	FOLH1	21	41
C#C[C@@H](NC(=O)NCCCNC(=O)c1ccc(F)cc1)C1CCOCC1	ZINC000852090348	FD	On-Demand	Mild	FOLH1	21	41
O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852090349	GE	On-Demand	Anodyne	DRD2	15	41
O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852090349	GE	On-Demand	Anodyne	LTA4H	26	45
O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852090349	GE	On-Demand	Anodyne	CCR3	19	45
O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852090350	GE	On-Demand	Anodyne	DRD2	15	41
O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852090350	GE	On-Demand	Anodyne	LTA4H	26	45
O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852090350	GE	On-Demand	Anodyne	CCR3	19	45
C#C[C@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C1CCOCC1	ZINC000852090370	GF	On-Demand	Mild	LTA4H	18	43
C#C[C@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C1CCOCC1	ZINC000852090370	GF	On-Demand	Mild	CCR3	15	40
C#C[C@@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C1CCOCC1	ZINC000852090371	GF	On-Demand	Mild	LTA4H	18	43
C#C[C@@H](NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)C1CCOCC1	ZINC000852090371	GF	On-Demand	Mild	CCR3	15	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3C[C@H]3C2)C1	ZINC000852090391	DE	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3C[C@H]3C2)C1	ZINC000852090392	DE	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3C[C@@H]3C2)C1	ZINC000852090393	DE	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3C[C@@H]3C2)C1	ZINC000852090394	DE	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3COC[C@@H]3C2)C1	ZINC000852090396	ED	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3COC[C@H]3C2)C1	ZINC000852090397	ED	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3COC[C@H]3C2)C1	ZINC000852090398	ED	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3COC[C@@H]3C2)C1	ZINC000852090399	ED	On-Demand	Anodyne	GPR119	31	42
C=CCOc1ccccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852090430	EE	On-Demand	Mild	KCNA3	22	40
C=CCOc1ccccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852090430	EE	On-Demand	Mild	EPHX2	37	46
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852090436	FG	On-Demand	Anodyne	CCR8	30	42
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852090436	FG	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852090436	FG	On-Demand	Anodyne	SFRP1	59	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852090436	FG	On-Demand	Anodyne	WNT3	44	38
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852090437	FG	On-Demand	Anodyne	CCR8	30	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852090437	FG	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852090437	FG	On-Demand	Anodyne	SFRP1	59	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852090437	FG	On-Demand	Anodyne	WNT3	44	38
O=C(NCCCCCN1CCCCC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852090444	FD	On-Demand	Anodyne	L3MBTL3	20	43
O=C(NCCCCCN1CCCCC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852090445	FD	On-Demand	Anodyne	L3MBTL3	20	43
C[C@H]1c2ccccc2OCCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090448	GG	On-Demand	Anodyne	SFRP1	42	39
C[C@H]1c2ccccc2OCCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090448	GG	On-Demand	Anodyne	WNT3	52	36
C[C@H]1c2ccccc2OCCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090450	GG	On-Demand	Anodyne	SFRP1	42	39
C[C@H]1c2ccccc2OCCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090450	GG	On-Demand	Anodyne	WNT3	52	36
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852090453	GE	On-Demand	Anodyne	GPR119	42	48
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852090454	GE	On-Demand	Anodyne	GPR119	42	48
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852090455	GE	On-Demand	Anodyne	GPR119	42	48
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852090456	GE	On-Demand	Anodyne	GPR119	42	48
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCCC2CCC2)C1	ZINC000852090460	EF	On-Demand	Anodyne	GPR119	26	43
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCCC2CCC2)C1	ZINC000852090461	EF	On-Demand	Anodyne	GPR119	26	43
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852090477	GG	On-Demand	Anodyne	EPHX2	49	38
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852090477	GG	On-Demand	Anodyne	GPR119	38	49
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852090478	GG	On-Demand	Anodyne	EPHX2	49	38
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852090478	GG	On-Demand	Anodyne	GPR119	38	49
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852090482	GF	On-Demand	Anodyne	CCR8	31	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852090482	GF	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852090483	GF	On-Demand	Anodyne	CCR8	31	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852090483	GF	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCc2ccoc2)C1	ZINC000852090487	DE	On-Demand	Anodyne	GPR119	41	39
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCc2ccoc2)C1	ZINC000852090488	DE	On-Demand	Anodyne	GPR119	41	39
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852090493	EE	On-Demand	Anodyne	EPHX2	29	47
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852090494	EE	On-Demand	Anodyne	EPHX2	29	47
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852090495	EE	On-Demand	Anodyne	EPHX2	29	47
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852090496	EE	On-Demand	Anodyne	EPHX2	29	47
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCc3c(cccc3C(N)=O)C2)C1	ZINC000852090501	GD	On-Demand	Anodyne	GPR119	27	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCc3c(cccc3C(N)=O)C2)C1	ZINC000852090502	GD	On-Demand	Anodyne	GPR119	27	40
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	HTR1A	27	57
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	DRD2	36	57
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	DRD4	20	57
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	HTR2A	29	41
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	HTR2C	27	40
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	DRD3	71	57
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	HRH3	15	41
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	CHRNA7	23	48
O=C(NCCCCCN1CCCCC1)NNC(=O)c1cccc(F)n1	ZINC000852090503	FD	On-Demand	Reactive	HNMT	57	37
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852090512	GE	On-Demand	Anodyne	SCN2A	17	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852090512	GE	On-Demand	Anodyne	SCN10A	26	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852090512	GE	On-Demand	Anodyne	GPR119	47	44
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852090513	GE	On-Demand	Anodyne	SCN2A	17	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852090513	GE	On-Demand	Anodyne	SCN10A	26	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852090513	GE	On-Demand	Anodyne	GPR119	47	44
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCC2(C#N)CCCCC2)C1	ZINC000852090538	FF	On-Demand	Mild	EPHX2	18	43
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCC2(C#N)CCCCC2)C1	ZINC000852090539	FF	On-Demand	Mild	EPHX2	18	43
CC(C)(C)OC(=O)N1CCO[C@@H](CN[C@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852090549	GE	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCO[C@H](CN[C@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852090550	GE	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCO[C@@H](CN[C@@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852090551	GE	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCO[C@H](CN[C@@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852090552	GE	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852090553	GE	On-Demand	Anodyne	CACNA1I	46	37
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852090554	GE	On-Demand	Anodyne	CACNA1I	46	37
O=C(NCCCCCN1CCCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852090566	GG	On-Demand	Anodyne	HRH2	23	41
O=C(NCCCCCN1CCCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852090566	GG	On-Demand	Anodyne	CHRNA7	15	47
O=C(NCCCCCN1CCCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852090566	GG	On-Demand	Anodyne	HNMT	40	33
O=C(NCCCCCN1CCCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852090567	GG	On-Demand	Anodyne	HRH2	23	41
O=C(NCCCCCN1CCCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852090567	GG	On-Demand	Anodyne	CHRNA7	15	47
O=C(NCCCCCN1CCCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852090567	GG	On-Demand	Anodyne	HNMT	40	33
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090568	GF	On-Demand	Anodyne	EPHX2	38	45
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090569	GF	On-Demand	Anodyne	EPHX2	38	45
CC[C@@H](C)CCNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090575	DF	On-Demand	Anodyne	EPHX2	18	40
CC[C@@H](C)CCNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090575	DF	On-Demand	Anodyne	GPR119	24	41
CC[C@@H](C)CCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090576	DF	On-Demand	Anodyne	EPHX2	18	40
CC[C@@H](C)CCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852090576	DF	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852090601	FE	On-Demand	Anodyne	EPHX2	28	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852090601	FE	On-Demand	Anodyne	GPR119	35	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852090602	FE	On-Demand	Anodyne	EPHX2	28	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852090602	FE	On-Demand	Anodyne	GPR119	35	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852090603	FE	On-Demand	Anodyne	EPHX2	28	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852090603	FE	On-Demand	Anodyne	GPR119	35	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852090604	FE	On-Demand	Anodyne	EPHX2	28	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852090604	FE	On-Demand	Anodyne	GPR119	35	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2CS(C)(=O)=O)C1	ZINC000852090626	GD	On-Demand	Anodyne	WNT3	53	37
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2CS(C)(=O)=O)C1	ZINC000852090627	GD	On-Demand	Anodyne	WNT3	53	37
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852090628	GG	On-Demand	Anodyne	CCR8	66	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852090628	GG	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852090629	GG	On-Demand	Anodyne	CCR8	66	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852090629	GG	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852090630	GG	On-Demand	Anodyne	CCR8	66	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852090630	GG	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852090631	GG	On-Demand	Anodyne	CCR8	66	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852090631	GG	On-Demand	Anodyne	GPR119	31	42
O=C(NCCCCCN1CCCCC1)NCc1ncccn1	ZINC000852090644	DD	On-Demand	Anodyne	HTR1A	33	45
O=C(NCCCCCN1CCCCC1)NCc1ncccn1	ZINC000852090644	DD	On-Demand	Anodyne	HRH2	27	44
O=C(NCCCCCN1CCCCC1)NCc1ncccn1	ZINC000852090644	DD	On-Demand	Anodyne	HTR2A	20	43
O=C(NCCCCCN1CCCCC1)NCc1ncccn1	ZINC000852090644	DD	On-Demand	Anodyne	DRD3	55	40
O=C(NCCCCCN1CCCCC1)NCc1ncccn1	ZINC000852090644	DD	On-Demand	Anodyne	HRH3	38	47
O=C(NCCCCCN1CCCCC1)NCc1ncccn1	ZINC000852090644	DD	On-Demand	Anodyne	CCR3	16	40
O=C(NCCCCCN1CCCCC1)NCc1ncccn1	ZINC000852090644	DD	On-Demand	Anodyne	CHRNA7	21	56
O=C(NCCCCCN1CCCCC1)NCc1ncccn1	ZINC000852090644	DD	On-Demand	Anodyne	HNMT	108	47
CC(C)(CO)[C@H](NC[C@@H](O)c1ccccn1)c1cccnc1	ZINC000852090654	DD	On-Demand	Anodyne	ADRB3	27	40
CC(C)(CO)[C@H](NC[C@H](O)c1ccccn1)c1cccnc1	ZINC000852090655	DD	On-Demand	Anodyne	ADRB3	27	40
COCC1(NCCC(=O)OCc2ccccc2)CCOCC1	ZINC000852090658	DD	On-Demand	Anodyne	CAPNS1	42	32
COCC1(NCCC(=O)OCc2ccccc2)CCOCC1	ZINC000852090658	DD	On-Demand	Anodyne	CAPN2	52	33
COCC1(NCCC(=O)OCc2ccccc2)CCOCC1	ZINC000852090658	DD	On-Demand	Anodyne	NPR	47	32
COCC1(NCCC(=O)OCc2ccccc2)CCOCC1	ZINC000852090658	DD	On-Demand	Anodyne	SLC12A5	68	42
CCSC1(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852090666	EF	On-Demand	Anodyne	EPHX2	20	42
CCSC1(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852090667	EF	On-Demand	Anodyne	EPHX2	20	42
COCC1(NCC(=O)NNC(=O)c2cccc(C)c2)CCOCC1	ZINC000852090676	EC	On-Demand	Reactive	KCNK3	53	37
COCC1(NCC(=O)NNC(=O)c2cccc(C)c2)CCOCC1	ZINC000852090676	EC	On-Demand	Reactive	KCNK9	43	37
O=C(NCCCCCN1CCCCC1)NNc1ccc(Cl)cn1	ZINC000852090689	EG	On-Demand	Reactive	DRD2	31	41
O=C(NCCCCCN1CCCCC1)NNc1ccc(Cl)cn1	ZINC000852090689	EG	On-Demand	Reactive	HRH2	23	40
O=C(NCCCCCN1CCCCC1)NNc1ccc(Cl)cn1	ZINC000852090689	EG	On-Demand	Reactive	DRD3	53	40
O=C(NCCCCCN1CCCCC1)NNc1ccc(Cl)cn1	ZINC000852090689	EG	On-Demand	Reactive	HRH3	30	49
O=C(NCCCCCN1CCCCC1)NNc1ccc(Cl)cn1	ZINC000852090689	EG	On-Demand	Reactive	CCR1	23	40
O=C(NCCCCCN1CCCCC1)NNc1ccc(Cl)cn1	ZINC000852090689	EG	On-Demand	Reactive	CHRNA7	22	56
O=C(NCCCCCN1CCCCC1)NNc1ccc(Cl)cn1	ZINC000852090689	EG	On-Demand	Reactive	HNMT	76	44
O[C@@H]1CCCC[C@H]1N1CCC2(CC1)OCCCO2	ZINC000852090749	CD	On-Demand	Anodyne	SLC18A3	43	53
N#Cc1ccc(CCN2CCC3(CC2)OCCCO3)cc1	ZINC000852090750	CE	On-Demand	Mild	HRH3	16	51
N#Cc1ccc(CCN2CCC3(CC2)OCCCO3)cc1	ZINC000852090750	CE	On-Demand	Mild	SIGMAR1	23	43
N#Cc1ccc(CCN2CCC3(CC2)OCCCO3)cc1	ZINC000852090750	CE	On-Demand	Mild	L3MBTL3	23	44
N#Cc1ccc(CCN2CCC3(CC2)OCCCO3)cc1	ZINC000852090750	CE	On-Demand	Mild	KCNJ1	58	63
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cnc(C(F)(F)F)nc2)C1	ZINC000852090755	GE	On-Demand	Anodyne	GPR119	46	39
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cnc(C(F)(F)F)nc2)C1	ZINC000852090755	GE	On-Demand	Anodyne	SFRP1	53	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cnc(C(F)(F)F)nc2)C1	ZINC000852090758	GE	On-Demand	Anodyne	GPR119	46	39
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cnc(C(F)(F)F)nc2)C1	ZINC000852090758	GE	On-Demand	Anodyne	SFRP1	53	40
COC(=O)N(C)CCNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852090766	ED	On-Demand	Anodyne	ACHE	25	41
COC(=O)N(C)CCNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852090766	ED	On-Demand	Anodyne	CCR1	22	43
CC(C)(CO)[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccnc1	ZINC000852090806	FH	On-Demand	Anodyne	ADRB2	20	52
CC(C)(CO)[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccnc1	ZINC000852090806	FH	On-Demand	Anodyne	ADRB1	23	40
CC(C)(CO)[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccnc1	ZINC000852090806	FH	On-Demand	Anodyne	ADRB3	53	41
CC(C)(CO)[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccnc1	ZINC000852090806	FH	On-Demand	Anodyne	CYP51A1	15	42
CC(C)(CO)[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccnc1	ZINC000852090813	FH	On-Demand	Anodyne	ADRB2	20	52
CC(C)(CO)[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccnc1	ZINC000852090813	FH	On-Demand	Anodyne	ADRB1	23	40
CC(C)(CO)[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccnc1	ZINC000852090813	FH	On-Demand	Anodyne	ADRB3	53	41
CC(C)(CO)[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccnc1	ZINC000852090813	FH	On-Demand	Anodyne	CYP51A1	15	42
O=C1CCC2=C(CCN(C(=O)NCc3ccc(OCCN4CCCC4)cc3)C2)N1	ZINC000852090846	GE	On-Demand	Anodyne	ESR1	70	36
O=C1CCC2=C(CCN(C(=O)NCc3ccc(OCCN4CCCC4)cc3)C2)N1	ZINC000852090846	GE	On-Demand	Anodyne	ESR2	48	36
O=C1CCC2=C(CCN(C(=O)NCc3ccc(OCCN4CCCC4)cc3)C2)N1	ZINC000852090846	GE	On-Demand	Anodyne	LTA4H	48	43
O=C1CCC2=C(CCN(C(=O)NCc3ccc(OCCN4CCCC4)cc3)C2)N1	ZINC000852090846	GE	On-Demand	Anodyne	HRH3	43	41
O=C1CCC2=C(CCN(C(=O)NCc3ccc(OCCN4CCCC4)cc3)C2)N1	ZINC000852090846	GE	On-Demand	Anodyne	PSMB2	40	41
O=C1CCC2=C(CCN(C(=O)NCc3ccc(OCCN4CCCC4)cc3)C2)N1	ZINC000852090846	GE	On-Demand	Anodyne	PSMB1	44	41
O=C1NCCCN(Cc2cccc(F)n2)[C@H]1Cc1ccccc1	ZINC000852090856	DE	On-Demand	Anodyne	GHRL	50	31
O=C1NCCCN(Cc2cccc(F)n2)[C@@H]1Cc1ccccc1	ZINC000852090857	DE	On-Demand	Anodyne	GHRL	50	31
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccc(Br)cc1F	ZINC000852090867	FG	On-Demand	Anodyne	P2RX7	28	48
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccc(Br)cc1F	ZINC000852090869	FG	On-Demand	Anodyne	P2RX7	28	48
O=C(CON=Cc1cccs1)Nc1ccc(F)cc1F	ZINC000852090871	CG	On-Demand	Mild	CA5B	16	41
O=C(CON=Cc1cccs1)Nc1ccc(F)cc1F	ZINC000852090871	CG	On-Demand	Mild	CA5A	19	41
CC(C)(CO)[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccnc1	ZINC000852090882	ED	On-Demand	Anodyne	KCNA5	21	41
CC(C)(CO)[C@H](NCC(=O)Nc1ccc(O)cc1)c1cccnc1	ZINC000852090886	EE	On-Demand	Anodyne	ADRB3	29	40
O=C(NCCOCCF)NCc1ccc(Br)cc1F	ZINC000852090888	EE	On-Demand	Anodyne	AKR1B1	19	43
Cn1ncc(C2CCC2)c1CNC(=O)NCc1ccc(Br)cc1F	ZINC000852090889	GH	On-Demand	Anodyne	P2RX7	36	45
CC(C)(CO)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccnc1	ZINC000852090895	ED	On-Demand	Anodyne	KCNA5	21	41
O=C(CON=Cc1cccs1)Nc1ccc(F)cc1Cl	ZINC000852090898	DH	On-Demand	Mild	CA5B	16	40
O=C(CON=Cc1cccs1)Nc1ccc(F)cc1Cl	ZINC000852090898	DH	On-Demand	Mild	CA5A	19	40
Cn1ncc(C2CC2)c1CNC(=O)NCc1ccc(Br)cc1F	ZINC000852090899	GG	On-Demand	Anodyne	P2RX7	42	47
COC(=O)Cc1ccccc1CN[C@@H](c1cccnc1)C(C)(C)CO	ZINC000852090904	EF	On-Demand	Anodyne	KCNA5	23	42
COC(=O)Cc1ccccc1CN[C@H](c1cccnc1)C(C)(C)CO	ZINC000852090905	EF	On-Demand	Anodyne	KCNA5	23	42
CC(C)(CO)[C@H](NCC(=O)Nc1cccnc1Cl)c1cccnc1	ZINC000852090918	EE	On-Demand	Anodyne	G2YM83_BOTF4	56	31
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Br)cc2F)C1	ZINC000852090925	FF	On-Demand	Anodyne	AKR1B1	15	41
C=C[C@H](CO)NC(=O)NCc1ccc(Br)cc1F	ZINC000852090927	DD	On-Demand	Mild	AKR1B1	17	42
CCOC(=O)N1CCC(NC(=O)CN[C@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852090936	GD	On-Demand	Anodyne	GRIN2B	19	40
CCOC(=O)N1CCC(NC(=O)CN[C@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852090936	GD	On-Demand	Anodyne	C3AR1	45	41
CCOC(=O)N1CCC(NC(=O)CN[C@@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852090938	GD	On-Demand	Anodyne	GRIN2B	19	40
CCOC(=O)N1CCC(NC(=O)CN[C@@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852090938	GD	On-Demand	Anodyne	C3AR1	45	41
CC(C)(CO)[C@H](NCC(=O)Nc1ccc2nc(O)[nH]c2c1)c1cccnc1	ZINC000852090964	FD	On-Demand	Anodyne	ENPP1	42	34
COCC1(NC[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCOCC1	ZINC000852090974	EF	On-Demand	Anodyne	LUCI_PHOPY	80	47
COCC1(NC[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCOCC1	ZINC000852090975	EF	On-Demand	Anodyne	LUCI_PHOPY	80	47
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC2CCC3(CC2)CC3(F)F)C1	ZINC000852090976	FG	On-Demand	Anodyne	EPHX2	28	45
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC2CCC3(CC2)CC3(F)F)C1	ZINC000852090977	FG	On-Demand	Anodyne	EPHX2	28	45
CC(C)(C)OC(=O)N1CC[C@@H](CCN[C@@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852090985	GG	On-Demand	Anodyne	GPR119	41	42
c1ccc2c(CCN3CCC4(CC3)OCCCO4)nsc2c1	ZINC000852091062	DG	On-Demand	Anodyne	HTR1A	15	40
c1ccc2c(CCN3CCC4(CC3)OCCCO4)nsc2c1	ZINC000852091062	DG	On-Demand	Anodyne	DRD2	19	41
CC(C)(C)OC(=O)N1CC[C@H](CCN[C@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852091086	GG	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CC[C@@H](CCN[C@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852091087	GG	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CC[C@H](CCN[C@@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852091088	GG	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852091097	DD	On-Demand	Anodyne	EPHX2	34	43
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852091097	DD	On-Demand	Anodyne	GPR119	52	48
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852091098	DD	On-Demand	Anodyne	EPHX2	34	43
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852091098	DD	On-Demand	Anodyne	GPR119	52	48
COC(=O)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(F)c1	ZINC000852091106	GE	On-Demand	Anodyne	EPHX2	37	43
COC(=O)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(F)c1	ZINC000852091106	GE	On-Demand	Anodyne	GPR119	40	45
COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(F)c1	ZINC000852091107	GE	On-Demand	Anodyne	EPHX2	37	43
COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(F)c1	ZINC000852091107	GE	On-Demand	Anodyne	GPR119	40	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)nc3)C2)cc1	ZINC000852091110	FF	On-Demand	Clean	MTNR1A	27	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)nc3)C2)cc1	ZINC000852091110	FF	On-Demand	Clean	MTNR1B	18	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)nc3)C2)cc1	ZINC000852091110	FF	On-Demand	Clean	MCHR1	18	49
O=C(NCCCCCN1CCCCC1)N[C@H]1C=CCC1	ZINC000852091128	CF	On-Demand	Anodyne	CCR3	19	42
O=C(NCCCCCN1CCCCC1)N[C@@H]1C=CCC1	ZINC000852091129	CF	On-Demand	Anodyne	CCR3	19	42
COCC1(NCCCC2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1	ZINC000852091138	FG	On-Demand	Anodyne	GPR119	29	48
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852091139	FD	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852091140	FD	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852091141	FD	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852091142	FD	On-Demand	Anodyne	GPR119	29	41
O=C(NCCCCCN1CCCCC1)N1CCn2ncc(Br)c2C1	ZINC000852091149	GF	On-Demand	Anodyne	HNMT	41	33
C=CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852091161	GF	On-Demand	Mild	EPHX2	18	47
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)C1	ZINC000852091162	GF	On-Demand	Anodyne	EPHX2	19	43
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)C1	ZINC000852091163	GF	On-Demand	Anodyne	EPHX2	19	43
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852091166	GF	On-Demand	Anodyne	GPR119	40	44
COc1cccc(OC)c1CNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852091167	GF	On-Demand	Anodyne	GPR119	40	44
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	HTR1A	40	42
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	DRD2	44	42
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	DRD4	45	36
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	HRH2	33	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	HTR2A	26	42
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	DRD3	78	44
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	HTR4	41	44
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	HRH3	50	39
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	CCR3	32	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	MTNR1A	23	44
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	MTNR1B	19	44
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	EPHX2	20	42
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	MCHR1	20	49
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCCC3)C2)cc1	ZINC000852091174	GG	On-Demand	Clean	EHMT2	72	35
COCC1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCOCC1	ZINC000852091176	FD	On-Demand	Bother	CACNA1D	45	34
Cc1ccc(NC(=O)CON=Cc2cccs2)cc1S(=O)(=O)N1CCOCC1	ZINC000852091183	HE	On-Demand	Mild	LPL	44	40
Cc1ccc(NC(=O)CON=Cc2cccs2)cc1S(=O)(=O)N1CCOCC1	ZINC000852091183	HE	On-Demand	Mild	CNR2	15	55
Cc1ccc(NC(=O)CON=Cc2cccs2)cc1S(=O)(=O)N1CCOCC1	ZINC000852091183	HE	On-Demand	Mild	NR1H4	21	46
Cc1ccc(NC(=O)CON=Cc2cccs2)cc1S(=O)(=O)N1CCOCC1	ZINC000852091183	HE	On-Demand	Mild	LIPG	18	40
COCC1(NC[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1	ZINC000852091187	FD	On-Demand	Anodyne	GPR119	24	41
COCC1(NC[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1	ZINC000852091189	FD	On-Demand	Anodyne	GPR119	24	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(Br)cc1F	ZINC000852091230	FH	On-Demand	Mild	AKR1B1	19	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(Br)cc1F	ZINC000852091230	FH	On-Demand	Mild	P2RX7	27	51
O=C(NCc1ccc(Br)cc1F)N1CC[C@H]2C[C@@H]2C1	ZINC000852091231	EG	On-Demand	Anodyne	P2RX7	19	48
O=C(NCc1ccc(Br)cc1F)N1CC[C@H]2C[C@@H]2C1	ZINC000852091231	EG	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1ccc(Br)cc1F)N1CC[C@@H]2C[C@H]2C1	ZINC000852091232	EG	On-Demand	Anodyne	P2RX7	19	48
O=C(NCc1ccc(Br)cc1F)N1CC[C@@H]2C[C@H]2C1	ZINC000852091232	EG	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1ccc(Br)cc1F)N1CC[C@@H]2C[C@@H]2C1	ZINC000852091233	EG	On-Demand	Anodyne	P2RX7	19	48
O=C(NCc1ccc(Br)cc1F)N1CC[C@@H]2C[C@@H]2C1	ZINC000852091233	EG	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1ccc(Br)cc1F)N1CC[C@H]2C[C@H]2C1	ZINC000852091234	EG	On-Demand	Anodyne	P2RX7	19	48
O=C(NCc1ccc(Br)cc1F)N1CC[C@H]2C[C@H]2C1	ZINC000852091234	EG	On-Demand	Anodyne	EPHX2	15	43
Cc1cccc(C(=O)NNC(=O)CN[C@H](c2cccnc2)C(C)(C)CO)c1	ZINC000852091251	FD	On-Demand	Reactive	KCNK3	48	37
Cc1cccc(C(=O)NNC(=O)CN[C@@H](c2cccnc2)C(C)(C)CO)c1	ZINC000852091252	FD	On-Demand	Reactive	KCNK3	48	37
O=C(NCc1ccc(Br)cc1F)N[C@H]1CCNC1=O	ZINC000852091261	ED	On-Demand	Anodyne	P2RX7	20	48
O=C(NCc1ccc(Br)cc1F)N[C@@H]1CCNC1=O	ZINC000852091262	ED	On-Demand	Anodyne	P2RX7	20	48
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)O1	ZINC000852091297	GC	On-Demand	Reactive	CCR1	20	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)O1	ZINC000852091298	GC	On-Demand	Reactive	CCR1	20	41
C=CC[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1	ZINC000852091310	GG	On-Demand	Reactive	DRD2	16	41
C=CC[C@H]1CCCN(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)C1	ZINC000852091311	GG	On-Demand	Reactive	DRD2	16	41
O=C1NCCCN(CCOC(F)F)[C@@H]1Cc1ccccc1	ZINC000852091322	CD	On-Demand	Anodyne	GHRL	52	34
O=C1NCCCN(CCOC(F)F)[C@H]1Cc1ccccc1	ZINC000852091323	CD	On-Demand	Anodyne	GHRL	52	34
NC(=O)[C@](O)(CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091345	DD	On-Demand	Anodyne	CHRM2	22	47
NC(=O)[C@](O)(CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091345	DD	On-Demand	Anodyne	CHRM3	35	47
NC(=O)[C@](O)(CN1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091345	DD	On-Demand	Anodyne	CYP2J2	44	32
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091346	DD	On-Demand	Anodyne	CHRM2	22	47
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091346	DD	On-Demand	Anodyne	CHRM3	35	47
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091346	DD	On-Demand	Anodyne	CYP2J2	44	32
NC(=O)[C@@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091347	DD	On-Demand	Anodyne	CHRM2	22	47
NC(=O)[C@@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091347	DD	On-Demand	Anodyne	CHRM3	35	47
NC(=O)[C@@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852091347	DD	On-Demand	Anodyne	CYP2J2	44	32
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1)c1ccccc1	ZINC000852091348	DD	On-Demand	Anodyne	CHRM2	22	47
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1)c1ccccc1	ZINC000852091348	DD	On-Demand	Anodyne	CHRM3	35	47
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1)c1ccccc1	ZINC000852091348	DD	On-Demand	Anodyne	CYP2J2	44	32
O=C1NCCCN(CC(F)(F)Br)[C@@H]1Cc1ccccc1	ZINC000852091351	EE	On-Demand	Anodyne	GHRL	60	34
O=C1NCCCN(CC(F)(F)Br)[C@H]1Cc1ccccc1	ZINC000852091352	EE	On-Demand	Anodyne	GHRL	60	34
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ncccn1	ZINC000852091353	ED	On-Demand	Anodyne	DRD2	19	40
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ncccn1	ZINC000852091353	ED	On-Demand	Anodyne	DRD4	49	40
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ncccn1	ZINC000852091353	ED	On-Demand	Anodyne	ACHE	27	42
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ncccn1	ZINC000852091353	ED	On-Demand	Anodyne	DRD3	17	40
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ncccn1	ZINC000852091353	ED	On-Demand	Anodyne	SIGMAR1	37	41
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ncccn1	ZINC000852091353	ED	On-Demand	Anodyne	CCR1	23	45
c1ccc2c(c1)CC[C@H]2CCN1CCC2(CC1)OCCCO2	ZINC000852091362	DG	On-Demand	Anodyne	SIGMAR1	38	52
c1ccc2c(c1)CC[C@H]2CCN1CCC2(CC1)OCCCO2	ZINC000852091362	DG	On-Demand	Anodyne	EBP	37	52
c1ccc2c(c1)CC[C@@H]2CCN1CCC2(CC1)OCCCO2	ZINC000852091363	DG	On-Demand	Anodyne	SIGMAR1	38	52
c1ccc2c(c1)CC[C@@H]2CCN1CCC2(CC1)OCCCO2	ZINC000852091363	DG	On-Demand	Anodyne	EBP	37	52
O[C@@H]1CCC[C@H]1N1CCC2(CC1)OCCCO2	ZINC000852091368	BD	On-Demand	Anodyne	SLC18A3	38	49
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852091429	GG	On-Demand	Anodyne	CCR8	44	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852091429	GG	On-Demand	Anodyne	GPR119	38	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852091430	GG	On-Demand	Anodyne	CCR8	44	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852091430	GG	On-Demand	Anodyne	GPR119	38	41
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCc2nsc3ccccc23)C1	ZINC000852091435	GG	On-Demand	Anodyne	CCR8	40	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCc2nsc3ccccc23)C1	ZINC000852091436	GG	On-Demand	Anodyne	CCR8	40	40
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852091441	EF	On-Demand	Anodyne	EPHX2	19	44
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852091442	EF	On-Demand	Anodyne	EPHX2	19	44
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852091443	EF	On-Demand	Anodyne	EPHX2	19	44
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852091444	EF	On-Demand	Anodyne	EPHX2	19	44
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852091473	FE	On-Demand	Mild	GPR119	40	49
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852091474	FE	On-Demand	Mild	GPR119	40	49
Cc1ccncc1CCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852091476	EE	On-Demand	Anodyne	GPR119	44	44
Cc1ccncc1CCNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852091482	EE	On-Demand	Anodyne	GPR119	44	44
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852091486	FE	On-Demand	Reactive	GPR119	49	35
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852091490	FE	On-Demand	Reactive	GPR119	49	35
N#C[C@@H](c1ccccc1)N1CCC2(CC1)OCCCO2	ZINC000852091491	CE	On-Demand	Mild	PTAFR	23	40
N#C[C@H](c1ccccc1)N1CCC2(CC1)OCCCO2	ZINC000852091492	CE	On-Demand	Mild	PTAFR	23	40
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@@H]1C=CCC1	ZINC000852091522	CF	On-Demand	Anodyne	DRD2	15	46
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@@H]1C=CCC1	ZINC000852091522	CF	On-Demand	Anodyne	DRD4	48	46
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@@H]1C=CCC1	ZINC000852091522	CF	On-Demand	Anodyne	SIGMAR1	42	42
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@@H]1C=CCC1	ZINC000852091522	CF	On-Demand	Anodyne	CCR1	20	41
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@H]1C=CCC1	ZINC000852091523	CF	On-Demand	Anodyne	DRD2	15	46
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@H]1C=CCC1	ZINC000852091523	CF	On-Demand	Anodyne	DRD4	48	46
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@H]1C=CCC1	ZINC000852091523	CF	On-Demand	Anodyne	SIGMAR1	42	42
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@H]1C=CCC1	ZINC000852091523	CF	On-Demand	Anodyne	CCR1	20	41
Cc1ccc(NC(=O)CON=Cc2cccs2)c(Br)c1	ZINC000852091528	FH	On-Demand	Mild	CA5B	17	40
Cc1ccc(NC(=O)CON=Cc2cccs2)c(Br)c1	ZINC000852091528	FH	On-Demand	Mild	CA5A	19	40
c1ccc([C@@H]2CC[C@@H](CN3CCC4(CC3)OCCCO4)C2)cc1	ZINC000852091539	DH	On-Demand	Anodyne	SIGMAR1	23	42
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2F)C1	ZINC000852091596	EF	On-Demand	Anodyne	AKR1B1	18	42
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2F)C1	ZINC000852091596	EF	On-Demand	Anodyne	P2RX7	15	47
O=C(NCCO[C@@H]1CC1(F)F)NCc1ccc(Br)cc1F	ZINC000852091642	FF	On-Demand	Anodyne	AKR1B1	20	41
O=C(NCCO[C@H]1CC1(F)F)NCc1ccc(Br)cc1F	ZINC000852091643	FF	On-Demand	Anodyne	AKR1B1	20	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(Br)cc1F	ZINC000852091650	GH	On-Demand	Anodyne	AKR1B1	15	40
CC(C)(CO)[C@H](NCCC(=O)N1CCCC1)c1cccnc1	ZINC000852091656	DD	On-Demand	Anodyne	PTAFR	29	49
CC(C)(CO)[C@H](NCCC(=O)N1CCCC1)c1cccnc1	ZINC000852091656	DD	On-Demand	Anodyne	C3AR1	45	42
COc1ccc2c(CN[C@@H](c3cccnc3)C(C)(C)CO)cc(=O)oc2c1	ZINC000852091663	FG	On-Demand	Anodyne	CYP19A1	18	46
COc1ccc2c(CN[C@@H](c3cccnc3)C(C)(C)CO)cc(=O)oc2c1	ZINC000852091663	FG	On-Demand	Anodyne	CYP11B1	18	44
COc1ccc2c(CN[C@@H](c3cccnc3)C(C)(C)CO)cc(=O)oc2c1	ZINC000852091663	FG	On-Demand	Anodyne	MAOB	36	43
COc1ccc2c(CN[C@@H](c3cccnc3)C(C)(C)CO)cc(=O)oc2c1	ZINC000852091663	FG	On-Demand	Anodyne	CYP11B2	15	44
COc1ccc2c(CN[C@H](c3cccnc3)C(C)(C)CO)cc(=O)oc2c1	ZINC000852091665	FG	On-Demand	Anodyne	CYP19A1	18	46
COc1ccc2c(CN[C@H](c3cccnc3)C(C)(C)CO)cc(=O)oc2c1	ZINC000852091665	FG	On-Demand	Anodyne	CYP11B1	18	44
COc1ccc2c(CN[C@H](c3cccnc3)C(C)(C)CO)cc(=O)oc2c1	ZINC000852091665	FG	On-Demand	Anodyne	MAOB	36	43
COc1ccc2c(CN[C@H](c3cccnc3)C(C)(C)CO)cc(=O)oc2c1	ZINC000852091665	FG	On-Demand	Anodyne	CYP11B2	15	44
CC(C)(CO)[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1	ZINC000852091698	GF	On-Demand	Anodyne	ADRB3	31	42
CC(C)(CO)[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1	ZINC000852091698	GF	On-Demand	Anodyne	TBXAS1	39	42
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852091700	GF	On-Demand	Anodyne	ESR1	94	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852091700	GF	On-Demand	Anodyne	HRH2	31	43
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852091700	GF	On-Demand	Anodyne	ESR2	65	42
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852091700	GF	On-Demand	Anodyne	LTA4H	69	49
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852091700	GF	On-Demand	Anodyne	HRH3	69	47
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852091700	GF	On-Demand	Anodyne	TNK2	15	43
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852091700	GF	On-Demand	Anodyne	PSMB2	46	48
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852091700	GF	On-Demand	Anodyne	PSMB1	50	48
O=C(NCc1ccc(Br)cc1F)NCC1CCN(CC2CC2)CC1	ZINC000852091703	GH	On-Demand	Anodyne	P2RX7	20	46
O=C(NCc1ccc(Br)cc1F)NCC1CCN(CC2CC2)CC1	ZINC000852091703	GH	On-Demand	Anodyne	CACNA1I	60	36
CC(C)(CO)[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccnc1	ZINC000852091707	FH	On-Demand	Anodyne	LUCI_PHOPY	62	42
CC(C)(CO)[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccnc1	ZINC000852091709	FH	On-Demand	Anodyne	LUCI_PHOPY	62	42
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NNC(=O)c1cccc(F)n1	ZINC000852091767	FD	On-Demand	Reactive	DRD4	38	41
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NNC(=O)c1cccc(F)n1	ZINC000852091767	FD	On-Demand	Reactive	CCR1	22	43
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NNC(=O)c1cccc(F)n1	ZINC000852091767	FD	On-Demand	Reactive	MLNR	52	34
O=C(CON=Cc1cccs1)Nc1ccc(Cl)cc1	ZINC000852091799	CG	On-Demand	Mild	IMDH_CRYPV	21	42
O=C(CON=Cc1cccs1)NCCCc1ccccc1	ZINC000852091801	DF	On-Demand	Mild	AMP1_PLAFQ	21	40
O=C(NCc1ccc(Br)cc1F)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852091852	EH	On-Demand	Anodyne	AKR1B1	20	40
O=C(NCc1ccc(Br)cc1F)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852091852	EH	On-Demand	Anodyne	P2RX7	26	50
O=C(NCc1ccc(Br)cc1F)N[C@@H]1C=CCC1	ZINC000852091862	DG	On-Demand	Anodyne	AKR1B1	19	40
O=C(NCc1ccc(Br)cc1F)N[C@@H]1C=CCC1	ZINC000852091862	DG	On-Demand	Anodyne	P2RX7	28	47
O=C(NCc1ccc(Br)cc1F)N[C@H]1C=CCC1	ZINC000852091863	DG	On-Demand	Anodyne	AKR1B1	19	40
O=C(NCc1ccc(Br)cc1F)N[C@H]1C=CCC1	ZINC000852091863	DG	On-Demand	Anodyne	P2RX7	28	47
CC(C)(C)N1CC[C@@H](NC(=O)NCc2ccc(Br)cc2F)C1	ZINC000852091864	FG	On-Demand	Anodyne	P2RX7	37	48
CC(C)(C)N1CC[C@H](NC(=O)NCc2ccc(Br)cc2F)C1	ZINC000852091865	FG	On-Demand	Anodyne	P2RX7	37	48
CC(C)(CO)[C@H](NCC(=O)OCc1ccccc1)c1cccnc1	ZINC000852091909	EE	On-Demand	Anodyne	CYSP_TRYCR	28	41
CC(C)(CO)[C@H](NCC(=O)OCc1ccccc1)c1cccnc1	ZINC000852091909	EE	On-Demand	Anodyne	CAPN2	47	40
COC(=O)N(C)CCNC(=O)NCc1ccc(Br)cc1F	ZINC000852091913	FE	On-Demand	Anodyne	AKR1B1	19	41
C#C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1	ZINC000852091981	FE	On-Demand	Mild	SIGMAR1	31	41
C#C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1	ZINC000852091981	FE	On-Demand	Mild	BIRC2	15	41
C#C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1	ZINC000852091982	FE	On-Demand	Mild	SIGMAR1	31	41
C#C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1	ZINC000852091982	FE	On-Demand	Mild	BIRC2	15	41
O=C(CON=Cc1cccs1)NC1CCCCC1	ZINC000852092002	CF	On-Demand	Mild	EPHX2	16	42
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCCC1SCCS1	ZINC000852092028	FG	On-Demand	Anodyne	DRD4	37	40
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCCC1SCCS1	ZINC000852092028	FG	On-Demand	Anodyne	ACHE	31	43
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCCC1SCCS1	ZINC000852092028	FG	On-Demand	Anodyne	SIGMAR1	33	40
CC(C)(CO)[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccnc1	ZINC000852092050	GD	On-Demand	Reactive	CTSG	16	40
CC(C)(CO)[C@H](NCC(=O)NNC(=O)c1ccc(C#N)cc1)c1cccnc1	ZINC000852092050	GD	On-Demand	Reactive	CTRB_BOVIN	45	34
CC(C)(CO)[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccnc1	ZINC000852092065	FF	On-Demand	Anodyne	ADRB3	16	40
CC(C)(CO)[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccnc1	ZINC000852092065	FF	On-Demand	Anodyne	PTAFR	17	41
CC(C)(CO)[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccnc1	ZINC000852092065	FF	On-Demand	Anodyne	C3AR1	42	41
CC(C)(CO)[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccnc1	ZINC000852092066	FF	On-Demand	Anodyne	ADRB3	16	40
CC(C)(CO)[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccnc1	ZINC000852092066	FF	On-Demand	Anodyne	PTAFR	17	41
CC(C)(CO)[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccnc1	ZINC000852092066	FF	On-Demand	Anodyne	C3AR1	42	41
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA2	70	47
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	ADRB2	22	41
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	ADRB1	19	40
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	ADRB3	91	43
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	TBXAS1	36	40
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA1	64	42
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA7	47	42
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA5B	34	42
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA4	36	40
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA5A	34	42
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA14	45	43
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA12	48	47
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CA9	59	47
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	CYNT	41	42
CC(C)(CO)[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccnc1	ZINC000852092068	FD	On-Demand	Anodyne	NAMPT	22	42
Cc1ccc(OCCN[C@H](c2cccnc2)C(C)(C)CO)cc1	ZINC000852092080	DG	On-Demand	Anodyne	ADRB3	15	46
Cc1ccc(OCCN[C@@H](c2cccnc2)C(C)(C)CO)cc1	ZINC000852092081	DG	On-Demand	Anodyne	ADRB3	15	46
C#CCN1CCN(C(=O)CN[C@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852092082	EC	On-Demand	Mild	PTAFR	39	48
C#CCN1CCN(C(=O)CN[C@@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852092083	EC	On-Demand	Mild	PTAFR	39	48
C=CCOCCCNC(=O)NCc1ccc(Br)cc1F	ZINC000852092104	EF	On-Demand	Mild	AKR1B1	19	40
O=C1CCC2=C(CCN(C(=O)NCc3ccc(Br)cc3F)C2)N1	ZINC000852092122	GF	On-Demand	Anodyne	AKR1B1	21	40
CC(C)(CO)[C@H](NCCC(=O)NC(=O)Nc1ccccc1)c1cccnc1	ZINC000852092136	FE	On-Demand	Anodyne	NAMPT	31	41
Nc1cccc(CN2CCC3(CC2)OCCCO3)c1	ZINC000852092157	CD	On-Demand	Anodyne	SIGMAR1	38	41
O=C(NCc1ccc(Br)cc1F)N1CCC(c2ccon2)CC1	ZINC000852092248	GH	On-Demand	Anodyne	EPHX2	15	41
COC1CC(CCNC(=O)NCc2ccc(Br)cc2F)C1	ZINC000852092281	FG	On-Demand	Anodyne	TRPV1	43	33
COC1CC(CCNC(=O)NCc2ccc(Br)cc2F)C1	ZINC000852092281	FG	On-Demand	Anodyne	P2RX7	15	49
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852092291	GE	On-Demand	Anodyne	DRD4	30	41
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852092291	GE	On-Demand	Anodyne	CCR1	21	42
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852092293	GE	On-Demand	Anodyne	DRD4	30	41
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852092293	GE	On-Demand	Anodyne	CCR1	21	42
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852092328	FC	On-Demand	Reactive	CCR1	20	41
C[C@@]1(CNC(=O)NCc2ccc(Br)cc2F)CC1(F)F	ZINC000852092403	FG	On-Demand	Anodyne	AKR1B1	20	41
C[C@@]1(CNC(=O)NCc2ccc(Br)cc2F)CC1(F)F	ZINC000852092403	FG	On-Demand	Anodyne	P2RX7	15	47
CC(C)(CO)[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1	ZINC000852092407	FG	On-Demand	Anodyne	ADRB3	20	41
CC(C)(CO)[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccnc1	ZINC000852092407	FG	On-Demand	Anodyne	NAMPT	37	50
O=C(CON=Cc1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852092434	HD	On-Demand	Mild	F13A1	44	41
O=C1CC[C@H](CN2CCCNC(=O)[C@@H]2Cc2ccccc2)O1	ZINC000852092498	DD	On-Demand	Anodyne	GHRL	100	38
O=C1CC[C@@H](CN2CCCNC(=O)[C@@H]2Cc2ccccc2)O1	ZINC000852092499	DD	On-Demand	Anodyne	GHRL	100	38
O=C1CC[C@H](CN2CCCNC(=O)[C@H]2Cc2ccccc2)O1	ZINC000852092500	DD	On-Demand	Anodyne	GHRL	100	38
O=C1CC[C@@H](CN2CCCNC(=O)[C@H]2Cc2ccccc2)O1	ZINC000852092501	DD	On-Demand	Anodyne	GHRL	100	38
O=C(CON=Cc1cccs1)N1CCc2ccccc2C1	ZINC000852092577	DF	On-Demand	Mild	HDAC6	29	42
COC(=O)N(C)CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092598	GD	On-Demand	Anodyne	ESR1	81	39
COC(=O)N(C)CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092598	GD	On-Demand	Anodyne	HRH2	32	45
COC(=O)N(C)CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092598	GD	On-Demand	Anodyne	KCNH2	15	40
COC(=O)N(C)CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092598	GD	On-Demand	Anodyne	ESR2	57	39
COC(=O)N(C)CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092598	GD	On-Demand	Anodyne	LTA4H	63	47
COC(=O)N(C)CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092598	GD	On-Demand	Anodyne	HRH3	66	50
COC(=O)N(C)CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092598	GD	On-Demand	Anodyne	PSMB2	45	45
COC(=O)N(C)CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092598	GD	On-Demand	Anodyne	PSMB1	48	45
CN1CCN(C)[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852092599	DC	On-Demand	Reactive	F10	48	32
CN1CCN(C)[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852092600	DC	On-Demand	Reactive	F10	48	32
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC1SCCS1	ZINC000852092645	FF	On-Demand	Anodyne	DRD2	16	40
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC1SCCS1	ZINC000852092645	FF	On-Demand	Anodyne	DRD4	44	40
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC1SCCS1	ZINC000852092645	FF	On-Demand	Anodyne	SIGMAR1	44	42
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NCC1SCCS1	ZINC000852092645	FF	On-Demand	Anodyne	CCR1	23	41
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852092758	EF	On-Demand	Anodyne	DRD4	31	40
C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@H]1COC2(CCC2)C1	ZINC000852092759	EF	On-Demand	Anodyne	DRD4	31	40
c1ccc(COCCN2CCC3(CC2)OCCCO3)cc1	ZINC000852092765	CE	On-Demand	Anodyne	LTA4H	30	45
c1ccc(COCCN2CCC3(CC2)OCCCO3)cc1	ZINC000852092765	CE	On-Demand	Anodyne	HRH3	29	51
c1ccc(COCCN2CCC3(CC2)OCCCO3)cc1	ZINC000852092765	CE	On-Demand	Anodyne	SIGMAR1	55	40
c1ccc(COCCN2CCC3(CC2)OCCCO3)cc1	ZINC000852092765	CE	On-Demand	Anodyne	SLC12A5	45	34
CC(C)(CO)[C@H](NCc1cc(=O)oc2cc(O)ccc12)c1cccnc1	ZINC000852092770	FF	On-Demand	Anodyne	HSD17B3	39	49
O=C(NCCC1SCCS1)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092786	GG	On-Demand	Anodyne	ESR1	90	39
O=C(NCCC1SCCS1)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092786	GG	On-Demand	Anodyne	HRH2	36	46
O=C(NCCC1SCCS1)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092786	GG	On-Demand	Anodyne	ESR2	62	41
O=C(NCCC1SCCS1)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092786	GG	On-Demand	Anodyne	LTA4H	63	47
O=C(NCCC1SCCS1)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092786	GG	On-Demand	Anodyne	HRH3	61	45
O=C(NCCC1SCCS1)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092786	GG	On-Demand	Anodyne	PSMB2	44	46
O=C(NCCC1SCCS1)NCc1ccc(OCCN2CCCC2)cc1	ZINC000852092786	GG	On-Demand	Anodyne	PSMB1	48	46
O=C(NCc1ccc(Br)cc1F)NCC1SCCS1	ZINC000852092793	FG	On-Demand	Anodyne	AKR1B1	20	40
CC(C)(C)OC(=O)N1CC[C@@H](CN[C@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852092804	FF	On-Demand	Anodyne	GRIN2B	19	41
CC(C)(C)OC(=O)N1CC[C@@H](CN[C@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852092804	FF	On-Demand	Anodyne	GPR119	43	43
CC(C)(C)OC(=O)N1CC[C@H](CN[C@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852092805	FF	On-Demand	Anodyne	GRIN2B	19	41
CC(C)(C)OC(=O)N1CC[C@H](CN[C@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852092805	FF	On-Demand	Anodyne	GPR119	43	43
CC(C)(C)OC(=O)N1CC[C@@H](CN[C@@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852092806	FF	On-Demand	Anodyne	GRIN2B	19	41
CC(C)(C)OC(=O)N1CC[C@@H](CN[C@@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852092806	FF	On-Demand	Anodyne	GPR119	43	43
CC(C)(C)OC(=O)N1CC[C@H](CN[C@@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852092807	FF	On-Demand	Anodyne	GRIN2B	19	41
CC(C)(C)OC(=O)N1CC[C@H](CN[C@@H](c2cccnc2)C(C)(C)CO)C1	ZINC000852092807	FF	On-Demand	Anodyne	GPR119	43	43
O=C(NCc1ccc(Br)cc1F)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852092819	GH	On-Demand	Anodyne	CCR3	53	40
O=C(NCc1ccc(Br)cc1F)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852092820	GH	On-Demand	Anodyne	CCR3	53	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852092846	FF	On-Demand	Anodyne	ESR1	84	38
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852092846	FF	On-Demand	Anodyne	ESR2	58	38
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852092846	FF	On-Demand	Anodyne	LTA4H	60	45
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852092846	FF	On-Demand	Anodyne	HRH3	50	44
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852092846	FF	On-Demand	Anodyne	EPHX2	16	41
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852092846	FF	On-Demand	Anodyne	PSMB2	43	44
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852092846	FF	On-Demand	Anodyne	PSMB1	46	44
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852092847	FF	On-Demand	Anodyne	ESR1	84	38
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852092847	FF	On-Demand	Anodyne	ESR2	58	38
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852092847	FF	On-Demand	Anodyne	LTA4H	60	45
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852092847	FF	On-Demand	Anodyne	HRH3	50	44
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852092847	FF	On-Demand	Anodyne	EPHX2	16	41
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852092847	FF	On-Demand	Anodyne	PSMB2	43	44
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852092847	FF	On-Demand	Anodyne	PSMB1	46	44
Cc1ccncc1CCNC(=O)NCc1ccc(Br)cc1F	ZINC000852092863	FG	On-Demand	Anodyne	P2RX7	17	48
CC(C)(CO)[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccnc1	ZINC000852092872	GG	On-Demand	Anodyne	ADRB3	30	40
CC(C)(CO)[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccnc1	ZINC000852092872	GG	On-Demand	Anodyne	KCNQ2	18	43
CC(C)(CO)[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccnc1	ZINC000852092872	GG	On-Demand	Anodyne	CHRNA7	19	40
CC(C)(CO)[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccnc1	ZINC000852092872	GG	On-Demand	Anodyne	PRNP	37	40
O=C(CON=Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852092880	HD	On-Demand	Mild	TGM2	64	39
O=C(CON=Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852092880	HD	On-Demand	Mild	F13A1	88	39
O=C(CON=Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852092880	HD	On-Demand	Mild	NAMPT	26	44
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	ESR1	90	39
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	ACHE	21	44
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	HRH2	38	48
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	KCNH2	17	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	ESR2	63	39
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	LTA4H	95	55
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	HRH3	89	50
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	BCHE	22	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	HNMT	85	43
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	FLT3	21	46
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	PSMB2	50	51
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	PSMB1	54	51
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	TBK1	15	41
O=C(NCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852092898	FD	On-Demand	Anodyne	NAMPT	31	40
O=C1CC[C@@H]2CN(C(=O)NCc3ccc(Br)cc3F)CC[C@H]2N1	ZINC000852092899	GE	On-Demand	Anodyne	P2RX7	17	48
O=C1CC[C@H]2CN(C(=O)NCc3ccc(Br)cc3F)CC[C@@H]2N1	ZINC000852092900	GE	On-Demand	Anodyne	P2RX7	17	48
O=C1CC[C@@H]2CN(C(=O)NCc3ccc(Br)cc3F)CC[C@@H]2N1	ZINC000852092901	GE	On-Demand	Anodyne	P2RX7	17	48
O=C1CC[C@H]2CN(C(=O)NCc3ccc(Br)cc3F)CC[C@H]2N1	ZINC000852092902	GE	On-Demand	Anodyne	P2RX7	17	48
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852092905	EF	On-Demand	Anodyne	ESR1	88	39
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852092905	EF	On-Demand	Anodyne	HRH2	36	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852092905	EF	On-Demand	Anodyne	ESR2	61	39
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852092905	EF	On-Demand	Anodyne	LTA4H	70	47
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852092905	EF	On-Demand	Anodyne	HRH3	69	49
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852092905	EF	On-Demand	Anodyne	EPHX2	16	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852092905	EF	On-Demand	Anodyne	PSMB2	46	46
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852092905	EF	On-Demand	Anodyne	PSMB1	50	46
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852092906	EF	On-Demand	Anodyne	ESR1	88	39
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852092906	EF	On-Demand	Anodyne	HRH2	36	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852092906	EF	On-Demand	Anodyne	ESR2	61	39
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852092906	EF	On-Demand	Anodyne	LTA4H	70	47
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852092906	EF	On-Demand	Anodyne	HRH3	69	49
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852092906	EF	On-Demand	Anodyne	EPHX2	16	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852092906	EF	On-Demand	Anodyne	PSMB2	46	46
O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852092906	EF	On-Demand	Anodyne	PSMB1	50	46
CC[C@@H](C)c1ccc(NC(=O)CON=Cc2cccs2)cc1	ZINC000852092907	DI	On-Demand	Mild	SCN2A	15	43
CC(C)(CO)[C@H](NCC(=O)N1CCN(Cc2ccco2)CC1)c1cccnc1	ZINC000852092921	GD	On-Demand	Anodyne	PTAFR	22	45
CC(C)(C)OC(=O)N1CCN(CCN[C@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852092932	GE	On-Demand	Anodyne	PTAFR	23	41
CC(C)(C)OC(=O)N1CCN(CCN[C@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852092932	GE	On-Demand	Anodyne	GPR119	33	40
CC(C)(C)OC(=O)N1CCN(CCN[C@@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852092933	GE	On-Demand	Anodyne	PTAFR	23	41
CC(C)(C)OC(=O)N1CCN(CCN[C@@H](c2cccnc2)C(C)(C)CO)CC1	ZINC000852092933	GE	On-Demand	Anodyne	GPR119	33	40
CC(C)(CO)[C@H](NCCC(=O)OCc1ccccc1)c1cccnc1	ZINC000852092946	EF	On-Demand	Anodyne	CYSP_TRYCR	30	40
CC(C)(CO)[C@H](NCCC(=O)OCc1ccccc1)c1cccnc1	ZINC000852092946	EF	On-Demand	Anodyne	NPR	44	34
CC(C)(CO)[C@H](NCC(=O)Nc1ccc2ccccc2c1)c1cccnc1	ZINC000852092963	FH	On-Demand	Anodyne	ADRB3	30	40
O=C(CON=Cc1cccs1)Nc1ccc2ccccc2c1	ZINC000852092964	DH	On-Demand	Mild	IMDH_CRYPV	17	40
CCSC1(CNC(=O)NCc2ccc(Br)cc2F)CC1	ZINC000852092965	FH	On-Demand	Anodyne	AKR1B1	20	40
CCSC1(CNC(=O)NCc2ccc(Br)cc2F)CC1	ZINC000852092965	FH	On-Demand	Anodyne	P2RX7	18	47
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	ESR1	84	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	HTR2A	20	41
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	ESR2	59	40
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	LTA4H	64	53
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	HRH3	67	54
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	HNMT	52	38
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	FLT3	19	45
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	PSMB2	43	45
O=C(NCc1ccc(OCCN2CCCC2)cc1)NNc1ccc(Cl)cn1	ZINC000852092973	GG	On-Demand	Reactive	PSMB1	47	45
CC(C)(CO)[C@H](NCC(=O)Nc1nncs1)c1cccnc1	ZINC000852093002	DD	On-Demand	Anodyne	NR3C1	19	42
C#C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093009	GE	On-Demand	Mild	ESR1	93	38
C#C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093009	GE	On-Demand	Mild	ESR2	63	38
C#C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093009	GE	On-Demand	Mild	LTA4H	54	43
C#C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093009	GE	On-Demand	Mild	HRH3	47	48
C#C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093009	GE	On-Demand	Mild	EPHX2	16	41
C#C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093009	GE	On-Demand	Mild	PSMB2	40	41
C#C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093009	GE	On-Demand	Mild	PSMB1	44	41
C#C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093010	GE	On-Demand	Mild	ESR1	93	38
C#C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093010	GE	On-Demand	Mild	ESR2	63	38
C#C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093010	GE	On-Demand	Mild	LTA4H	54	43
C#C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093010	GE	On-Demand	Mild	HRH3	47	48
C#C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093010	GE	On-Demand	Mild	EPHX2	16	41
C#C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093010	GE	On-Demand	Mild	PSMB2	40	41
C#C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852093010	GE	On-Demand	Mild	PSMB1	44	41
C=CCCNC(=O)NCc1ccc(Br)cc1F	ZINC000852093021	DF	On-Demand	Mild	AKR1B1	20	42
OC[C@@H]1CCCN(CCc2nsc3ccccc23)CC1	ZINC000852093034	CF	On-Demand	Anodyne	HTR1A	19	40
OC[C@@H]1CCCN(CCc2nsc3ccccc23)CC1	ZINC000852093034	CF	On-Demand	Anodyne	DRD2	25	40
OC[C@@H]1CCCN(CCc2nsc3ccccc23)CC1	ZINC000852093034	CF	On-Demand	Anodyne	HTR2A	35	40
OC[C@H]1CCCN(CCc2nsc3ccccc23)CC1	ZINC000852093035	CF	On-Demand	Anodyne	HTR1A	19	40
OC[C@H]1CCCN(CCc2nsc3ccccc23)CC1	ZINC000852093035	CF	On-Demand	Anodyne	DRD2	25	40
OC[C@H]1CCCN(CCc2nsc3ccccc23)CC1	ZINC000852093035	CF	On-Demand	Anodyne	HTR2A	35	40
O=C(CN1CCC[C@@H](CO)CC1)Nc1ccc(Cl)nc1	ZINC000852093043	CD	On-Demand	Anodyne	SLC27A1	40	35
O=C(CN1CCC[C@H](CO)CC1)Nc1ccc(Cl)nc1	ZINC000852093044	CD	On-Demand	Anodyne	SLC27A1	40	35
O=C(CCCc1cccs1)NNC(=O)NCC1SCCS1	ZINC000852093051	EE	On-Demand	Reactive	PTPRF	18	41
CC[C@@H]1CN(C)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852093082	CC	On-Demand	Anodyne	CHRM3	30	42
CC[C@@H]1CN(C)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852093085	CC	On-Demand	Anodyne	CHRM3	30	42
NC(=O)[C@](O)(CN1CCC[C@H](CO)CC1)c1ccccc1	ZINC000852093095	CC	On-Demand	Anodyne	CHRM2	26	42
NC(=O)[C@](O)(CN1CCC[C@H](CO)CC1)c1ccccc1	ZINC000852093095	CC	On-Demand	Anodyne	CHRM1	26	42
NC(=O)[C@](O)(CN1CCC[C@H](CO)CC1)c1ccccc1	ZINC000852093095	CC	On-Demand	Anodyne	CHRM3	46	42
NC(=O)[C@](O)(CN1CCC[C@H](CO)CC1)c1ccccc1	ZINC000852093095	CC	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@](O)(CN1CCC[C@@H](CO)CC1)c1ccccc1	ZINC000852093096	CC	On-Demand	Anodyne	CHRM2	26	42
NC(=O)[C@](O)(CN1CCC[C@@H](CO)CC1)c1ccccc1	ZINC000852093096	CC	On-Demand	Anodyne	CHRM1	26	42
NC(=O)[C@](O)(CN1CCC[C@@H](CO)CC1)c1ccccc1	ZINC000852093096	CC	On-Demand	Anodyne	CHRM3	46	42
NC(=O)[C@](O)(CN1CCC[C@@H](CO)CC1)c1ccccc1	ZINC000852093096	CC	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@@](O)(CN1CCC[C@@H](CO)CC1)c1ccccc1	ZINC000852093097	CC	On-Demand	Anodyne	CHRM2	26	42
NC(=O)[C@@](O)(CN1CCC[C@@H](CO)CC1)c1ccccc1	ZINC000852093097	CC	On-Demand	Anodyne	CHRM1	26	42
NC(=O)[C@@](O)(CN1CCC[C@@H](CO)CC1)c1ccccc1	ZINC000852093097	CC	On-Demand	Anodyne	CHRM3	46	42
NC(=O)[C@@](O)(CN1CCC[C@@H](CO)CC1)c1ccccc1	ZINC000852093097	CC	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@@](O)(CN1CCC[C@H](CO)CC1)c1ccccc1	ZINC000852093098	CC	On-Demand	Anodyne	CHRM2	26	42
NC(=O)[C@@](O)(CN1CCC[C@H](CO)CC1)c1ccccc1	ZINC000852093098	CC	On-Demand	Anodyne	CHRM1	26	42
NC(=O)[C@@](O)(CN1CCC[C@H](CO)CC1)c1ccccc1	ZINC000852093098	CC	On-Demand	Anodyne	CHRM3	46	42
NC(=O)[C@@](O)(CN1CCC[C@H](CO)CC1)c1ccccc1	ZINC000852093098	CC	On-Demand	Anodyne	CYP2J2	47	33
C#CCOCCN1CCc2cc(OC)c(Cl)cc2C1	ZINC000852093174	CE	On-Demand	Mild	ABCB1B	61	39
C#CCOCCN1CCc2cc(OC)c(Cl)cc2C1	ZINC000852093174	CE	On-Demand	Mild	ABCB1	24	48
O=C(CCCc1cccs1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852093180	GF	On-Demand	Reactive	MC4R	16	49
O=C(CCCc1cccs1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852093180	GF	On-Demand	Reactive	SCN10A	15	40
O=C(CCCc1cccs1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852093186	GG	On-Demand	Reactive	PTPRF	18	40
O=C(CCCc1cccs1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852093187	GG	On-Demand	Reactive	PTPRF	18	40
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CCCc1cccs1	ZINC000852093194	FG	On-Demand	Reactive	PTPRF	18	41
O=C(CCCc1cccs1)NNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852093212	FG	On-Demand	Reactive	PTPRF	18	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCCc1cccs1	ZINC000852093218	EF	On-Demand	Reactive	PTPRF	19	42
CNS(=O)(=O)c1ccc(CN2CCC[C@H](CO)CC2)cc1	ZINC000852093299	DD	On-Demand	Anodyne	AVPR1B	40	34
CNS(=O)(=O)c1ccc(CN2CCC[C@H](CO)CC2)cc1	ZINC000852093299	DD	On-Demand	Anodyne	HRH3	22	47
CNS(=O)(=O)c1ccc(CN2CCC[C@H](CO)CC2)cc1	ZINC000852093299	DD	On-Demand	Anodyne	SIGMAR1	33	43
CNS(=O)(=O)c1ccc(CN2CCC[C@@H](CO)CC2)cc1	ZINC000852093300	DD	On-Demand	Anodyne	AVPR1B	40	34
CNS(=O)(=O)c1ccc(CN2CCC[C@@H](CO)CC2)cc1	ZINC000852093300	DD	On-Demand	Anodyne	HRH3	22	47
CNS(=O)(=O)c1ccc(CN2CCC[C@@H](CO)CC2)cc1	ZINC000852093300	DD	On-Demand	Anodyne	SIGMAR1	33	43
O=C(CCCc1cccs1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852093382	DE	On-Demand	Reactive	PTPRF	19	42
O=C(CCCc1cccs1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852093383	DE	On-Demand	Reactive	PTPRF	19	42
O=C(CCCc1cccs1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852093384	DE	On-Demand	Reactive	PTPRF	19	42
O=C(CCCc1cccs1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852093385	DE	On-Demand	Reactive	PTPRF	19	42
O=C(CCCc1cccs1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852093392	CE	On-Demand	Reactive	PTPRF	18	40
O=C(CCCc1cccs1)NNC(=O)N[C@H]1C=CCC1	ZINC000852093393	CE	On-Demand	Reactive	PTPRF	18	40
OC[C@H]1CCCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852093430	CH	On-Demand	Anodyne	SIGMAR1	29	43
OC[C@@H]1CCCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852093431	CH	On-Demand	Anodyne	SIGMAR1	29	43
CCOP(=O)(OCC)[C@H](O)CN1CCc2cc(OC)c(Cl)cc2C1	ZINC000852093476	GG	On-Demand	Anodyne	ABCB1B	58	33
CCOP(=O)(OCC)[C@H](O)CN1CCc2cc(OC)c(Cl)cc2C1	ZINC000852093476	GG	On-Demand	Anodyne	ABCB1	23	41
CCOP(=O)(OCC)[C@@H](O)CN1CCc2cc(OC)c(Cl)cc2C1	ZINC000852093477	GG	On-Demand	Anodyne	ABCB1B	58	33
CCOP(=O)(OCC)[C@@H](O)CN1CCc2cc(OC)c(Cl)cc2C1	ZINC000852093477	GG	On-Demand	Anodyne	ABCB1	23	41
O=C(CCCc1cccs1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852093516	DF	On-Demand	Reactive	PTPRF	18	41
O=C(CCCc1cccs1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852093528	FF	On-Demand	Reactive	ETHR	52	41
COC(=O)[C@@H]1CN(CCc2nsc3ccccc23)C[C@H]1c1ccc(O)cc1	ZINC000852093586	GG	On-Demand	Anodyne	SLC6A3	29	43
COC(=O)[C@@H]1CN(Cc2cccc(SC)c2)C[C@H]1c1ccc(O)cc1	ZINC000852093600	FH	On-Demand	Anodyne	SLC6A4	24	41
COC(=O)[C@@H]1CN(Cc2cccc(SC)c2)C[C@H]1c1ccc(O)cc1	ZINC000852093600	FH	On-Demand	Anodyne	SLC6A3	37	41
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCN(C2CC2)C1	ZINC000852093611	DC	On-Demand	Anodyne	CHRM3	31	40
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CCN(C2CC2)C1	ZINC000852093612	DC	On-Demand	Anodyne	CHRM3	31	40
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCN(C2CC2)C1	ZINC000852093614	DC	On-Demand	Anodyne	CHRM3	31	40
COC(=O)[C@@H]1CN(CCOCc2ccccc2)C[C@H]1c1ccc(O)cc1	ZINC000852093615	FF	On-Demand	Anodyne	SLC6A4	32	47
COC(=O)[C@@H]1CN(CCOCc2ccccc2)C[C@H]1c1ccc(O)cc1	ZINC000852093615	FF	On-Demand	Anodyne	SLC6A3	56	42
COC(=O)[C@@H]1CN(CCC=C(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852093620	DF	On-Demand	Anodyne	SLC6A4	30	44
COC(=O)[C@@H]1CN(CCC=C(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852093620	DF	On-Demand	Anodyne	SLC6A3	50	44
COC(=O)[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C[C@H]1c1ccc(O)cc1	ZINC000852093621	FE	On-Demand	Anodyne	SLC6A3	49	43
COC(=O)[C@@H]1CN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C[C@H]1c1ccc(O)cc1	ZINC000852093622	FE	On-Demand	Anodyne	SLC6A3	49	43
COC(=O)[C@@H]1CN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C[C@H]1c1ccc(O)cc1	ZINC000852093623	FE	On-Demand	Anodyne	SLC6A3	49	43
COC(=O)[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C[C@H]1c1ccc(O)cc1	ZINC000852093624	FE	On-Demand	Anodyne	SLC6A3	49	43
COC(=O)[C@@H]1CN([C@@H]2CCO[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093632	DE	On-Demand	Anodyne	SLC6A2	15	41
COC(=O)[C@@H]1CN([C@@H]2CCO[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093632	DE	On-Demand	Anodyne	SLC6A4	37	41
COC(=O)[C@@H]1CN([C@@H]2CCO[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093632	DE	On-Demand	Anodyne	SLC6A3	67	49
COC(=O)[C@@H]1CN(CCSc2cccc(OC)c2)C[C@H]1c1ccc(O)cc1	ZINC000852093633	GG	On-Demand	Anodyne	DRD4	40	30
COC(=O)[C@@H]1CN(CCSc2cccc(OC)c2)C[C@H]1c1ccc(O)cc1	ZINC000852093633	GG	On-Demand	Anodyne	SLC6A4	24	40
COC(=O)[C@@H]1CN(CCSc2cccc(OC)c2)C[C@H]1c1ccc(O)cc1	ZINC000852093633	GG	On-Demand	Anodyne	SLC6A3	35	40
COC(=O)[C@@H]1CN(CCSc2cccc(OC)c2)C[C@H]1c1ccc(O)cc1	ZINC000852093633	GG	On-Demand	Anodyne	MTNR1A	16	45
COC(=O)[C@@H]1CN(CCSc2cccc(OC)c2)C[C@H]1c1ccc(O)cc1	ZINC000852093633	GG	On-Demand	Anodyne	MTNR1B	18	45
O=C(CCCc1cccs1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852093675	GF	On-Demand	Reactive	CACNA1I	43	34
O=C(NCCc1cccc(OCCCc2ccccc2)c1)NCc1ncccn1	ZINC000852093684	GH	On-Demand	Anodyne	HRH2	46	51
O=C(NCCc1cccc(OCCCc2ccccc2)c1)NCc1ncccn1	ZINC000852093684	GH	On-Demand	Anodyne	MTNR1A	39	44
O=C(NCCc1cccc(OCCCc2ccccc2)c1)NCc1ncccn1	ZINC000852093684	GH	On-Demand	Anodyne	MTNR1B	33	44
O=C(NCCc1cccc(OCCCc2ccccc2)c1)NCc1ncccn1	ZINC000852093684	GH	On-Demand	Anodyne	FAAH	37	43
O=C(NCCc1cccc(OCCCc2ccccc2)c1)NCc1ncccn1	ZINC000852093684	GH	On-Demand	Anodyne	CRTM	72	43
O=C(NCCc1cccc(OCCCc2ccccc2)c1)NCc1ncccn1	ZINC000852093684	GH	On-Demand	Anodyne	PDS	60	40
OC[C@H]1CCCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852093728	CG	On-Demand	Anodyne	SIGMAR1	27	50
OC[C@H]1CCCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852093728	CG	On-Demand	Anodyne	EBP	28	50
OC[C@@H]1CCCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852093730	CG	On-Demand	Anodyne	SIGMAR1	27	50
OC[C@@H]1CCCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852093730	CG	On-Demand	Anodyne	EBP	28	50
OC[C@H]1CCCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852093731	CG	On-Demand	Anodyne	SIGMAR1	27	50
OC[C@H]1CCCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852093731	CG	On-Demand	Anodyne	EBP	28	50
OC[C@@H]1CCCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852093733	CG	On-Demand	Anodyne	SIGMAR1	27	50
OC[C@@H]1CCCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852093733	CG	On-Demand	Anodyne	EBP	28	50
CC[C@@H](CC(F)F)CN1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1	ZINC000852093743	EG	On-Demand	Anodyne	SLC6A4	26	43
CC[C@@H](CC(F)F)CN1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1	ZINC000852093743	EG	On-Demand	Anodyne	SLC6A3	47	43
O=C(CCCc1cccs1)NNC(=O)NC1CCC(C2CCC2)CC1	ZINC000852093752	FH	On-Demand	Reactive	PTPRF	18	40
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccc(O)cc1	ZINC000852093799	DD	On-Demand	Anodyne	SLC6A4	38	43
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccc(O)cc1	ZINC000852093799	DD	On-Demand	Anodyne	SLC6A3	72	48
O=C(CON=Cc1cccs1)Nc1ccc(-c2ccccc2)cc1	ZINC000852093887	EI	On-Demand	Mild	SLC1A1	18	43
O=C(CON=Cc1cccs1)Nc1ccc(-c2ccccc2)cc1	ZINC000852093887	EI	On-Demand	Mild	SLC1A2	25	43
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](CO)CC1	ZINC000852093891	DF	On-Demand	Anodyne	SLC6A3	32	45
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](CO)CC1	ZINC000852093892	DF	On-Demand	Anodyne	SLC6A3	32	45
COc1cccc(SCCN2CCC[C@H](CO)CC2)c1	ZINC000852093894	CF	On-Demand	Anodyne	DRD4	44	33
COc1cccc(SCCN2CCC[C@H](CO)CC2)c1	ZINC000852093894	CF	On-Demand	Anodyne	SIGMAR1	21	41
COc1cccc(SCCN2CCC[C@H](CO)CC2)c1	ZINC000852093894	CF	On-Demand	Anodyne	CCR3	15	42
COc1cccc(SCCN2CCC[C@H](CO)CC2)c1	ZINC000852093894	CF	On-Demand	Anodyne	EBP	50	36
COc1cccc(SCCN2CCC[C@H](CO)CC2)c1	ZINC000852093894	CF	On-Demand	Anodyne	CHRNA10	31	41
COc1cccc(SCCN2CCC[C@@H](CO)CC2)c1	ZINC000852093895	CF	On-Demand	Anodyne	DRD4	44	33
COc1cccc(SCCN2CCC[C@@H](CO)CC2)c1	ZINC000852093895	CF	On-Demand	Anodyne	SIGMAR1	21	41
COc1cccc(SCCN2CCC[C@@H](CO)CC2)c1	ZINC000852093895	CF	On-Demand	Anodyne	CCR3	15	42
COc1cccc(SCCN2CCC[C@@H](CO)CC2)c1	ZINC000852093895	CF	On-Demand	Anodyne	EBP	50	36
COc1cccc(SCCN2CCC[C@@H](CO)CC2)c1	ZINC000852093895	CF	On-Demand	Anodyne	CHRNA10	31	41
O=C(NCc1ncccn1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852093937	GC	On-Demand	Anodyne	CACNA1I	42	34
COC(=O)[C@@H]1CN(CCN2C[C@H](C)O[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093939	FD	On-Demand	Anodyne	SLC6A4	29	45
COC(=O)[C@@H]1CN(CCN2C[C@H](C)O[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093939	FD	On-Demand	Anodyne	SLC6A3	49	45
COC(=O)[C@@H]1CN(CCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093941	FD	On-Demand	Anodyne	SLC6A4	29	45
COC(=O)[C@@H]1CN(CCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093941	FD	On-Demand	Anodyne	SLC6A3	49	45
COC(=O)[C@@H]1CN(CCN2C[C@@H](C)O[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093942	FD	On-Demand	Anodyne	SLC6A4	29	45
COC(=O)[C@@H]1CN(CCN2C[C@@H](C)O[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852093942	FD	On-Demand	Anodyne	SLC6A3	49	45
OC[C@@H]1CCCN(Cc2nsc3ccccc23)CC1	ZINC000852093954	CF	On-Demand	Anodyne	DRD2	18	40
OC[C@H]1CCCN(Cc2nsc3ccccc23)CC1	ZINC000852093956	CF	On-Demand	Anodyne	DRD2	18	40
COC(=O)[C@@H]1CN(C[C@@H](OC)[C@@H]2CCOC2)C[C@H]1c1ccc(O)cc1	ZINC000852094005	ED	On-Demand	Anodyne	SLC6A3	37	41
COC(=O)[C@@H]1CN(C[C@@H](OC)[C@H]2CCOC2)C[C@H]1c1ccc(O)cc1	ZINC000852094007	ED	On-Demand	Anodyne	SLC6A3	37	41
COC(=O)[C@@H]1CN(C[C@H](OC)[C@H]2CCOC2)C[C@H]1c1ccc(O)cc1	ZINC000852094009	ED	On-Demand	Anodyne	SLC6A3	37	41
COC(=O)[C@@H]1CN(C[C@H](OC)[C@@H]2CCOC2)C[C@H]1c1ccc(O)cc1	ZINC000852094011	ED	On-Demand	Anodyne	SLC6A3	37	41
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccc(O)cc1	ZINC000852094013	GC	On-Demand	Anodyne	SLC6A4	22	46
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccc(O)cc1	ZINC000852094013	GC	On-Demand	Anodyne	SLC6A3	39	46
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccc(O)cc1	ZINC000852094015	GC	On-Demand	Anodyne	SLC6A4	22	46
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccc(O)cc1	ZINC000852094015	GC	On-Demand	Anodyne	SLC6A3	39	46
CN(CCNC(=O)NNc1ccc(Cl)cn1)CC(F)(F)F	ZINC000852094049	ED	On-Demand	Reactive	F10	29	41
COC(=O)[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@H]1c1ccc(O)cc1	ZINC000852094050	ED	On-Demand	Anodyne	SLC6A4	24	41
COC(=O)[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@H]1c1ccc(O)cc1	ZINC000852094050	ED	On-Demand	Anodyne	SLC6A3	44	41
COC(=O)[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@H]1c1ccc(O)cc1	ZINC000852094051	ED	On-Demand	Anodyne	SLC6A4	24	41
COC(=O)[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@H]1c1ccc(O)cc1	ZINC000852094051	ED	On-Demand	Anodyne	SLC6A3	44	41
COC(=O)[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1c1ccc(O)cc1	ZINC000852094072	EC	On-Demand	Anodyne	SLC6A3	37	41
C=CC[C@H]1CCCN(C(=O)NNC(=O)CCCc2cccs2)C1	ZINC000852094076	EG	On-Demand	Reactive	PTPRF	18	41
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CCCc2cccs2)C1	ZINC000852094077	EG	On-Demand	Reactive	PTPRF	18	41
O=C(CCCc1cccs1)NNC(=O)N[C@H]1CCCC12CCCCC2	ZINC000852094094	FH	On-Demand	Reactive	PTPRF	18	40
O=C(CCCc1cccs1)NNC(=O)N[C@@H]1CCCC12CCCCC2	ZINC000852094095	FH	On-Demand	Reactive	PTPRF	18	40
O=C(CCCc1cccs1)NNC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1	ZINC000852094117	GF	On-Demand	Reactive	PTPRF	18	40
O=C(CCCc1cccs1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852094120	ED	On-Demand	Reactive	PTPRF	18	41
O=C(CCCc1cccs1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852094121	ED	On-Demand	Reactive	PTPRF	18	41
O=C(CCCc1cccs1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852094122	ED	On-Demand	Reactive	PTPRF	18	41
O=C(CCCc1cccs1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852094123	ED	On-Demand	Reactive	PTPRF	18	41
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CCCc1cccs1	ZINC000852094125	EG	On-Demand	Reactive	PTPRF	19	42
O=C(CCCc1cccs1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852094126	GF	On-Demand	Reactive	SIGMAR1	17	47
O=C(CCCc1cccs1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852094127	GF	On-Demand	Reactive	SIGMAR1	17	47
COC(=O)c1ccc2nc(CN3CCC[C@@H](CO)CC3)[nH]c2c1	ZINC000852094136	DD	On-Demand	Anodyne	DRD4	18	43
COC(=O)c1ccc2nc(CN3CCC[C@@H](CO)CC3)[nH]c2c1	ZINC000852094136	DD	On-Demand	Anodyne	GRIN2B	23	49
COC(=O)c1ccc2nc(CN3CCC[C@@H](CO)CC3)[nH]c2c1	ZINC000852094136	DD	On-Demand	Anodyne	CCR3	27	40
COC(=O)c1ccc2nc(CN3CCC[C@H](CO)CC3)[nH]c2c1	ZINC000852094137	DD	On-Demand	Anodyne	DRD4	18	43
COC(=O)c1ccc2nc(CN3CCC[C@H](CO)CC3)[nH]c2c1	ZINC000852094137	DD	On-Demand	Anodyne	GRIN2B	23	49
COC(=O)c1ccc2nc(CN3CCC[C@H](CO)CC3)[nH]c2c1	ZINC000852094137	DD	On-Demand	Anodyne	CCR3	27	40
O=C(CCCc1cccs1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852094146	EG	On-Demand	Reactive	PTPRF	19	42
N#Cc1ccc(CCN2CCC[C@H](CO)CC2)cc1	ZINC000852094159	CE	On-Demand	Mild	HRH3	32	50
N#Cc1ccc(CCN2CCC[C@H](CO)CC2)cc1	ZINC000852094159	CE	On-Demand	Mild	SIGMAR1	24	44
N#Cc1ccc(CCN2CCC[C@H](CO)CC2)cc1	ZINC000852094159	CE	On-Demand	Mild	CCR3	17	41
N#Cc1ccc(CCN2CCC[C@H](CO)CC2)cc1	ZINC000852094159	CE	On-Demand	Mild	KCNJ1	53	62
N#Cc1ccc(CCN2CCC[C@@H](CO)CC2)cc1	ZINC000852094160	CE	On-Demand	Mild	HRH3	32	50
N#Cc1ccc(CCN2CCC[C@@H](CO)CC2)cc1	ZINC000852094160	CE	On-Demand	Mild	SIGMAR1	24	44
N#Cc1ccc(CCN2CCC[C@@H](CO)CC2)cc1	ZINC000852094160	CE	On-Demand	Mild	CCR3	17	41
N#Cc1ccc(CCN2CCC[C@@H](CO)CC2)cc1	ZINC000852094160	CE	On-Demand	Mild	KCNJ1	53	62
N#C[C@H](c1ccccc1)N1CCC[C@H](CO)CC1	ZINC000852094171	BE	On-Demand	Mild	PTAFR	33	44
N#C[C@@H](c1ccccc1)N1CCC[C@@H](CO)CC1	ZINC000852094172	BE	On-Demand	Mild	PTAFR	33	44
N#C[C@H](c1ccccc1)N1CCC[C@@H](CO)CC1	ZINC000852094173	BE	On-Demand	Mild	PTAFR	33	44
COC(=O)[C@@H]1CN(CCN2C[C@@H](C)C[C@@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094204	FF	On-Demand	Anodyne	SLC6A4	40	45
COC(=O)[C@@H]1CN(CCN2C[C@@H](C)C[C@@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094204	FF	On-Demand	Anodyne	SLC6A3	67	48
COC(=O)[C@@H]1CN(CCN2C[C@@H](C)C[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094205	FF	On-Demand	Anodyne	SLC6A4	40	45
COC(=O)[C@@H]1CN(CCN2C[C@@H](C)C[C@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094205	FF	On-Demand	Anodyne	SLC6A3	67	48
COC(=O)[C@@H]1CN(CCN2C[C@H](C)C[C@@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094206	FF	On-Demand	Anodyne	SLC6A4	40	45
COC(=O)[C@@H]1CN(CCN2C[C@H](C)C[C@@H](C)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094206	FF	On-Demand	Anodyne	SLC6A3	67	48
O=C1OCCN1C[C@@H]1CCN([C@@H]2CCC[C@H]2O)C1	ZINC000852094252	CC	On-Demand	Anodyne	SLC18A3	23	42
O=C1OCCN1C[C@H]1CCN([C@@H]2CCC[C@H]2O)C1	ZINC000852094253	CC	On-Demand	Anodyne	SLC18A3	23	42
N#C[C@@H](c1ccccc1)N1CCC[C@H](CO)CC1	ZINC000852094274	BE	On-Demand	Mild	PTAFR	33	44
CO[C@@H]1CC[C@@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000852094294	ED	On-Demand	Bother	GLRA1	42	31
CO[C@@H]1CC[C@@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000852094294	ED	On-Demand	Bother	L3MBTL3	55	45
CC(C)c1cccc(CN2CCC[C@H](CO)CC2)c1	ZINC000852094298	CG	On-Demand	Anodyne	DRD2	18	45
CC(C)c1cccc(CN2CCC[C@H](CO)CC2)c1	ZINC000852094298	CG	On-Demand	Anodyne	ACHE	43	39
CC(C)c1cccc(CN2CCC[C@H](CO)CC2)c1	ZINC000852094298	CG	On-Demand	Anodyne	SLC6A3	25	48
CC(C)c1cccc(CN2CCC[C@H](CO)CC2)c1	ZINC000852094298	CG	On-Demand	Anodyne	HRH3	15	45
CC(C)c1cccc(CN2CCC[C@H](CO)CC2)c1	ZINC000852094298	CG	On-Demand	Anodyne	SIGMAR1	41	43
CC(C)c1cccc(CN2CCC[C@@H](CO)CC2)c1	ZINC000852094299	CG	On-Demand	Anodyne	DRD2	18	45
CC(C)c1cccc(CN2CCC[C@@H](CO)CC2)c1	ZINC000852094299	CG	On-Demand	Anodyne	ACHE	43	39
CC(C)c1cccc(CN2CCC[C@@H](CO)CC2)c1	ZINC000852094299	CG	On-Demand	Anodyne	SLC6A3	25	48
CC(C)c1cccc(CN2CCC[C@@H](CO)CC2)c1	ZINC000852094299	CG	On-Demand	Anodyne	HRH3	15	45
CC(C)c1cccc(CN2CCC[C@@H](CO)CC2)c1	ZINC000852094299	CG	On-Demand	Anodyne	SIGMAR1	41	43
O=C(CCCc1cccs1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852094309	FD	On-Demand	Reactive	PTPRF	18	40
O=C(CCCc1cccs1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852094310	FD	On-Demand	Reactive	PTPRF	18	40
O=C(CCCc1cccs1)NNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852094311	FD	On-Demand	Reactive	PTPRF	18	40
O=C(CCCc1cccs1)NNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852094312	FD	On-Demand	Reactive	PTPRF	18	40
CC(C)(CO)[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852094314	DC	On-Demand	Anodyne	AMY2	46	32
CC(C)(CO)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852094315	DC	On-Demand	Anodyne	AMY2	46	32
C[C@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nccn1C	ZINC000852094354	GD	On-Demand	Anodyne	CACNA1I	45	34
C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nccn1C	ZINC000852094356	GD	On-Demand	Anodyne	CACNA1I	45	34
COC(=O)[C@@H]1CN(CC2(O)CCSCC2)C[C@H]1c1ccc(O)cc1	ZINC000852094358	FD	On-Demand	Anodyne	SLC6A3	37	42
O=C(CCCc1cccs1)NNC(=O)NCCC1SCCS1	ZINC000852094365	FF	On-Demand	Reactive	PTPRF	18	40
COC(=O)[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1c1ccc(O)cc1	ZINC000852094370	EF	On-Demand	Anodyne	SLC6A2	15	42
COC(=O)[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1c1ccc(O)cc1	ZINC000852094370	EF	On-Demand	Anodyne	SLC6A4	38	44
COC(=O)[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1c1ccc(O)cc1	ZINC000852094370	EF	On-Demand	Anodyne	SLC6A3	62	45
COC(=O)[C@@H]1CN(CCN2C(=O)CN(C)C2=O)C[C@H]1c1ccc(O)cc1	ZINC000852094386	FC	On-Demand	Anodyne	SLC6A3	39	42
COC(=O)[C@@H]1CN([C@H](C)C(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852094405	CF	On-Demand	Anodyne	SLC6A4	33	45
COC(=O)[C@@H]1CN([C@H](C)C(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852094405	CF	On-Demand	Anodyne	SLC6A3	58	49
COC(=O)[C@@H]1CN([C@@H](C)C(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852094406	CF	On-Demand	Anodyne	SLC6A4	33	45
COC(=O)[C@@H]1CN([C@@H](C)C(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852094406	CF	On-Demand	Anodyne	SLC6A3	58	49
NC(=O)CC1(CNC(=O)NNC(=O)CCCc2cccs2)CCCCC1	ZINC000852094480	GE	On-Demand	Reactive	PTPRF	18	40
COc1cc(CN2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)sn1	ZINC000852094509	GH	On-Demand	Anodyne	GPR119	28	40
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCc1ncccn1	ZINC000852094551	EF	On-Demand	Anodyne	TRPV1	23	40
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	CHRM2	29	46
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	CHRM1	19	43
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	DRD2	25	40
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	DRD4	48	43
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	ACHE	49	45
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	HRH2	23	40
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	HRH1	23	43
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	OPRK1	15	50
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	CHRM3	46	46
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	SIGMAR1	54	45
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	CCR3	49	43
CN(C)C(=O)OC1CCN(Cc2cccc(N)c2)CC1	ZINC000852094560	CD	On-Demand	Anodyne	CCR8	24	42
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2CC(=O)Nc2cnccn2)C1	ZINC000852094574	GF	On-Demand	Anodyne	GPR119	34	51
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2CC(=O)Nc2cnccn2)C1	ZINC000852094575	GF	On-Demand	Anodyne	GPR119	34	51
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2CC(=O)Nc2cnccn2)C1	ZINC000852094576	GF	On-Demand	Anodyne	GPR119	34	51
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2CC(=O)Nc2cnccn2)C1	ZINC000852094577	GF	On-Demand	Anodyne	GPR119	34	51
C#CCOCCN1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852094580	CE	On-Demand	Mild	EBP	18	43
C#CCOCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852094581	CE	On-Demand	Mild	EBP	18	43
CN(C)C(=O)OC1CCN(Cc2cc(F)ccc2OC(F)F)CC1	ZINC000852094586	EG	On-Demand	Anodyne	CCR3	30	40
Fc1cccc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)n1	ZINC000852094588	DH	On-Demand	Anodyne	SCN5A	53	34
Fc1cccc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)n1	ZINC000852094589	DH	On-Demand	Anodyne	SCN5A	53	34
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852094594	GG	On-Demand	Anodyne	CCR3	34	41
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852094594	GG	On-Demand	Anodyne	EBP	18	40
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852094598	GG	On-Demand	Anodyne	CCR3	34	41
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852094598	GG	On-Demand	Anodyne	EBP	18	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852094600	GG	On-Demand	Anodyne	CCR3	34	41
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852094600	GG	On-Demand	Anodyne	EBP	18	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852094604	GG	On-Demand	Anodyne	CCR3	34	41
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852094604	GG	On-Demand	Anodyne	EBP	18	40
COC(=O)[C@@H]1CN(C[C@H]2CNC(=O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094628	DC	On-Demand	Anodyne	SLC6A3	33	40
COC(=O)[C@@H]1CN(C[C@@H]2CNC(=O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094629	DC	On-Demand	Anodyne	SLC6A3	33	40
COC(=O)[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@H]1c1ccc(O)cc1	ZINC000852094636	FD	On-Demand	Anodyne	SLC6A3	32	41
N#Cc1ccc(CCN2CC[C@H](CN3CCOC3=O)C2)cc1	ZINC000852094646	CD	On-Demand	Mild	KCNJ1	49	43
N#Cc1ccc(CCN2CC[C@@H](CN3CCOC3=O)C2)cc1	ZINC000852094647	CD	On-Demand	Mild	KCNJ1	49	43
COC(=O)[C@@H]1CN(CCc2cnn[nH]2)C[C@H]1c1ccc(O)cc1	ZINC000852094656	DC	On-Demand	Anodyne	SLC6A3	35	41
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1c1ccc(O)cc1	ZINC000852094670	DD	On-Demand	Anodyne	SLC6A4	28	41
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1c1ccc(O)cc1	ZINC000852094670	DD	On-Demand	Anodyne	SLC6A3	49	43
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1c1ccc(O)cc1	ZINC000852094671	DD	On-Demand	Anodyne	SLC6A4	28	41
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1c1ccc(O)cc1	ZINC000852094671	DD	On-Demand	Anodyne	SLC6A3	49	43
COC(=O)[C@@H]1CN(Cc2cccc(OC)c2Cl)C[C@H]1c1ccc(O)cc1	ZINC000852094676	GG	On-Demand	Anodyne	TSHR	43	34
COC(=O)[C@@H]1CN(Cc2cccc(OC)c2Cl)C[C@H]1c1ccc(O)cc1	ZINC000852094676	GG	On-Demand	Anodyne	SLC6A4	19	41
COC(=O)[C@@H]1CN(Cc2cccc(OC)c2Cl)C[C@H]1c1ccc(O)cc1	ZINC000852094676	GG	On-Demand	Anodyne	SLC6A3	33	43
COCCN(CCF)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1	ZINC000852094713	FE	On-Demand	Anodyne	CACNA1I	45	36
O=C1OCCN1C[C@H]1CCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852094726	CD	On-Demand	Anodyne	SLC18A3	30	45
COC(=O)[C@@H]1CN(CCC2CCC2)C[C@H]1c1ccc(O)cc1	ZINC000852094728	DF	On-Demand	Anodyne	SLC6A4	40	49
COC(=O)[C@@H]1CN(CCC2CCC2)C[C@H]1c1ccc(O)cc1	ZINC000852094728	DF	On-Demand	Anodyne	SLC6A3	66	48
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2Cc2cnc3ccccc3n2)C1	ZINC000852094731	GI	On-Demand	Anodyne	GPR119	42	45
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2Cc2cnc3ccccc3n2)C1	ZINC000852094734	GI	On-Demand	Anodyne	GPR119	42	45
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2Cc2cnc3ccccc3n2)C1	ZINC000852094736	GI	On-Demand	Anodyne	GPR119	42	45
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2Cc2cnc3ccccc3n2)C1	ZINC000852094739	GI	On-Demand	Anodyne	GPR119	42	45
Cc1nc(CN2CCC(CNC(=O)NNc3ccc(Cl)cn3)CC2)oc1C	ZINC000852094743	GF	On-Demand	Reactive	HTR4	55	36
Cc1nc(CN2CCC(CNC(=O)NNc3ccc(Cl)cn3)CC2)oc1C	ZINC000852094743	GF	On-Demand	Reactive	CACNA1I	75	42
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)N1C	ZINC000852094768	CC	On-Demand	Anodyne	CHRM2	23	41
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)N1C	ZINC000852094768	CC	On-Demand	Anodyne	CHRM3	37	43
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)N1C	ZINC000852094768	CC	On-Demand	Anodyne	AMY2	44	30
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)N1C	ZINC000852094768	CC	On-Demand	Anodyne	CYP2J2	47	34
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C[C@@H](O)c2ccccn2)C1	ZINC000852094839	GG	On-Demand	Anodyne	GPR119	43	52
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2C[C@H](O)c2ccccn2)C1	ZINC000852094841	GG	On-Demand	Anodyne	GPR119	43	52
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C[C@H](O)c2ccccn2)C1	ZINC000852094843	GG	On-Demand	Anodyne	GPR119	43	52
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2C[C@@H](O)c2ccccn2)C1	ZINC000852094846	GG	On-Demand	Anodyne	GPR119	43	52
C#CCOCCN1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1	ZINC000852094847	DD	On-Demand	Mild	SLC6A3	39	42
C[C@@]1(CNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1(F)F	ZINC000852094859	GD	On-Demand	Anodyne	CACNA1I	52	37
COC(=O)[C@@H]1CN(CCCC(=O)NCC(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852094861	FE	On-Demand	Anodyne	SLC6A4	25	40
COC(=O)[C@@H]1CN(CCCC(=O)NCC(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852094861	FE	On-Demand	Anodyne	SLC6A3	43	42
COC(=O)[C@@H]1CN(C[C@H](OC)C2CCC2)C[C@H]1c1ccc(O)cc1	ZINC000852094900	EE	On-Demand	Anodyne	SLC6A4	30	42
COC(=O)[C@@H]1CN(C[C@H](OC)C2CCC2)C[C@H]1c1ccc(O)cc1	ZINC000852094900	EE	On-Demand	Anodyne	SLC6A3	55	44
COC(=O)[C@@H]1CN(C[C@@H](OC)C2CCC2)C[C@H]1c1ccc(O)cc1	ZINC000852094901	EE	On-Demand	Anodyne	SLC6A4	30	42
COC(=O)[C@@H]1CN(C[C@@H](OC)C2CCC2)C[C@H]1c1ccc(O)cc1	ZINC000852094901	EE	On-Demand	Anodyne	SLC6A3	55	44
COC(=O)[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(O)cc1	ZINC000852094915	EE	On-Demand	Anodyne	SLC6A4	20	43
COC(=O)[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(O)cc1	ZINC000852094915	EE	On-Demand	Anodyne	SLC6A3	34	43
COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(O)cc1	ZINC000852094916	EE	On-Demand	Anodyne	SLC6A4	20	43
COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(O)cc1	ZINC000852094916	EE	On-Demand	Anodyne	SLC6A3	34	43
COC(=O)[C@@H]1CN(C[C@H]2CCC[C@@H](O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094933	EE	On-Demand	Anodyne	SLC6A4	35	43
COC(=O)[C@@H]1CN(C[C@H]2CCC[C@@H](O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094933	EE	On-Demand	Anodyne	SLC6A3	60	46
COC(=O)[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094934	EE	On-Demand	Anodyne	SLC6A4	35	43
COC(=O)[C@@H]1CN(C[C@@H]2CCC[C@@H](O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094934	EE	On-Demand	Anodyne	SLC6A3	60	46
COC(=O)[C@@H]1CN(C[C@H]2CCC[C@H](O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094935	EE	On-Demand	Anodyne	SLC6A4	35	43
COC(=O)[C@@H]1CN(C[C@H]2CCC[C@H](O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094935	EE	On-Demand	Anodyne	SLC6A3	60	46
COC(=O)[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094936	EE	On-Demand	Anodyne	SLC6A4	35	43
COC(=O)[C@@H]1CN(C[C@@H]2CCC[C@H](O)C2)C[C@H]1c1ccc(O)cc1	ZINC000852094936	EE	On-Demand	Anodyne	SLC6A3	60	46
COC(=O)[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H]1c1ccc(O)cc1	ZINC000852094943	FF	On-Demand	Mild	SLC6A3	36	45
COC(=O)[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H]1c1ccc(O)cc1	ZINC000852094943	FF	On-Demand	Mild	KCNJ1	17	43
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	HTR2A	15	46
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	KCNH2	15	56
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	CHRM3	15	42
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	HRH3	24	48
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	SIGMAR1	31	43
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	CCR3	23	41
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	CCR5	21	49
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	MLNR	15	41
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	CYP2J2	45	34
CN(C)C(=O)OC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852095019	DE	On-Demand	Mild	KCNJ1	53	56
COC(=O)[C@@H]1CN(CCC(OC)OC)C[C@H]1c1ccc(O)cc1	ZINC000852095022	DD	On-Demand	Anodyne	SLC6A4	35	45
COC(=O)[C@@H]1CN(CCC(OC)OC)C[C@H]1c1ccc(O)cc1	ZINC000852095022	DD	On-Demand	Anodyne	SLC6A3	63	48
O=C(CON=Cc1cccs1)N[C@H]1CCCc2ccccc21	ZINC000852095040	DG	On-Demand	Mild	BDKRB1	49	40
O=C(CON=Cc1cccs1)N[C@H]1CCCc2ccccc21	ZINC000852095040	DG	On-Demand	Mild	BIRC2	40	36
O=C(CON=Cc1cccs1)N[C@@H]1CCCc2ccccc21	ZINC000852095042	DG	On-Demand	Mild	BDKRB1	49	40
O=C(CON=Cc1cccs1)N[C@@H]1CCCc2ccccc21	ZINC000852095042	DG	On-Demand	Mild	BIRC2	40	36
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095061	FE	On-Demand	Anodyne	CHRM2	21	56
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095061	FE	On-Demand	Anodyne	CHRM3	38	56
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095061	FE	On-Demand	Anodyne	CCR3	30	40
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095061	FE	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095062	FE	On-Demand	Anodyne	CHRM2	21	56
NC(=O)[C@@](O)(CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095062	FE	On-Demand	Anodyne	CHRM3	38	56
NC(=O)[C@@](O)(CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095062	FE	On-Demand	Anodyne	CCR3	30	40
NC(=O)[C@@](O)(CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095062	FE	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095063	FE	On-Demand	Anodyne	CHRM2	21	56
NC(=O)[C@](O)(CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095063	FE	On-Demand	Anodyne	CHRM3	38	56
NC(=O)[C@](O)(CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095063	FE	On-Demand	Anodyne	CCR3	30	40
NC(=O)[C@](O)(CN1CC[C@@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095063	FE	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095064	FE	On-Demand	Anodyne	CHRM2	21	56
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095064	FE	On-Demand	Anodyne	CHRM3	38	56
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095064	FE	On-Demand	Anodyne	CCR3	30	40
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852095064	FE	On-Demand	Anodyne	CYP2J2	44	31
COc1cccc(SCCN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095092	EF	On-Demand	Anodyne	HTR1A	17	40
COc1cccc(SCCN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095092	EF	On-Demand	Anodyne	DRD4	44	34
COc1cccc(SCCN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095092	EF	On-Demand	Anodyne	HRH1	21	44
COc1cccc(SCCN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095092	EF	On-Demand	Anodyne	SIGMAR1	20	40
COc1cccc(SCCN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095092	EF	On-Demand	Anodyne	CCR3	31	44
COc1cccc(SCCN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095092	EF	On-Demand	Anodyne	CCR5	29	48
COc1cccc(SCCN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095092	EF	On-Demand	Anodyne	MTNR1A	15	46
COc1cccc(SCCN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095092	EF	On-Demand	Anodyne	MTNR1B	18	46
CCC(C)(C)[C@@H](C)NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852095098	GF	On-Demand	Anodyne	CACNA1I	42	34
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2Cc2cnon2)C1	ZINC000852095113	EF	On-Demand	Anodyne	GPR119	33	42
COC(=O)[C@@H]1CN(CC2CC=CC2)C[C@H]1c1ccc(O)cc1	ZINC000852095114	DF	On-Demand	Anodyne	SLC6A4	27	45
COC(=O)[C@@H]1CN(CC2CC=CC2)C[C@H]1c1ccc(O)cc1	ZINC000852095114	DF	On-Demand	Anodyne	SLC6A3	45	44
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2Cc2cnon2)C1	ZINC000852095115	EF	On-Demand	Anodyne	GPR119	33	42
COC(=O)[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@H]1c1ccc(O)cc1	ZINC000852095116	EE	On-Demand	Anodyne	SLC6A3	39	41
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2Cc2cnon2)C1	ZINC000852095117	EF	On-Demand	Anodyne	GPR119	33	42
COC(=O)[C@@H]1CN(CCO[C@H]2CC2(F)F)C[C@H]1c1ccc(O)cc1	ZINC000852095118	EE	On-Demand	Anodyne	SLC6A3	39	41
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2Cc2cnon2)C1	ZINC000852095119	EF	On-Demand	Anodyne	GPR119	33	42
COC(=O)[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@@H]3C2)C[C@H]1c1ccc(O)cc1	ZINC000852095142	EG	On-Demand	Anodyne	SLC6A4	33	44
COC(=O)[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@@H]3C2)C[C@H]1c1ccc(O)cc1	ZINC000852095142	EG	On-Demand	Anodyne	SLC6A3	54	44
COC(=O)[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1c1ccc(O)cc1	ZINC000852095144	EG	On-Demand	Anodyne	SLC6A4	33	44
COC(=O)[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1c1ccc(O)cc1	ZINC000852095144	EG	On-Demand	Anodyne	SLC6A3	54	44
COC(=O)[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@H]3C2)C[C@H]1c1ccc(O)cc1	ZINC000852095146	EG	On-Demand	Anodyne	SLC6A4	33	44
COC(=O)[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@H]3C2)C[C@H]1c1ccc(O)cc1	ZINC000852095146	EG	On-Demand	Anodyne	SLC6A3	54	44
COC(=O)[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1c1ccc(O)cc1	ZINC000852095148	EG	On-Demand	Anodyne	SLC6A4	33	44
COC(=O)[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1c1ccc(O)cc1	ZINC000852095148	EG	On-Demand	Anodyne	SLC6A3	54	44
COC(=O)N(C)CCNC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1	ZINC000852095158	GD	On-Demand	Anodyne	CACNA1I	45	34
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	CHRM2	22	40
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	HTR1A	28	42
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	CHRM1	27	40
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	DRD2	28	43
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	ACHE	26	42
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	HTR2A	19	41
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	SLC6A1	57	38
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	SLC6A4	15	40
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	SLC6A3	32	40
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	CHRM3	44	43
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	LTA4H	43	45
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	UGCG	48	42
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	HRH3	23	45
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	SIGMAR1	65	44
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	CCR5	47	41
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	GBA	25	42
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	GBA2	63	42
CN(C)C(=O)OC1CCN(CCOCc2ccccc2)CC1	ZINC000852095159	DE	On-Demand	Anodyne	CYP2J2	48	34
O=C(CON=Cc1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	ZINC000852095166	HJ	On-Demand	Mild	GRIN2D	69	32
O=C(CON=Cc1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	ZINC000852095167	HJ	On-Demand	Mild	GRIN2D	69	32
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC(OC(=O)N(C)C)CC1	ZINC000852095181	FF	On-Demand	Anodyne	SLC6A3	23	43
CN(C)C(=O)OC1CCN(Cc2cccc(F)n2)CC1	ZINC000852095182	CD	On-Demand	Anodyne	CCR3	17	40
CN(C)C(=O)OC1CCN(Cc2cccc(F)n2)CC1	ZINC000852095182	CD	On-Demand	Anodyne	SCN5A	52	36
C#C[C@H](NC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)C1CCOCC1	ZINC000852095224	GE	On-Demand	Mild	CACNA1I	40	32
C#C[C@@H](NC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)C1CCOCC1	ZINC000852095226	GE	On-Demand	Mild	CACNA1I	40	32
CC(C)[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCCO1	ZINC000852095256	DD	On-Demand	Anodyne	CYP2J2	46	33
CC(C)[C@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CCCO1	ZINC000852095258	DD	On-Demand	Anodyne	CYP2J2	46	33
COC(=O)[C@@H]1CN([C@H]2CS(=O)(=O)C[C@H]2OC)C[C@H]1c1ccc(O)cc1	ZINC000852095259	FC	On-Demand	Anodyne	SLC6A3	44	45
COC(=O)[C@@H]1CN(Cc2cccc(N)c2)C[C@H]1c1ccc(O)cc1	ZINC000852095269	EE	On-Demand	Anodyne	SLC6A3	45	42
COC(=O)c1ccc2nc(CN3CC[C@@H](CN4CCOC4=O)C3)[nH]c2c1	ZINC000852095276	FD	On-Demand	Anodyne	GRIN2B	18	42
COC(=O)c1ccc2nc(CN3CC[C@@H](CN4CCOC4=O)C3)[nH]c2c1	ZINC000852095276	FD	On-Demand	Anodyne	WNT3A	44	32
COC(=O)c1ccc2nc(CN3CC[C@H](CN4CCOC4=O)C3)[nH]c2c1	ZINC000852095277	FD	On-Demand	Anodyne	GRIN2B	18	42
COC(=O)c1ccc2nc(CN3CC[C@H](CN4CCOC4=O)C3)[nH]c2c1	ZINC000852095277	FD	On-Demand	Anodyne	WNT3A	44	32
CC(C)c1cccc(CN2CC[C@H](CN3CCOC3=O)C2)c1	ZINC000852095278	DG	On-Demand	Anodyne	SLC6A3	21	42
CC(C)c1cccc(CN2CC[C@@H](CN3CCOC3=O)C2)c1	ZINC000852095279	DG	On-Demand	Anodyne	SLC6A3	21	42
COC(=O)[C@@H]1CN(CCn2cnc(Br)n2)C[C@H]1c1ccc(O)cc1	ZINC000852095288	GD	On-Demand	Anodyne	SLC6A3	34	40
NC(=O)[C@@](O)(CN1CC[C@@H](CN2CCOC2=O)C1)c1ccccc1	ZINC000852095300	EC	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@](O)(CN1CC[C@@H](CN2CCOC2=O)C1)c1ccccc1	ZINC000852095301	EC	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@](O)(CN1CC[C@H](CN2CCOC2=O)C1)c1ccccc1	ZINC000852095302	EC	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@@](O)(CN1CC[C@H](CN2CCOC2=O)C1)c1ccccc1	ZINC000852095303	EC	On-Demand	Anodyne	CYP2J2	45	31
O=C1OCCN1C[C@H]1CCN(CCOCc2ccccc2)C1	ZINC000852095346	DD	On-Demand	Anodyne	SIGMAR1	22	43
O=C1OCCN1C[C@@H]1CCN(CCOCc2ccccc2)C1	ZINC000852095349	DD	On-Demand	Anodyne	SIGMAR1	22	43
CNS(=O)(=O)c1ccc(CN2CCC(OC(=O)N(C)C)CC2)cc1	ZINC000852095355	FD	On-Demand	Anodyne	ACHE	23	41
CNS(=O)(=O)c1ccc(CN2CCC(OC(=O)N(C)C)CC2)cc1	ZINC000852095355	FD	On-Demand	Anodyne	LTA4H	25	40
CNS(=O)(=O)c1ccc(CN2CCC(OC(=O)N(C)C)CC2)cc1	ZINC000852095355	FD	On-Demand	Anodyne	SIGMAR1	37	41
CNS(=O)(=O)c1ccc(CN2CCC(OC(=O)N(C)C)CC2)cc1	ZINC000852095355	FD	On-Demand	Anodyne	SSTR5	43	36
CNS(=O)(=O)c1ccc(CN2CCC(OC(=O)N(C)C)CC2)cc1	ZINC000852095355	FD	On-Demand	Anodyne	CCR3	23	40
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	DRD2	24	48
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	DRD4	40	40
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	ACHE	44	42
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	HRH1	21	40
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	OPRK1	25	43
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	SLC6A3	33	44
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	SIGMAR1	49	43
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	CCR3	39	42
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	CCR5	46	40
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	MCHR1	33	41
CC(C)c1cccc(CN2CCC(OC(=O)N(C)C)CC2)c1	ZINC000852095375	DG	On-Demand	Anodyne	CCR8	22	41
CN(C)C(=O)OC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852095413	EC	On-Demand	Anodyne	CHRM2	38	43
CN(C)C(=O)OC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852095413	EC	On-Demand	Anodyne	CHRM3	66	43
CN(C)C(=O)OC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852095413	EC	On-Demand	Anodyne	AMY2	56	33
CN(C)C(=O)OC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852095413	EC	On-Demand	Anodyne	CYP2J2	48	34
CN(C)C(=O)OC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852095415	EC	On-Demand	Anodyne	CHRM2	38	43
CN(C)C(=O)OC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852095415	EC	On-Demand	Anodyne	CHRM3	66	43
CN(C)C(=O)OC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852095415	EC	On-Demand	Anodyne	AMY2	56	33
CN(C)C(=O)OC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852095415	EC	On-Demand	Anodyne	CYP2J2	48	34
COC(=O)[C@@H]1CN(Cc2cn(C)cn2)C[C@H]1c1ccc(O)cc1	ZINC000852095426	DD	On-Demand	Anodyne	SLC6A3	36	41
COC(=O)c1ccc2nc(CN3CCC(OC(=O)N(C)C)CC3)[nH]c2c1	ZINC000852095454	FE	On-Demand	Anodyne	DRD4	17	45
COC(=O)c1ccc2nc(CN3CCC(OC(=O)N(C)C)CC3)[nH]c2c1	ZINC000852095454	FE	On-Demand	Anodyne	GRIN2B	17	47
CN(C)C(=O)OC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000852095474	EE	On-Demand	Bother	CCR3	21	40
CCOC(=O)c1c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]c1C	ZINC000852095527	EF	On-Demand	Bother	CACNA1C	56	39
CCOC(=O)c1c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]c1C	ZINC000852095527	EF	On-Demand	Bother	CACNA1D	86	39
CCOC(=O)c1c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]c1C	ZINC000852095527	EF	On-Demand	Bother	SLC27A4	46	34
COC(=O)[C@@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095540	DE	On-Demand	Anodyne	SLC6A2	17	43
COC(=O)[C@@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095540	DE	On-Demand	Anodyne	SLC6A4	45	43
COC(=O)[C@@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095540	DE	On-Demand	Anodyne	SLC6A3	80	52
COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095541	DE	On-Demand	Anodyne	SLC6A2	17	43
COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095541	DE	On-Demand	Anodyne	SLC6A4	45	43
COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095541	DE	On-Demand	Anodyne	SLC6A3	80	52
COC(=O)[C@@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095543	DE	On-Demand	Anodyne	SLC6A2	17	43
COC(=O)[C@@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095543	DE	On-Demand	Anodyne	SLC6A4	45	43
COC(=O)[C@@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095543	DE	On-Demand	Anodyne	SLC6A3	80	52
COC(=O)[C@@H]1CN([C@H]2CC[C@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095545	DE	On-Demand	Anodyne	SLC6A2	17	43
COC(=O)[C@@H]1CN([C@H]2CC[C@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095545	DE	On-Demand	Anodyne	SLC6A4	45	43
COC(=O)[C@@H]1CN([C@H]2CC[C@H](OC)C2)C[C@H]1c1ccc(O)cc1	ZINC000852095545	DE	On-Demand	Anodyne	SLC6A3	80	52
O=C(NCCc1ccc(F)cc1F)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852095573	GF	On-Demand	Clean	CCR3	29	42
COC(=O)[C@@H]1CN(CCCC2CCC2)C[C@H]1c1ccc(O)cc1	ZINC000852095576	DG	On-Demand	Anodyne	SLC6A4	35	47
COC(=O)[C@@H]1CN(CCCC2CCC2)C[C@H]1c1ccc(O)cc1	ZINC000852095576	DG	On-Demand	Anodyne	SLC6A3	60	48
COC(=O)[C@@H]1CN([C@@H]2CCC[C@H]2O)C[C@H]1c1ccc(O)cc1	ZINC000852095589	DD	On-Demand	Anodyne	SLC6A4	37	45
COC(=O)[C@@H]1CN([C@@H]2CCC[C@H]2O)C[C@H]1c1ccc(O)cc1	ZINC000852095589	DD	On-Demand	Anodyne	SLC6A3	64	49
CCN1CC[C@@H](N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)C1=O	ZINC000852095599	ED	On-Demand	Anodyne	SLC6A3	43	42
CCN1CC[C@H](N2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)C1=O	ZINC000852095600	ED	On-Demand	Anodyne	SLC6A3	43	42
NC(=O)[C@@](O)(CN1CCC[C@H](O)CC1)c1ccccc1	ZINC000852095616	CC	On-Demand	Anodyne	SLC6A1	54	33
NC(=O)[C@@](O)(CN1CCC[C@H](O)CC1)c1ccccc1	ZINC000852095616	CC	On-Demand	Anodyne	CHRM3	46	39
NC(=O)[C@@](O)(CN1CCC[C@H](O)CC1)c1ccccc1	ZINC000852095616	CC	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@@](O)(CN1CCC[C@H](O)CC1)c1ccccc1	ZINC000852095616	CC	On-Demand	Anodyne	CYP2J2	49	37
NC(=O)[C@](O)(CN1CCC[C@@H](O)CC1)c1ccccc1	ZINC000852095617	CC	On-Demand	Anodyne	SLC6A1	54	33
NC(=O)[C@](O)(CN1CCC[C@@H](O)CC1)c1ccccc1	ZINC000852095617	CC	On-Demand	Anodyne	CHRM3	46	39
NC(=O)[C@](O)(CN1CCC[C@@H](O)CC1)c1ccccc1	ZINC000852095617	CC	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@](O)(CN1CCC[C@@H](O)CC1)c1ccccc1	ZINC000852095617	CC	On-Demand	Anodyne	CYP2J2	49	37
NC(=O)[C@@](O)(CN1CCC[C@@H](O)CC1)c1ccccc1	ZINC000852095618	CC	On-Demand	Anodyne	SLC6A1	54	33
NC(=O)[C@@](O)(CN1CCC[C@@H](O)CC1)c1ccccc1	ZINC000852095618	CC	On-Demand	Anodyne	CHRM3	46	39
NC(=O)[C@@](O)(CN1CCC[C@@H](O)CC1)c1ccccc1	ZINC000852095618	CC	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@@](O)(CN1CCC[C@@H](O)CC1)c1ccccc1	ZINC000852095618	CC	On-Demand	Anodyne	CYP2J2	49	37
NC(=O)[C@](O)(CN1CCC[C@H](O)CC1)c1ccccc1	ZINC000852095620	CC	On-Demand	Anodyne	SLC6A1	54	33
NC(=O)[C@](O)(CN1CCC[C@H](O)CC1)c1ccccc1	ZINC000852095620	CC	On-Demand	Anodyne	CHRM3	46	39
NC(=O)[C@](O)(CN1CCC[C@H](O)CC1)c1ccccc1	ZINC000852095620	CC	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@](O)(CN1CCC[C@H](O)CC1)c1ccccc1	ZINC000852095620	CC	On-Demand	Anodyne	CYP2J2	49	37
O=C(NCCc1ccc(F)cc1F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852095634	ED	On-Demand	Anodyne	HTR2A	18	40
O=C(NCCc1ccc(F)cc1F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852095636	ED	On-Demand	Anodyne	HTR2A	18	40
COC(=O)[C@@H]1CN(C[C@H](O)CN(C)C(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852095647	FD	On-Demand	Anodyne	SLC6A3	30	40
COC(=O)[C@@H]1CN(C[C@@H](O)CN(C)C(C)C)C[C@H]1c1ccc(O)cc1	ZINC000852095650	FD	On-Demand	Anodyne	SLC6A3	30	40
COC(=O)[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@H]1c1ccc(O)cc1	ZINC000852095695	EF	On-Demand	Mild	SLC6A3	46	42
COC(=O)[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@H]1c1ccc(O)cc1	ZINC000852095696	EF	On-Demand	Mild	SLC6A3	46	42
CN(C)C(=O)OC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852095704	CE	On-Demand	Mild	CHRM1	15	40
CN(C)C(=O)OC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852095704	CE	On-Demand	Mild	CHRM4	26	40
CN(C)C(=O)OC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852095704	CE	On-Demand	Mild	CHRM5	31	40
CN(C)C(=O)OC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852095704	CE	On-Demand	Mild	CHRM3	21	40
CN(C)C(=O)OC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852095704	CE	On-Demand	Mild	PTAFR	38	44
CN(C)C(=O)OC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852095705	CE	On-Demand	Mild	CHRM1	15	40
CN(C)C(=O)OC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852095705	CE	On-Demand	Mild	CHRM4	26	40
CN(C)C(=O)OC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852095705	CE	On-Demand	Mild	CHRM5	31	40
CN(C)C(=O)OC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852095705	CE	On-Demand	Mild	CHRM3	21	40
CN(C)C(=O)OC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852095705	CE	On-Demand	Mild	PTAFR	38	44
FC(F)OCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852095762	CG	On-Demand	Anodyne	SLC6A3	17	41
FC(F)OCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852095762	CG	On-Demand	Anodyne	CCR3	20	42
FC(F)OCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852095762	CG	On-Demand	Anodyne	EBP	19	45
FC(F)OCCN1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852095763	CG	On-Demand	Anodyne	SLC6A3	17	41
FC(F)OCCN1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852095763	CG	On-Demand	Anodyne	CCR3	20	42
FC(F)OCCN1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852095763	CG	On-Demand	Anodyne	EBP	19	45
Cn1cnc(CN2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1	ZINC000852095787	EG	On-Demand	Anodyne	GPR119	38	44
Cn1cnc(CN2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1	ZINC000852095788	EG	On-Demand	Anodyne	GPR119	38	44
Cn1cnc(CN2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1	ZINC000852095789	EG	On-Demand	Anodyne	GPR119	38	44
Cn1cnc(CN2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1	ZINC000852095790	EG	On-Demand	Anodyne	GPR119	38	44
Cc1nc(CN2CCC(CNC(=O)N[C@H]3C=CCC3)CC2)oc1C	ZINC000852095791	EF	On-Demand	Anodyne	CACNA1I	59	37
Cc1nc(CN2CCC(CNC(=O)N[C@@H]3C=CCC3)CC2)oc1C	ZINC000852095792	EF	On-Demand	Anodyne	CACNA1I	59	37
CN(C)C(=O)OC1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852095794	EH	On-Demand	Anodyne	SIGMAR1	27	41
CN(C)C(=O)OC1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852095794	EH	On-Demand	Anodyne	CCR5	60	39
CC(C)(C)OC(=O)N1CCN([C@@H]2CCCC[C@H]2O)C[C@@](C)(F)C1	ZINC000852095826	EF	On-Demand	Anodyne	GPR119	42	41
CC(C)(C)OC(=O)N1CCN([C@@H]2CCCC[C@H]2O)C[C@](C)(F)C1	ZINC000852095827	EF	On-Demand	Anodyne	GPR119	42	41
CN(C)C(=O)OC1CCN(CCSc2cccc(Cl)c2)CC1	ZINC000852095916	EH	On-Demand	Anodyne	CCR5	29	40
CN(C)C(=O)OC1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852095917	CD	On-Demand	Anodyne	SLC18A3	71	46
C[C@@H]1CCN(C(=O)N[C@H]2c3ccccc3C[C@H]2C)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852095954	GG	On-Demand	Anodyne	RBP4	47	34
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852095957	GG	On-Demand	Anodyne	RBP4	47	34
CN(C)C(=O)OC1CCN(CCc2nsc3ccccc23)CC1	ZINC000852095967	EG	On-Demand	Anodyne	HTR1A	23	44
CN(C)C(=O)OC1CCN(CCc2nsc3ccccc23)CC1	ZINC000852095967	EG	On-Demand	Anodyne	DRD2	28	43
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2Cc2cccc(F)n2)C1	ZINC000852095982	FH	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2Cc2cccc(F)n2)C1	ZINC000852095983	FH	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2Cc2cccc(F)n2)C1	ZINC000852095984	FH	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2Cc2cccc(F)n2)C1	ZINC000852095985	FH	On-Demand	Anodyne	GPR119	36	42
Cc1ccccc1[C@@H](NC(=O)NCc1ncccn1)C(C)C	ZINC000852096051	CF	On-Demand	Anodyne	ANPEP	18	44
Cc1ccccc1[C@H](NC(=O)NCc1ncccn1)C(C)C	ZINC000852096052	CF	On-Demand	Anodyne	ANPEP	18	44
C[C@@H]1CCN(C(=O)NCCc2ccc(F)cc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852096089	GF	On-Demand	Anodyne	HTR2A	17	42
CN(C)C(=O)OC1CCN(CCSc2ccc(F)cc2F)CC1	ZINC000852096101	EG	On-Demand	Anodyne	CCR5	40	42
CN(C)C(=O)OC1CCN(Cc2nsc3ccccc23)CC1	ZINC000852096160	DF	On-Demand	Anodyne	HTR1A	17	42
CN(C)C(=O)OC1CCN(Cc2nsc3ccccc23)CC1	ZINC000852096160	DF	On-Demand	Anodyne	DRD2	22	43
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCC1SCCS1	ZINC000852096166	DG	On-Demand	Anodyne	PLM1_PLAFA	40	41
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCC1SCCS1	ZINC000852096166	DG	On-Demand	Anodyne	PLM2_PLAFA	34	41
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCC1SCCS1	ZINC000852096167	DG	On-Demand	Anodyne	PLM1_PLAFA	40	41
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCC1SCCS1	ZINC000852096167	DG	On-Demand	Anodyne	PLM2_PLAFA	34	41
Cc1nc(CN2CCC(CNC(=O)NCCC3SCCS3)CC2)oc1C	ZINC000852096181	GF	On-Demand	Anodyne	CACNA1I	53	35
CN(C)C(=O)OC1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852096184	FD	On-Demand	Anodyne	CHRM3	20	40
COc1cc(CN2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)on1	ZINC000852096189	FG	On-Demand	Anodyne	GPR119	33	41
COC(=O)[C@@H]1CN(C[C@@H](OC)C2CCCC2)C[C@H]1c1ccc(O)cc1	ZINC000852096201	EF	On-Demand	Anodyne	SLC6A4	30	42
COC(=O)[C@@H]1CN(C[C@@H](OC)C2CCCC2)C[C@H]1c1ccc(O)cc1	ZINC000852096201	EF	On-Demand	Anodyne	SLC6A3	55	44
COC(=O)[C@@H]1CN(C[C@H](OC)C2CCCC2)C[C@H]1c1ccc(O)cc1	ZINC000852096202	EF	On-Demand	Anodyne	SLC6A4	30	42
COC(=O)[C@@H]1CN(C[C@H](OC)C2CCCC2)C[C@H]1c1ccc(O)cc1	ZINC000852096202	EF	On-Demand	Anodyne	SLC6A3	55	44
O=C(NCCc1ccc(F)cc1F)N1CCn2ncc(Br)c2C1	ZINC000852096292	GF	On-Demand	Anodyne	HTR2A	18	44
CN(C)C(=O)OC1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852096301	DG	On-Demand	Anodyne	HTR1A	16	45
CN(C)C(=O)OC1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852096301	DG	On-Demand	Anodyne	DRD2	16	42
CN(C)C(=O)OC1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852096301	DG	On-Demand	Anodyne	SIGMAR1	31	46
CN(C)C(=O)OC1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852096301	DG	On-Demand	Anodyne	EBP	29	46
CN(C)C(=O)OC1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852096301	DG	On-Demand	Anodyne	ACHP_LYMST	35	47
CN(C)C(=O)OC1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852096302	DG	On-Demand	Anodyne	HTR1A	16	45
CN(C)C(=O)OC1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852096302	DG	On-Demand	Anodyne	DRD2	16	42
CN(C)C(=O)OC1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852096302	DG	On-Demand	Anodyne	SIGMAR1	31	46
CN(C)C(=O)OC1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852096302	DG	On-Demand	Anodyne	EBP	29	46
CN(C)C(=O)OC1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852096302	DG	On-Demand	Anodyne	ACHP_LYMST	35	47
Cc1nc(CN2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)co1	ZINC000852096303	EH	On-Demand	Anodyne	GPR119	31	40
Cc1nc(CN2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)co1	ZINC000852096304	EH	On-Demand	Anodyne	GPR119	31	40
Cc1nc(CN2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)co1	ZINC000852096305	EH	On-Demand	Anodyne	GPR119	31	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096306	GF	On-Demand	Mild	LPL	46	37
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096306	GF	On-Demand	Mild	EPHX2	15	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096306	GF	On-Demand	Mild	F13A1	54	37
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096306	GF	On-Demand	Mild	AKR1C3	40	37
Cc1nc(CN2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)co1	ZINC000852096307	EH	On-Demand	Anodyne	GPR119	31	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096310	GF	On-Demand	Mild	LPL	46	37
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096310	GF	On-Demand	Mild	EPHX2	15	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096310	GF	On-Demand	Mild	F13A1	54	37
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096310	GF	On-Demand	Mild	AKR1C3	40	37
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096312	GF	On-Demand	Mild	LPL	46	37
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096312	GF	On-Demand	Mild	EPHX2	15	46
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096312	GF	On-Demand	Mild	F13A1	54	37
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096312	GF	On-Demand	Mild	AKR1C3	40	37
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096314	GF	On-Demand	Mild	LPL	46	37
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096314	GF	On-Demand	Mild	EPHX2	15	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096314	GF	On-Demand	Mild	F13A1	54	37
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852096314	GF	On-Demand	Mild	AKR1C3	40	37
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852096317	FG	On-Demand	Anodyne	PLM1_PLAFA	43	41
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852096317	FG	On-Demand	Anodyne	PLM2_PLAFA	68	41
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852096319	FG	On-Demand	Anodyne	PLM1_PLAFA	43	41
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852096319	FG	On-Demand	Anodyne	PLM2_PLAFA	68	41
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852096322	FG	On-Demand	Anodyne	PLM1_PLAFA	43	41
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852096322	FG	On-Demand	Anodyne	PLM2_PLAFA	68	41
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852096324	FG	On-Demand	Anodyne	PLM1_PLAFA	43	41
C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852096324	FG	On-Demand	Anodyne	PLM2_PLAFA	68	41
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccn2)C[C@@](C)(F)C1	ZINC000852096336	FE	On-Demand	Anodyne	GPR119	27	43
Cc1nc(CN2CCC(CNC(=O)NCc3ncccn3)CC2)oc1C	ZINC000852096337	FD	On-Demand	Anodyne	HTR4	56	38
Cc1nc(CN2CCC(CNC(=O)NCc3ncccn3)CC2)oc1C	ZINC000852096337	FD	On-Demand	Anodyne	CACNA1I	61	37
CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccn2)C[C@@](C)(F)C1	ZINC000852096338	FE	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccn2)C[C@](C)(F)C1	ZINC000852096339	FE	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccn2)C[C@](C)(F)C1	ZINC000852096340	FE	On-Demand	Anodyne	GPR119	27	43
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(OC)c(OC)c1	ZINC000852096343	DD	On-Demand	Mild	MTNR1B	17	43
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(OC)c(OC)c1	ZINC000852096343	DD	On-Demand	Mild	MT-ND1	19	40
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(OC)c(OC)c1	ZINC000852096345	DD	On-Demand	Mild	MTNR1B	17	43
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(OC)c(OC)c1	ZINC000852096345	DD	On-Demand	Mild	MT-ND1	19	40
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@H]1C=CCC1	ZINC000852096369	DH	On-Demand	Anodyne	EPHX2	17	40
C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852096371	DH	On-Demand	Anodyne	EPHX2	17	40
CCOP(=O)(OCC)[C@H](O)CN1CCc2ccc(-c3ccccc3)cc2C1	ZINC000852096390	GI	On-Demand	Anodyne	HSD17B3	26	41
CCOP(=O)(OCC)[C@@H](O)CN1CCc2ccc(-c3ccccc3)cc2C1	ZINC000852096392	GI	On-Demand	Anodyne	HSD17B3	26	41
C#C[C@@](C)(CC)NCC(=O)NCCCCCC	ZINC000852096401	BE	On-Demand	Mild	ASAH1	63	33
C#C[C@](C)(CC)NCC(=O)NCCCCCC	ZINC000852096402	BE	On-Demand	Mild	ASAH1	63	33
COCCN(CCF)C(=O)N[C@@H]1c2ccccc2C[C@H]1C	ZINC000852096443	CF	On-Demand	Anodyne	ADAM9	40	31
COCCN(CCF)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C	ZINC000852096452	CF	On-Demand	Anodyne	ADAM9	40	31
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(F)c3F)C2)cc1	ZINC000852096478	GG	On-Demand	Clean	DRD4	43	36
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(F)c3F)C2)cc1	ZINC000852096478	GG	On-Demand	Clean	MTNR1A	58	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(F)c3F)C2)cc1	ZINC000852096478	GG	On-Demand	Clean	MTNR1B	39	46
CC(C)(C)OC(=O)N1CCN(Cc2cccc(N)c2)C[C@@](C)(F)C1	ZINC000852096486	EG	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CCN(Cc2cccc(N)c2)C[C@](C)(F)C1	ZINC000852096487	EG	On-Demand	Anodyne	GPR119	28	41
Cc1nc(CN2CCC(CNC(=O)NCC3SCCS3)CC2)oc1C	ZINC000852096511	GF	On-Demand	Anodyne	CACNA1I	55	37
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)cc3F)C2)cc1	ZINC000852096553	GG	On-Demand	Clean	CCR3	35	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)cc3F)C2)cc1	ZINC000852096553	GG	On-Demand	Clean	MTNR1A	50	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)cc3F)C2)cc1	ZINC000852096553	GG	On-Demand	Clean	MTNR1B	36	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)cc3F)C2)cc1	ZINC000852096553	GG	On-Demand	Clean	MCHR1	19	45
NC(=O)[C@](O)(CN(C1CC1)C1COC1)c1ccccc1	ZINC000852096555	CC	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@@](O)(CN(C1CC1)C1COC1)c1ccccc1	ZINC000852096556	CC	On-Demand	Anodyne	AMY2	44	30
Cc1ccccc1CCN(C)CC(=O)Nc1ccc(Cl)nc1	ZINC000852096607	DG	On-Demand	Anodyne	LTA4H	20	41
C#C[C@](C)(CC)NCC(=O)Nc1ccccc1N1CCCC1=O	ZINC000852096620	DE	On-Demand	Mild	KCNQ2	73	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1N1CCCC1=O	ZINC000852096621	DE	On-Demand	Mild	KCNQ2	73	40
C#C[C@](C)(CC)NCC(=O)N1c2ccccc2C[C@H]1C	ZINC000852096625	CE	On-Demand	Mild	DRD4	25	48
C#C[C@](C)(CC)NCC(=O)N1c2ccccc2C[C@H]1C	ZINC000852096625	CE	On-Demand	Mild	TPP2	61	39
C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2C[C@H]1C	ZINC000852096626	CE	On-Demand	Mild	DRD4	25	48
C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2C[C@H]1C	ZINC000852096626	CE	On-Demand	Mild	TPP2	61	39
C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2C[C@@H]1C	ZINC000852096627	CE	On-Demand	Mild	DRD4	25	48
C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2C[C@@H]1C	ZINC000852096627	CE	On-Demand	Mild	TPP2	61	39
C#C[C@](C)(CC)NCC(=O)N1c2ccccc2C[C@@H]1C	ZINC000852096628	CE	On-Demand	Mild	DRD4	25	48
C#C[C@](C)(CC)NCC(=O)N1c2ccccc2C[C@@H]1C	ZINC000852096628	CE	On-Demand	Mild	TPP2	61	39
C#C[C@](C)(CC)NC[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000852096631	CD	On-Demand	Mild	ADRB2	23	44
C#C[C@](C)(CC)NC[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000852096631	CD	On-Demand	Mild	ADRB1	21	44
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000852096632	CD	On-Demand	Mild	ADRB2	23	44
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000852096632	CD	On-Demand	Mild	ADRB1	21	44
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000852096633	CD	On-Demand	Mild	ADRB2	23	44
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000852096633	CD	On-Demand	Mild	ADRB1	21	44
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000852096634	CD	On-Demand	Mild	ADRB2	23	44
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000852096634	CD	On-Demand	Mild	ADRB1	21	44
C#C[C@@](C)(CC)NCC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000852096635	ED	On-Demand	Mild	ABCB1	16	48
C#C[C@](C)(CC)NCC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000852096636	ED	On-Demand	Mild	ABCB1	16	48
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	KDR	15	41
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	SLC1A1	18	42
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	CCR2	41	37
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	SLC1A2	31	42
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	TEK	24	41
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	BTK	21	42
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	BRAF	34	43
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	EPHB4	16	40
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	KCNK3	91	47
O=C(CON=Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000852096643	IK	On-Demand	Mild	KCNK9	59	38
CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2O)C[C@](C)(F)C1	ZINC000852096665	DE	On-Demand	Anodyne	GPR119	42	41
CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2O)C[C@@](C)(F)C1	ZINC000852096666	DE	On-Demand	Anodyne	GPR119	42	41
C#C[C@](C)(CC)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852096667	EE	On-Demand	Mild	HTR1A	25	48
C#C[C@](C)(CC)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852096667	EE	On-Demand	Mild	HTR2A	20	46
C#C[C@](C)(CC)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852096667	EE	On-Demand	Mild	DRD3	17	42
C#C[C@](C)(CC)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852096667	EE	On-Demand	Mild	MAPK1	15	46
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852096668	EE	On-Demand	Mild	HTR1A	25	48
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852096668	EE	On-Demand	Mild	HTR2A	20	46
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852096668	EE	On-Demand	Mild	DRD3	17	42
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852096668	EE	On-Demand	Mild	MAPK1	15	46
C#C[C@@](C)(CC)NCC(=O)N1CCc2ccccc2C1	ZINC000852096686	CD	On-Demand	Mild	DPP8	29	50
C#C[C@@](C)(CC)NCC(=O)N1CCc2ccccc2C1	ZINC000852096686	CD	On-Demand	Mild	NOD2	40	34
C#C[C@](C)(CC)NCC(=O)N1CCc2ccccc2C1	ZINC000852096687	CD	On-Demand	Mild	DPP8	29	50
C#C[C@](C)(CC)NCC(=O)N1CCc2ccccc2C1	ZINC000852096687	CD	On-Demand	Mild	NOD2	40	34
COC(=O)N(C)CCNC(=O)NCCc1ccc(F)cc1F	ZINC000852096737	DD	On-Demand	Anodyne	MTNR1A	42	40
CNS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000852096740	EE	On-Demand	Bother	KCNJ1	15	40
C[C@@H]1CN(CCN2CCC[C@](C)(F)C2)C[C@@H](C)O1	ZINC000852096748	CD	On-Demand	Anodyne	ERG2	17	40
C[C@@H]1CN(CCN2CCC[C@](C)(F)C2)C[C@@H](C)O1	ZINC000852096748	CD	On-Demand	Anodyne	Q2TU57_MAIZE	18	40
C[C@@H]1CN(CCN2CCC[C@@](C)(F)C2)C[C@@H](C)O1	ZINC000852096749	CD	On-Demand	Anodyne	ERG2	17	40
C[C@@H]1CN(CCN2CCC[C@@](C)(F)C2)C[C@@H](C)O1	ZINC000852096749	CD	On-Demand	Anodyne	Q2TU57_MAIZE	18	40
C#C[C@@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096844	DF	On-Demand	Mild	GRIN2B	86	44
C#C[C@@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096844	DF	On-Demand	Mild	SIGMAR1	17	42
C#C[C@@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096844	DF	On-Demand	Mild	CCR3	39	41
C#C[C@@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096844	DF	On-Demand	Mild	DPP4	16	44
C#C[C@@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096844	DF	On-Demand	Mild	GRIN2C	20	40
C#C[C@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096845	DF	On-Demand	Mild	GRIN2B	86	44
C#C[C@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096845	DF	On-Demand	Mild	SIGMAR1	17	42
C#C[C@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096845	DF	On-Demand	Mild	CCR3	39	41
C#C[C@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096845	DF	On-Demand	Mild	DPP4	16	44
C#C[C@](C)(CC)NCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852096845	DF	On-Demand	Mild	GRIN2C	20	40
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852096846	EF	On-Demand	Anodyne	AMY2	51	29
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852096847	EF	On-Demand	Anodyne	AMY2	51	29
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852096848	EF	On-Demand	Anodyne	AMY2	51	29
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852096849	EF	On-Demand	Anodyne	AMY2	51	29
CCOP(=O)(OCC)[C@H](O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C	ZINC000852096853	FH	On-Demand	Anodyne	ADAM9	48	35
CCOP(=O)(OCC)[C@H](O)CN1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C	ZINC000852096854	FH	On-Demand	Anodyne	ADAM9	48	35
CCOP(=O)(OCC)[C@H](O)CN1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C	ZINC000852096855	FH	On-Demand	Anodyne	ADAM9	48	35
CCOP(=O)(OCC)[C@H](O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C	ZINC000852096856	FH	On-Demand	Anodyne	ADAM9	48	35
O=C(NCCc1cccc(F)c1F)NCCS(=O)(=O)CC(F)(F)F	ZINC000852096861	FD	On-Demand	Anodyne	MTNR1A	15	40
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096866	CD	On-Demand	Mild	ROCK1	38	40
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096866	CD	On-Demand	Mild	MTNR1A	66	45
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096866	CD	On-Demand	Mild	MTNR1B	63	45
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096866	CD	On-Demand	Mild	ROCK2	45	44
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096866	CD	On-Demand	Mild	PDS	48	40
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096867	CD	On-Demand	Mild	ROCK1	38	40
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096867	CD	On-Demand	Mild	MTNR1A	66	45
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096867	CD	On-Demand	Mild	MTNR1B	63	45
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096867	CD	On-Demand	Mild	ROCK2	45	44
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OC)c1	ZINC000852096867	CD	On-Demand	Mild	PDS	48	40
C#C[C@@](C)(CC)NCc1nc(-c2ccccc2)oc1C	ZINC000852096887	CH	On-Demand	Mild	PPARG	51	42
C#C[C@@](C)(CC)NCc1nc(-c2ccccc2)oc1C	ZINC000852096887	CH	On-Demand	Mild	PPARA	57	42
C#C[C@@](C)(CC)NCc1nc(-c2ccccc2)oc1C	ZINC000852096887	CH	On-Demand	Mild	PDE8B	62	36
C#C[C@](C)(CC)NCc1nc(-c2ccccc2)oc1C	ZINC000852096888	CH	On-Demand	Mild	PPARG	51	42
C#C[C@](C)(CC)NCc1nc(-c2ccccc2)oc1C	ZINC000852096888	CH	On-Demand	Mild	PPARA	57	42
C#C[C@](C)(CC)NCc1nc(-c2ccccc2)oc1C	ZINC000852096888	CH	On-Demand	Mild	PDE8B	62	36
NC(=O)[C@](O)(CN1CCCC[C@H]1c1nc[nH]n1)c1ccccc1	ZINC000852096893	DC	On-Demand	Anodyne	CPT1A	103	37
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1	ZINC000852096894	DC	On-Demand	Anodyne	CPT1A	103	37
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1	ZINC000852096895	DC	On-Demand	Anodyne	CPT1A	103	37
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1nc[nH]n1)c1ccccc1	ZINC000852096896	DC	On-Demand	Anodyne	CPT1A	103	37
C#C[C@@](C)(CC)NCc1cccc(C(=O)OC)c1	ZINC000852097023	BE	On-Demand	Mild	PTPRB	18	45
C#C[C@](C)(CC)NCc1cccc(C(=O)OC)c1	ZINC000852097025	BE	On-Demand	Mild	PTPRB	18	45
C#C[C@](C)(CC)NCC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1	ZINC000852097033	FE	On-Demand	Mild	SLC27A4	75	35
C#C[C@@](C)(CC)NCC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1	ZINC000852097034	FE	On-Demand	Mild	SLC27A4	75	35
C#C[C@@](C)(CC)NCC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1	ZINC000852097035	FE	On-Demand	Mild	SLC27A4	75	35
C#C[C@](C)(CC)NCC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1	ZINC000852097036	FE	On-Demand	Mild	SLC27A4	75	35
C#C[C@](C)(CC)NCC(=O)N1c2ccccc2CC[C@@H]1C	ZINC000852097079	CF	On-Demand	Mild	ACE	17	40
C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2CC[C@H]1C	ZINC000852097080	CF	On-Demand	Mild	ACE	17	40
C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2CC[C@@H]1C	ZINC000852097081	CF	On-Demand	Mild	ACE	17	40
C#C[C@](C)(CC)NCC(=O)N1c2ccccc2CC[C@H]1C	ZINC000852097082	CF	On-Demand	Mild	ACE	17	40
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1	ZINC000852097097	CE	On-Demand	Mild	ADRB2	43	45
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1	ZINC000852097097	CE	On-Demand	Mild	ADRB1	52	44
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1	ZINC000852097098	CE	On-Demand	Mild	ADRB2	43	45
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1	ZINC000852097098	CE	On-Demand	Mild	ADRB1	52	44
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1	ZINC000852097099	CE	On-Demand	Mild	ADRB2	43	45
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1	ZINC000852097099	CE	On-Demand	Mild	ADRB1	52	44
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1	ZINC000852097100	CE	On-Demand	Mild	ADRB2	43	45
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1	ZINC000852097100	CE	On-Demand	Mild	ADRB1	52	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852097121	EG	On-Demand	Mild	P2RY1	62	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852097121	EG	On-Demand	Mild	EPHX2	48	42
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852097122	EG	On-Demand	Mild	P2RY1	62	41
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852097122	EG	On-Demand	Mild	EPHX2	48	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852097123	EG	On-Demand	Mild	P2RY1	62	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852097123	EG	On-Demand	Mild	EPHX2	48	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852097124	EG	On-Demand	Mild	P2RY1	62	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852097124	EG	On-Demand	Mild	EPHX2	48	42
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(NC(C)=O)c1	ZINC000852097125	CD	On-Demand	Mild	KCNK3	74	35
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(NC(C)=O)c1	ZINC000852097125	CD	On-Demand	Mild	KCNK9	57	35
C#C[C@](C)(CC)NCC(=O)Nc1cccc(NC(C)=O)c1	ZINC000852097126	CD	On-Demand	Mild	KCNK3	74	35
C#C[C@](C)(CC)NCC(=O)Nc1cccc(NC(C)=O)c1	ZINC000852097126	CD	On-Demand	Mild	KCNK9	57	35
C#C[C@](C)(CC)NCC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000852097129	ED	On-Demand	Mild	HCN1	53	32
C#C[C@](C)(CC)NCC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000852097129	ED	On-Demand	Mild	HCN4	49	32
C#C[C@@](C)(CC)NCC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000852097130	ED	On-Demand	Mild	HCN1	53	32
C#C[C@@](C)(CC)NCC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000852097130	ED	On-Demand	Mild	HCN4	49	32
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)C[C@](C)(F)C1	ZINC000852097181	FD	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)C[C@@](C)(F)C1	ZINC000852097184	FD	On-Demand	Anodyne	GPR119	26	44
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000852097207	GG	On-Demand	Mild	PTGER1	42	35
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000852097207	GG	On-Demand	Mild	MT-ND1	18	40
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000852097207	GG	On-Demand	Mild	DRTS_TRYCR	47	36
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000852097209	GG	On-Demand	Mild	PTGER1	42	35
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000852097209	GG	On-Demand	Mild	MT-ND1	18	40
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000852097209	GG	On-Demand	Mild	DRTS_TRYCR	47	36
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000852097211	GD	On-Demand	Mild	PKM	31	41
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000852097211	GD	On-Demand	Mild	TGM2	41	34
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000852097211	GD	On-Demand	Mild	F13A1	59	34
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000852097211	GD	On-Demand	Mild	AKR1C3	41	36
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000852097213	GD	On-Demand	Mild	PKM	31	41
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000852097213	GD	On-Demand	Mild	TGM2	41	34
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000852097213	GD	On-Demand	Mild	F13A1	59	34
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000852097213	GD	On-Demand	Mild	AKR1C3	41	36
CC(C)(C)OC(=O)N1CCN(Cc2cnc3ccccc3n2)C[C@](C)(F)C1	ZINC000852097227	FG	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CCN(Cc2cnc3ccccc3n2)C[C@@](C)(F)C1	ZINC000852097229	FG	On-Demand	Anodyne	GPR119	27	41
O=C(NCCc1ccc(F)cc1F)N1CCC(N2CCOC2=O)CC1	ZINC000852097233	FE	On-Demand	Anodyne	HTR2A	18	41
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852097261	CD	On-Demand	Anodyne	CHRM2	15	42
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852097261	CD	On-Demand	Anodyne	CHRM3	26	42
NC(=O)[C@@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852097262	CD	On-Demand	Anodyne	CHRM2	15	42
NC(=O)[C@@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1)c1ccccc1	ZINC000852097262	CD	On-Demand	Anodyne	CHRM3	26	42
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852097297	FE	On-Demand	Mild	NPY2R	99	41
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852097297	FE	On-Demand	Mild	SLC6A9	24	46
C#C[C@](C)(CC)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852097298	FE	On-Demand	Mild	NPY2R	99	41
C#C[C@](C)(CC)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852097298	FE	On-Demand	Mild	SLC6A9	24	46
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000852097305	DE	On-Demand	Mild	ADRB2	24	43
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000852097305	DE	On-Demand	Mild	CASR	41	35
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000852097306	DE	On-Demand	Mild	ADRB2	24	43
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000852097306	DE	On-Demand	Mild	CASR	41	35
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000852097307	DE	On-Demand	Mild	ADRB2	24	43
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000852097307	DE	On-Demand	Mild	CASR	41	35
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000852097308	DE	On-Demand	Mild	ADRB2	24	43
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1OC	ZINC000852097308	DE	On-Demand	Mild	CASR	41	35
C#C[C@](C)(CC)NCC(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852097345	DG	On-Demand	Mild	F7	21	49
C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852097346	DG	On-Demand	Mild	F7	21	49
C#C[C@@](C)(CC)NCC(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852097347	DG	On-Demand	Mild	F7	21	49
C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852097348	DG	On-Demand	Mild	F7	21	49
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(OCC)cc1	ZINC000852097376	CE	On-Demand	Mild	ADRB2	49	49
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(OCC)cc1	ZINC000852097376	CE	On-Demand	Mild	ADRB1	45	43
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(OCC)cc1	ZINC000852097377	CE	On-Demand	Mild	ADRB2	49	49
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(OCC)cc1	ZINC000852097377	CE	On-Demand	Mild	ADRB1	45	43
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(OCC)cc1	ZINC000852097378	CE	On-Demand	Mild	ADRB2	49	49
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(OCC)cc1	ZINC000852097378	CE	On-Demand	Mild	ADRB1	45	43
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(OCC)cc1	ZINC000852097379	CE	On-Demand	Mild	ADRB2	49	49
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(OCC)cc1	ZINC000852097379	CE	On-Demand	Mild	ADRB1	45	43
CN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C(N)=O	ZINC000852097401	CB	On-Demand	Anodyne	AMY2	57	36
COC(=O)[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)C[C@H]1c1ccc(O)cc1	ZINC000852097465	FG	On-Demand	Mild	SLC6A4	30	50
COC(=O)[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)C[C@H]1c1ccc(O)cc1	ZINC000852097465	FG	On-Demand	Mild	SLC6A3	53	50
COC(=O)[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)C[C@H]1c1ccc(O)cc1	ZINC000852097466	FG	On-Demand	Mild	SLC6A4	30	50
COC(=O)[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)C[C@H]1c1ccc(O)cc1	ZINC000852097466	FG	On-Demand	Mild	SLC6A3	53	50
C#C[C@@](C)(CC)NCC(=O)N1CCc2ccccc21	ZINC000852097491	CD	On-Demand	Mild	AVPR2	34	41
C#C[C@](C)(CC)NCC(=O)N1CCc2ccccc21	ZINC000852097492	CD	On-Demand	Mild	AVPR2	34	41
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097548	DD	On-Demand	Mild	ADRB2	53	48
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097548	DD	On-Demand	Mild	ADRB1	61	44
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097548	DD	On-Demand	Mild	ADRB3	40	44
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097549	DD	On-Demand	Mild	ADRB2	53	48
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097549	DD	On-Demand	Mild	ADRB1	61	44
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097549	DD	On-Demand	Mild	ADRB3	40	44
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097550	DD	On-Demand	Mild	ADRB2	53	48
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097550	DD	On-Demand	Mild	ADRB1	61	44
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097550	DD	On-Demand	Mild	ADRB3	40	44
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097551	DD	On-Demand	Mild	ADRB2	53	48
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097551	DD	On-Demand	Mild	ADRB1	61	44
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1	ZINC000852097551	DD	On-Demand	Mild	ADRB3	40	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852097552	GD	On-Demand	Mild	CNR2	20	67
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852097552	GD	On-Demand	Mild	NR1H4	22	48
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852097552	GD	On-Demand	Mild	EPHX2	19	42
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852097553	GD	On-Demand	Mild	CNR2	20	67
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852097553	GD	On-Demand	Mild	NR1H4	22	48
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852097553	GD	On-Demand	Mild	EPHX2	19	42
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]2CCCC[C@H]21	ZINC000852097558	CF	On-Demand	Mild	DPP4	32	47
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]2CCCC[C@@H]21	ZINC000852097559	CF	On-Demand	Mild	DPP4	32	47
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21	ZINC000852097560	CF	On-Demand	Mild	DPP4	32	47
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]2CCCC[C@H]21	ZINC000852097561	CF	On-Demand	Mild	DPP4	32	47
C#C[C@@](C)(CC)NCC(=O)N1CCCc2ccccc21	ZINC000852097562	CE	On-Demand	Mild	AVPR2	50	48
C#C[C@](C)(CC)NCC(=O)N1CCCc2ccccc21	ZINC000852097563	CE	On-Demand	Mild	AVPR2	50	48
NC(=O)[C@](O)(CN1CCC2(CCC(O)CC2)CC1)c1ccccc1	ZINC000852097612	ED	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@@](O)(CN1CCC2(CCC(O)CC2)CC1)c1ccccc1	ZINC000852097614	ED	On-Demand	Anodyne	CYP2J2	45	32
COC[C@@H](CN1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1)OC	ZINC000852097625	DD	On-Demand	Anodyne	SLC6A3	44	43
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CCOC(F)F	ZINC000852097646	CG	On-Demand	Anodyne	SLC6A3	29	44
C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1CCOC(F)F	ZINC000852097648	CG	On-Demand	Anodyne	SLC6A3	29	44
C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1CCOC(F)F	ZINC000852097649	CG	On-Demand	Anodyne	SLC6A3	29	44
C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@H]1C(=O)OCC	ZINC000852097764	CD	On-Demand	Mild	FKBP1A	43	43
C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@H]1C(=O)OCC	ZINC000852097764	CD	On-Demand	Mild	DPP4	17	45
C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@@H]1C(=O)OCC	ZINC000852097765	CD	On-Demand	Mild	FKBP1A	43	43
C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@@H]1C(=O)OCC	ZINC000852097765	CD	On-Demand	Mild	DPP4	17	45
COC(=O)[C@@H]1CN(CC(F)(F)Br)C[C@H]1c1ccc(O)cc1	ZINC000852097767	FF	On-Demand	Anodyne	SLC6A4	28	45
COC(=O)[C@@H]1CN(CC(F)(F)Br)C[C@H]1c1ccc(O)cc1	ZINC000852097767	FF	On-Demand	Anodyne	SLC6A3	47	43
C#C[C@](C)(CC)NCC(=O)N1CCCC[C@@H]1C(=O)OCC	ZINC000852097783	CD	On-Demand	Mild	FKBP1A	43	43
C#C[C@](C)(CC)NCC(=O)N1CCCC[C@@H]1C(=O)OCC	ZINC000852097783	CD	On-Demand	Mild	DPP4	17	45
C#C[C@](C)(CC)NCC(=O)N1CCCC[C@H]1C(=O)OCC	ZINC000852097784	CD	On-Demand	Mild	FKBP1A	43	43
C#C[C@](C)(CC)NCC(=O)N1CCCC[C@H]1C(=O)OCC	ZINC000852097784	CD	On-Demand	Mild	DPP4	17	45
C#C[C@@](C)(CC)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000852097797	EE	On-Demand	Mild	EPHX2	34	45
C#C[C@@](C)(CC)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000852097797	EE	On-Demand	Mild	CCR8	42	40
C#C[C@](C)(CC)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000852097798	EE	On-Demand	Mild	EPHX2	34	45
C#C[C@](C)(CC)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000852097798	EE	On-Demand	Mild	CCR8	42	40
C#C[C@@](C)(CC)NCC(=O)N(C)Cc1ccccc1	ZINC000852097815	CE	On-Demand	Mild	CTSB	15	45
C#C[C@](C)(CC)NCC(=O)N(C)Cc1ccccc1	ZINC000852097816	CE	On-Demand	Mild	CTSB	15	45
COC(=O)N(C)CCNC(=O)NCCc1cccc(F)c1F	ZINC000852097867	DD	On-Demand	Anodyne	MTNR1A	37	42
C#C[C@@](C)(CC)NCC(=O)NCc1c(C)nn(Cc2ccccc2)c1C	ZINC000852097876	FF	On-Demand	Mild	P2RX7	24	48
C#C[C@](C)(CC)NCC(=O)NCc1c(C)nn(Cc2ccccc2)c1C	ZINC000852097877	FF	On-Demand	Mild	P2RX7	24	48
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OCC)c(OCC)c1	ZINC000852097888	DF	On-Demand	Mild	ENPP1	61	33
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OCC)c(OCC)c1	ZINC000852097889	DF	On-Demand	Mild	ENPP1	61	33
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	ACE	29	40
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	OPRM1	37	43
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	OPRD1	32	43
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	MME	91	39
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	ANPEP	59	35
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	FCER2	53	33
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	PAPA1_CARPA	60	41
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	CYSP_TRYCR	46	34
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	CTSL	34	43
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	TIMP3	46	36
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	CAPNS1	62	33
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	HLA-DRB1	52	38
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	CAPN1	48	39
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	ACE2	56	37
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	FPR1	64	36
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	CTRB_BOVIN	59	35
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097905	DD	On-Demand	Mild	BLA1_STEMA	57	34
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	ACE	29	40
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	OPRM1	37	43
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	OPRD1	32	43
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	MME	91	39
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	ANPEP	59	35
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	FCER2	53	33
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	PAPA1_CARPA	60	41
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	CYSP_TRYCR	46	34
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	CTSL	34	43
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	TIMP3	46	36
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	CAPNS1	62	33
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	HLA-DRB1	52	38
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	CAPN1	48	39
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	ACE2	56	37
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	FPR1	64	36
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	CTRB_BOVIN	59	35
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097906	DD	On-Demand	Mild	BLA1_STEMA	57	34
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	ACE	29	40
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	OPRM1	37	43
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	OPRD1	32	43
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	MME	91	39
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	ANPEP	59	35
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	FCER2	53	33
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	PAPA1_CARPA	60	41
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	CYSP_TRYCR	46	34
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	CTSL	34	43
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	TIMP3	46	36
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	CAPNS1	62	33
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	HLA-DRB1	52	38
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	CAPN1	48	39
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	ACE2	56	37
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	FPR1	64	36
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	CTRB_BOVIN	59	35
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1ccccc1)C(C)=O	ZINC000852097907	DD	On-Demand	Mild	BLA1_STEMA	57	34
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	ACE	29	40
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	OPRM1	37	43
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	OPRD1	32	43
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	MME	91	39
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	ANPEP	59	35
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	FCER2	53	33
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	PAPA1_CARPA	60	41
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	CYSP_TRYCR	46	34
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	CTSL	34	43
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	TIMP3	46	36
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	CAPNS1	62	33
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	HLA-DRB1	52	38
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	CAPN1	48	39
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	ACE2	56	37
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	FPR1	64	36
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	CTRB_BOVIN	59	35
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O	ZINC000852097908	DD	On-Demand	Mild	BLA1_STEMA	57	34
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000852097919	GD	On-Demand	Mild	ADORA2B	45	36
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000852097919	GD	On-Demand	Mild	TGM2	66	42
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000852097919	GD	On-Demand	Mild	F13A1	80	42
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000852097920	GD	On-Demand	Mild	ADORA2B	45	36
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000852097920	GD	On-Demand	Mild	TGM2	66	42
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000852097920	GD	On-Demand	Mild	F13A1	80	42
C#C[C@](C)(CC)NC[C@@H](O)COC(c1ccccc1)c1ccccc1	ZINC000852097925	EH	On-Demand	Mild	ADRB2	18	43
C#C[C@](C)(CC)NC[C@@H](O)COC(c1ccccc1)c1ccccc1	ZINC000852097925	EH	On-Demand	Mild	CASR	37	53
C#C[C@@](C)(CC)NC[C@@H](O)COC(c1ccccc1)c1ccccc1	ZINC000852097926	EH	On-Demand	Mild	ADRB2	18	43
C#C[C@@](C)(CC)NC[C@@H](O)COC(c1ccccc1)c1ccccc1	ZINC000852097926	EH	On-Demand	Mild	CASR	37	53
C#C[C@](C)(CC)NC[C@H](O)COC(c1ccccc1)c1ccccc1	ZINC000852097927	EH	On-Demand	Mild	ADRB2	18	43
C#C[C@](C)(CC)NC[C@H](O)COC(c1ccccc1)c1ccccc1	ZINC000852097927	EH	On-Demand	Mild	CASR	37	53
C#C[C@@](C)(CC)NC[C@H](O)COC(c1ccccc1)c1ccccc1	ZINC000852097928	EH	On-Demand	Mild	ADRB2	18	43
C#C[C@@](C)(CC)NC[C@H](O)COC(c1ccccc1)c1ccccc1	ZINC000852097928	EH	On-Demand	Mild	CASR	37	53
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1c(C)cccc1C(C)C	ZINC000852097932	DH	On-Demand	Mild	SOAT1	40	38
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1c(C)cccc1C(C)C	ZINC000852097933	DH	On-Demand	Mild	SOAT1	40	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C	ZINC000852097934	DH	On-Demand	Mild	SOAT1	40	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C	ZINC000852097935	DH	On-Demand	Mild	SOAT1	40	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1Cl	ZINC000852097940	CF	On-Demand	Mild	PSMB5	18	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1Cl	ZINC000852097941	CF	On-Demand	Mild	PSMB5	18	45
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1Cl	ZINC000852097942	CF	On-Demand	Mild	PSMB5	18	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1Cl	ZINC000852097943	CF	On-Demand	Mild	PSMB5	18	45
C#C[C@@](C)(CC)NCC(=O)NCCc1ccccc1OC	ZINC000852097946	CD	On-Demand	Mild	MTNR1A	40	38
C#C[C@](C)(CC)NCC(=O)NCCc1ccccc1OC	ZINC000852097947	CD	On-Demand	Mild	MTNR1A	40	38
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(C)C)c1	ZINC000852097994	CG	On-Demand	Mild	SLC1A2	40	34
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(C)C)c1	ZINC000852097995	CG	On-Demand	Mild	SLC1A2	40	34
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852098006	DF	On-Demand	Mild	EPHX2	50	39
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852098007	DF	On-Demand	Mild	EPHX2	50	39
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852098008	DF	On-Demand	Mild	EPHX2	50	39
C#C[C@](C)(CC)N[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852098009	DF	On-Demand	Mild	EPHX2	50	39
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC	ZINC000852098042	DH	On-Demand	Mild	KCNQ2	42	34
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC	ZINC000852098043	DH	On-Demand	Mild	KCNQ2	42	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC	ZINC000852098044	DH	On-Demand	Mild	KCNQ2	42	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC	ZINC000852098045	DH	On-Demand	Mild	KCNQ2	42	34
C#C[C@@](C)(CC)NCC(=O)Nc1ccsc1C(=O)OC	ZINC000852098066	CD	On-Demand	Mild	FAS	49	48
C#C[C@](C)(CC)NCC(=O)Nc1ccsc1C(=O)OC	ZINC000852098067	CD	On-Demand	Mild	FAS	49	48
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@H](C(=O)OCC)C1	ZINC000852098068	CD	On-Demand	Mild	FDFT1	18	40
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@@H](C(=O)OCC)C1	ZINC000852098069	CD	On-Demand	Mild	FDFT1	18	40
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H](C(=O)OCC)C1	ZINC000852098070	CD	On-Demand	Mild	FDFT1	18	40
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H](C(=O)OCC)C1	ZINC000852098071	CD	On-Demand	Mild	FDFT1	18	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(CN2CCOCC2)cc1	ZINC000852098096	ED	On-Demand	Mild	EPHX2	17	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(CN2CCOCC2)cc1	ZINC000852098097	ED	On-Demand	Mild	EPHX2	17	41
C#C[C@](C)(CC)NC[C@H](O)COCc1ccc(OC)cc1	ZINC000852098110	CD	On-Demand	Mild	ADRB2	24	44
C#C[C@](C)(CC)NC[C@@H](O)COCc1ccc(OC)cc1	ZINC000852098111	CD	On-Demand	Mild	ADRB2	24	44
C#C[C@@](C)(CC)NC[C@H](O)COCc1ccc(OC)cc1	ZINC000852098112	CD	On-Demand	Mild	ADRB2	24	44
C#C[C@@](C)(CC)NC[C@@H](O)COCc1ccc(OC)cc1	ZINC000852098113	CD	On-Demand	Mild	ADRB2	24	44
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	ACE	20	45
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	SSTR2	45	41
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	GHRHR	28	41
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MME	27	46
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	EDNRB	52	37
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	EDNRA	30	42
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	TACR1	34	50
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MC4R	48	40
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	CCKAR	127	43
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	CTSL	25	41
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	BRS3	28	46
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	NMBR	87	38
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MC3R	66	39
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MC5R	61	37
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MMP2	29	47
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MMP8	36	43
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MMP14	25	41
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	GRPR	112	39
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	ECE1	63	43
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	LNPEP	20	41
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	SSTR3	20	42
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MMP11	93	37
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	CCKBR	105	45
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	GHSR	72	49
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MMP9	27	45
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MC1R	91	40
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	MMP1	22	42
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	NPR	28	43
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	KISS1R	76	36
C#C[C@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098144	FD	On-Demand	Mild	ERAP2	46	41
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	ACE	20	45
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	SSTR2	45	41
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	GHRHR	28	41
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MME	27	46
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	EDNRB	52	37
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	EDNRA	30	42
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	TACR1	34	50
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MC4R	48	40
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	CCKAR	127	43
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	CTSL	25	41
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	BRS3	28	46
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	NMBR	87	38
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MC3R	66	39
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MC5R	61	37
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MMP2	29	47
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MMP8	36	43
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MMP14	25	41
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	GRPR	112	39
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	ECE1	63	43
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	LNPEP	20	41
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	SSTR3	20	42
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MMP11	93	37
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	CCKBR	105	45
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	GHSR	72	49
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MMP9	27	45
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MC1R	91	40
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	MMP1	22	42
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	NPR	28	43
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	KISS1R	76	36
C#C[C@@](C)(CC)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098145	FD	On-Demand	Mild	ERAP2	46	41
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	ACE	20	45
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	SSTR2	45	41
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	GHRHR	28	41
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MME	27	46
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	EDNRB	52	37
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	EDNRA	30	42
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	TACR1	34	50
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MC4R	48	40
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	CCKAR	127	43
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	CTSL	25	41
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	BRS3	28	46
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	NMBR	87	38
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MC3R	66	39
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MC5R	61	37
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MMP2	29	47
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MMP8	36	43
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MMP14	25	41
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	GRPR	112	39
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	ECE1	63	43
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	LNPEP	20	41
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	SSTR3	20	42
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MMP11	93	37
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	CCKBR	105	45
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	GHSR	72	49
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MMP9	27	45
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MC1R	91	40
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	MMP1	22	42
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	NPR	28	43
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	KISS1R	76	36
C#C[C@@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098146	FD	On-Demand	Mild	ERAP2	46	41
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	ACE	20	45
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	SSTR2	45	41
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	GHRHR	28	41
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MME	27	46
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	EDNRB	52	37
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	EDNRA	30	42
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	TACR1	34	50
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MC4R	48	40
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	CCKAR	127	43
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	CTSL	25	41
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	BRS3	28	46
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	NMBR	87	38
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MC3R	66	39
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MC5R	61	37
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MMP2	29	47
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MMP8	36	43
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MMP14	25	41
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	GRPR	112	39
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	ECE1	63	43
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	LNPEP	20	41
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	SSTR3	20	42
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MMP11	93	37
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	CCKBR	105	45
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	GHSR	72	49
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MMP9	27	45
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MC1R	91	40
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	MMP1	22	42
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	NPR	28	43
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	KISS1R	76	36
C#C[C@](C)(CC)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000852098147	FD	On-Demand	Mild	ERAP2	46	41
C#C[C@](C)(CC)NC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1	ZINC000852098148	DG	On-Demand	Mild	CASR	26	42
C#C[C@](C)(CC)NC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1	ZINC000852098149	DG	On-Demand	Mild	CASR	26	42
C#C[C@](C)(CC)NC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1	ZINC000852098150	DG	On-Demand	Mild	CASR	26	42
C#C[C@](C)(CC)NC[C@H](O)CO[C@H](C)c1ccc(Cl)cc1	ZINC000852098151	DG	On-Demand	Mild	CASR	26	42
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000852098162	DD	On-Demand	Mild	CA4	15	47
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000852098163	DD	On-Demand	Mild	CA4	15	47
C#C[C@@](C)(CC)NCC(=O)N(CC)Cc1ccccc1	ZINC000852098220	CE	On-Demand	Mild	LIMK2	19	41
C#C[C@](C)(CC)NCC(=O)N(CC)Cc1ccccc1	ZINC000852098221	CE	On-Demand	Mild	LIMK2	19	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852098228	CE	On-Demand	Mild	DPP8	23	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852098228	CE	On-Demand	Mild	NOD2	40	33
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852098229	CE	On-Demand	Mild	DPP8	23	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852098229	CE	On-Demand	Mild	NOD2	40	33
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852098230	CE	On-Demand	Mild	DPP8	23	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852098230	CE	On-Demand	Mild	NOD2	40	33
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852098231	CE	On-Demand	Mild	DPP8	23	44
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852098231	CE	On-Demand	Mild	NOD2	40	33
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	CA2	73	61
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	CA1	67	55
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	CA5B	45	38
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	CA4	78	61
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	CA5A	52	38
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	CA14	26	43
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	CA12	42	47
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	CA9	43	47
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	TTK	23	43
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	MTCA1	42	37
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098266	DC	On-Demand	Mild	P96878_MYCTU	51	37
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	CA2	73	61
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	CA1	67	55
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	CA5B	45	38
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	CA4	78	61
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	CA5A	52	38
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	CA14	26	43
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	CA12	42	47
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	CA9	43	47
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	TTK	23	43
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	MTCA1	42	37
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852098267	DC	On-Demand	Mild	P96878_MYCTU	51	37
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCCc2ccccc21	ZINC000852098282	CF	On-Demand	Mild	AVPR2	44	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCCc2ccccc21	ZINC000852098283	CF	On-Demand	Mild	AVPR2	44	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCCc2ccccc21	ZINC000852098284	CF	On-Demand	Mild	AVPR2	44	46
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCCc2ccccc21	ZINC000852098285	CF	On-Demand	Mild	AVPR2	44	46
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc2ccccc12	ZINC000852098300	CF	On-Demand	Mild	ADRB2	40	58
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc2ccccc12	ZINC000852098300	CF	On-Demand	Mild	ADRB1	49	44
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc2ccccc12	ZINC000852098300	CF	On-Demand	Mild	CASR	48	45
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc2ccccc12	ZINC000852098300	CF	On-Demand	Mild	CYP2D6	29	54
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc2ccccc12	ZINC000852098301	CF	On-Demand	Mild	ADRB2	40	58
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc2ccccc12	ZINC000852098301	CF	On-Demand	Mild	ADRB1	49	44
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc2ccccc12	ZINC000852098301	CF	On-Demand	Mild	CASR	48	45
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc2ccccc12	ZINC000852098301	CF	On-Demand	Mild	CYP2D6	29	54
C#C[C@](C)(CC)NC[C@H](O)COc1cccc2ccccc12	ZINC000852098302	CF	On-Demand	Mild	ADRB2	40	58
C#C[C@](C)(CC)NC[C@H](O)COc1cccc2ccccc12	ZINC000852098302	CF	On-Demand	Mild	ADRB1	49	44
C#C[C@](C)(CC)NC[C@H](O)COc1cccc2ccccc12	ZINC000852098302	CF	On-Demand	Mild	CASR	48	45
C#C[C@](C)(CC)NC[C@H](O)COc1cccc2ccccc12	ZINC000852098302	CF	On-Demand	Mild	CYP2D6	29	54
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc2ccccc12	ZINC000852098303	CF	On-Demand	Mild	ADRB2	40	58
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc2ccccc12	ZINC000852098303	CF	On-Demand	Mild	ADRB1	49	44
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc2ccccc12	ZINC000852098303	CF	On-Demand	Mild	CASR	48	45
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc2ccccc12	ZINC000852098303	CF	On-Demand	Mild	CYP2D6	29	54
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1C(C)C	ZINC000852098306	CF	On-Demand	Mild	ADRB2	41	50
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1C(C)C	ZINC000852098306	CF	On-Demand	Mild	ADRB1	48	42
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1C(C)C	ZINC000852098306	CF	On-Demand	Mild	CASR	45	42
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1C(C)C	ZINC000852098306	CF	On-Demand	Mild	CYP2D6	25	42
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1C(C)C	ZINC000852098307	CF	On-Demand	Mild	ADRB2	41	50
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1C(C)C	ZINC000852098307	CF	On-Demand	Mild	ADRB1	48	42
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1C(C)C	ZINC000852098307	CF	On-Demand	Mild	CASR	45	42
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1C(C)C	ZINC000852098307	CF	On-Demand	Mild	CYP2D6	25	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1C(C)C	ZINC000852098308	CF	On-Demand	Mild	ADRB2	41	50
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1C(C)C	ZINC000852098308	CF	On-Demand	Mild	ADRB1	48	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1C(C)C	ZINC000852098308	CF	On-Demand	Mild	CASR	45	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1C(C)C	ZINC000852098308	CF	On-Demand	Mild	CYP2D6	25	42
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1C(C)C	ZINC000852098309	CF	On-Demand	Mild	ADRB2	41	50
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1C(C)C	ZINC000852098309	CF	On-Demand	Mild	ADRB1	48	42
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1C(C)C	ZINC000852098309	CF	On-Demand	Mild	CASR	45	42
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1C(C)C	ZINC000852098309	CF	On-Demand	Mild	CYP2D6	25	42
C#C[C@](C)(CC)NCC(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000852098310	DE	On-Demand	Mild	MT-ND1	20	46
C#C[C@@](C)(CC)NCC(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000852098311	DE	On-Demand	Mild	MT-ND1	20	46
C#C[C@](C)(CC)NCC(=O)N[C@@H](C)CCCCC	ZINC000852098316	CE	On-Demand	Mild	NOD1	70	32
C#C[C@@](C)(CC)NCC(=O)N[C@H](C)CCCCC	ZINC000852098317	CE	On-Demand	Mild	NOD1	70	32
C#C[C@](C)(CC)NCC(=O)N[C@H](C)CCCCC	ZINC000852098318	CE	On-Demand	Mild	NOD1	70	32
C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)CCCCC	ZINC000852098319	CE	On-Demand	Mild	NOD1	70	32
C#C[C@@](C)(CC)NCc1csc(-c2ccc(OC)cc2)n1	ZINC000852098324	DH	On-Demand	Mild	AVPR1B	15	42
C#C[C@](C)(CC)NCc1csc(-c2ccc(OC)cc2)n1	ZINC000852098325	DH	On-Demand	Mild	AVPR1B	15	42
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OC)cc1	ZINC000852098352	CD	On-Demand	Mild	CA9	16	45
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OC)cc1	ZINC000852098352	CD	On-Demand	Mild	PROKR1	46	30
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OC)cc1	ZINC000852098353	CD	On-Demand	Mild	CA9	16	45
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OC)cc1	ZINC000852098353	CD	On-Demand	Mild	PROKR1	46	30
C#C[C@@](C)(CC)NCC(=O)N(CC)Cc1ccc(OC)c(OC)c1	ZINC000852098364	EE	On-Demand	Mild	MT-ND1	19	41
C#C[C@](C)(CC)NCC(=O)N(CC)Cc1ccc(OC)c(OC)c1	ZINC000852098365	EE	On-Demand	Mild	MT-ND1	19	41
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	MMP13	73	43
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	MMP2	40	43
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	MMP3	63	43
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	MMP8	37	43
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	MMP9	50	43
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	TGM2	62	41
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	MMP7	52	43
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	MMP1	64	43
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098386	GC	On-Demand	Mild	F13A1	76	41
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	MMP13	73	43
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	MMP2	40	43
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	MMP3	63	43
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	MMP8	37	43
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	MMP9	50	43
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	TGM2	62	41
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	MMP7	52	43
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	MMP1	64	43
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000852098387	GC	On-Demand	Mild	F13A1	76	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098422	CE	On-Demand	Mild	ANPEP	28	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098422	CE	On-Demand	Mild	CAPNS1	43	32
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098422	CE	On-Demand	Mild	CAPN2	56	37
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098422	CE	On-Demand	Mild	NPR	51	34
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098422	CE	On-Demand	Mild	AMP1_PLAFQ	46	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098422	CE	On-Demand	Mild	PDS	51	36
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098423	CE	On-Demand	Mild	ANPEP	28	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098423	CE	On-Demand	Mild	CAPNS1	43	32
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098423	CE	On-Demand	Mild	CAPN2	56	37
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098423	CE	On-Demand	Mild	NPR	51	34
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098423	CE	On-Demand	Mild	AMP1_PLAFQ	46	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098423	CE	On-Demand	Mild	PDS	51	36
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098424	CE	On-Demand	Mild	ANPEP	28	44
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098424	CE	On-Demand	Mild	CAPNS1	43	32
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098424	CE	On-Demand	Mild	CAPN2	56	37
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098424	CE	On-Demand	Mild	NPR	51	34
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098424	CE	On-Demand	Mild	AMP1_PLAFQ	46	44
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1	ZINC000852098424	CE	On-Demand	Mild	PDS	51	36
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098425	CE	On-Demand	Mild	ANPEP	28	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098425	CE	On-Demand	Mild	CAPNS1	43	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098425	CE	On-Demand	Mild	CAPN2	56	37
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098425	CE	On-Demand	Mild	NPR	51	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098425	CE	On-Demand	Mild	AMP1_PLAFQ	46	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1	ZINC000852098425	CE	On-Demand	Mild	PDS	51	36
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852098436	GD	On-Demand	Mild	LPL	43	39
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852098436	GD	On-Demand	Mild	EPHX2	15	52
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852098437	GD	On-Demand	Mild	LPL	43	39
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852098437	GD	On-Demand	Mild	EPHX2	15	52
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852098438	GD	On-Demand	Mild	LPL	43	39
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852098438	GD	On-Demand	Mild	EPHX2	15	52
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852098439	GD	On-Demand	Mild	LPL	43	39
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852098439	GD	On-Demand	Mild	EPHX2	15	52
C#C[C@@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852098440	EH	On-Demand	Mild	VIPR1	34	54
C#C[C@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852098441	EH	On-Demand	Mild	VIPR1	34	54
C#C[C@@](C)(CC)NCCOc1ccc(C)cc1	ZINC000852098446	BF	On-Demand	Mild	DRD4	15	44
C#C[C@](C)(CC)NCCOc1ccc(C)cc1	ZINC000852098447	BF	On-Demand	Mild	DRD4	15	44
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)N(CC)CC)c1	ZINC000852098456	EE	On-Demand	Mild	KCNK3	44	33
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)N(CC)CC)c1	ZINC000852098457	EE	On-Demand	Mild	KCNK3	44	33
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098462	DD	On-Demand	Mild	TRPV1	21	44
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098462	DD	On-Demand	Mild	PDE6A	41	32
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098462	DD	On-Demand	Mild	MT-ND1	26	48
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098462	DD	On-Demand	Mild	DRTS_TRYCR	48	34
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098463	DD	On-Demand	Mild	TRPV1	21	44
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098463	DD	On-Demand	Mild	PDE6A	41	32
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098463	DD	On-Demand	Mild	MT-ND1	26	48
C#C[C@](C)(CC)NCC(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098463	DD	On-Demand	Mild	DRTS_TRYCR	48	34
C#C[C@](C)(CC)NC[C@H](O)COCc1ccccc1OC	ZINC000852098464	CD	On-Demand	Mild	ADRB2	20	41
C#C[C@](C)(CC)NC[C@@H](O)COCc1ccccc1OC	ZINC000852098465	CD	On-Demand	Mild	ADRB2	20	41
C#C[C@@](C)(CC)NC[C@H](O)COCc1ccccc1OC	ZINC000852098466	CD	On-Demand	Mild	ADRB2	20	41
C#C[C@@](C)(CC)NC[C@@H](O)COCc1ccccc1OC	ZINC000852098467	CD	On-Demand	Mild	ADRB2	20	41
C#C[C@](C)(CC)NCc1csc(-c2ccc(OC)c(OC)c2)n1	ZINC000852098488	EH	On-Demand	Mild	DCK	24	41
C#C[C@@](C)(CC)NCc1csc(-c2ccc(OC)c(OC)c2)n1	ZINC000852098489	EH	On-Demand	Mild	DCK	24	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000852098504	DE	On-Demand	Mild	P2RY12	55	34
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000852098505	DE	On-Demand	Mild	P2RY12	55	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000852098506	DE	On-Demand	Mild	P2RY12	55	34
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000852098507	DE	On-Demand	Mild	P2RY12	55	34
C#C[C@@](C)(CC)NCC(=O)N(C)Cc1cccc(OC)c1	ZINC000852098524	CE	On-Demand	Mild	ROCK1	32	45
C#C[C@@](C)(CC)NCC(=O)N(C)Cc1cccc(OC)c1	ZINC000852098524	CE	On-Demand	Mild	ROCK2	42	45
C#C[C@@](C)(CC)NCC(=O)N(C)Cc1cccc(OC)c1	ZINC000852098524	CE	On-Demand	Mild	HSD17B2	25	46
C#C[C@](C)(CC)NCC(=O)N(C)Cc1cccc(OC)c1	ZINC000852098525	CE	On-Demand	Mild	ROCK1	32	45
C#C[C@](C)(CC)NCC(=O)N(C)Cc1cccc(OC)c1	ZINC000852098525	CE	On-Demand	Mild	ROCK2	42	45
C#C[C@](C)(CC)NCC(=O)N(C)Cc1cccc(OC)c1	ZINC000852098525	CE	On-Demand	Mild	HSD17B2	25	46
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098530	DC	On-Demand	Mild	CA2	38	41
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098530	DC	On-Demand	Mild	CA1	31	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098530	DC	On-Demand	Mild	CA4	44	41
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098530	DC	On-Demand	Mild	CA14	15	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098530	DC	On-Demand	Mild	CA12	15	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098531	DC	On-Demand	Mild	CA2	38	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098531	DC	On-Demand	Mild	CA1	31	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098531	DC	On-Demand	Mild	CA4	44	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098531	DC	On-Demand	Mild	CA14	15	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852098531	DC	On-Demand	Mild	CA12	15	40
C#C[C@](C)(CC)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852098538	CF	On-Demand	Mild	ACE	24	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852098538	CF	On-Demand	Mild	DRD4	21	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852098538	CF	On-Demand	Mild	TPP2	70	40
C#C[C@](C)(CC)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852098539	CF	On-Demand	Mild	ACE	24	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852098539	CF	On-Demand	Mild	DRD4	21	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852098539	CF	On-Demand	Mild	TPP2	70	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852098540	CF	On-Demand	Mild	ACE	24	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852098540	CF	On-Demand	Mild	DRD4	21	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852098540	CF	On-Demand	Mild	TPP2	70	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852098541	CF	On-Demand	Mild	ACE	24	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852098541	CF	On-Demand	Mild	DRD4	21	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852098541	CF	On-Demand	Mild	TPP2	70	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098560	DE	On-Demand	Mild	TRPV1	26	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098560	DE	On-Demand	Mild	MT-ND1	26	47
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098560	DE	On-Demand	Mild	DRTS_TRYCR	46	32
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098561	DE	On-Demand	Mild	TRPV1	26	42
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098561	DE	On-Demand	Mild	MT-ND1	26	47
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098561	DE	On-Demand	Mild	DRTS_TRYCR	46	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098562	DE	On-Demand	Mild	TRPV1	26	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098562	DE	On-Demand	Mild	MT-ND1	26	47
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098562	DE	On-Demand	Mild	DRTS_TRYCR	46	32
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098563	DE	On-Demand	Mild	TRPV1	26	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098563	DE	On-Demand	Mild	MT-ND1	26	47
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1	ZINC000852098563	DE	On-Demand	Mild	DRTS_TRYCR	46	32
C#C[C@@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852098566	ED	On-Demand	Mild	OPRD1	42	38
C#C[C@@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852098566	ED	On-Demand	Mild	PREP	17	43
C#C[C@@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852098566	ED	On-Demand	Mild	CFTR	63	35
C#C[C@@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852098566	ED	On-Demand	Mild	ADAM9	62	37
C#C[C@@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852098567	ED	On-Demand	Mild	OPRD1	42	38
C#C[C@@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852098567	ED	On-Demand	Mild	PREP	17	43
C#C[C@@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852098567	ED	On-Demand	Mild	CFTR	63	35
C#C[C@@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852098567	ED	On-Demand	Mild	ADAM9	62	37
C#C[C@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852098568	ED	On-Demand	Mild	OPRD1	42	38
C#C[C@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852098568	ED	On-Demand	Mild	PREP	17	43
C#C[C@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852098568	ED	On-Demand	Mild	CFTR	63	35
C#C[C@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852098568	ED	On-Demand	Mild	ADAM9	62	37
C#C[C@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852098569	ED	On-Demand	Mild	OPRD1	42	38
C#C[C@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852098569	ED	On-Demand	Mild	PREP	17	43
C#C[C@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852098569	ED	On-Demand	Mild	CFTR	63	35
C#C[C@](C)(CC)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852098569	ED	On-Demand	Mild	ADAM9	62	37
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccccc1	ZINC000852098574	CE	On-Demand	Mild	CAPN2	63	39
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccccc1	ZINC000852098574	CE	On-Demand	Mild	NPR	50	38
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccccc1	ZINC000852098574	CE	On-Demand	Mild	AMP1_PLAFQ	31	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccccc1	ZINC000852098574	CE	On-Demand	Mild	PSMB5	34	40
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccccc1	ZINC000852098575	CE	On-Demand	Mild	CAPN2	63	39
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccccc1	ZINC000852098575	CE	On-Demand	Mild	NPR	50	38
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccccc1	ZINC000852098575	CE	On-Demand	Mild	AMP1_PLAFQ	31	45
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccccc1	ZINC000852098575	CE	On-Demand	Mild	PSMB5	34	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852098576	CE	On-Demand	Mild	CAPN2	63	39
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852098576	CE	On-Demand	Mild	NPR	50	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852098576	CE	On-Demand	Mild	AMP1_PLAFQ	31	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852098576	CE	On-Demand	Mild	PSMB5	34	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852098577	CE	On-Demand	Mild	CAPN2	63	39
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852098577	CE	On-Demand	Mild	NPR	50	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852098577	CE	On-Demand	Mild	AMP1_PLAFQ	31	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852098577	CE	On-Demand	Mild	PSMB5	34	40
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098584	DD	On-Demand	Mild	ADRB2	33	49
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098584	DD	On-Demand	Mild	ADRB1	32	40
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098584	DD	On-Demand	Mild	CASR	43	40
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098584	DD	On-Demand	Mild	CYP2D6	20	40
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098584	DD	On-Demand	Mild	PDS	54	46
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098585	DD	On-Demand	Mild	ADRB2	33	49
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098585	DD	On-Demand	Mild	ADRB1	32	40
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098585	DD	On-Demand	Mild	CASR	43	40
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098585	DD	On-Demand	Mild	CYP2D6	20	40
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098585	DD	On-Demand	Mild	PDS	54	46
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098586	DD	On-Demand	Mild	ADRB2	33	49
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098586	DD	On-Demand	Mild	ADRB1	32	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098586	DD	On-Demand	Mild	CASR	43	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098586	DD	On-Demand	Mild	CYP2D6	20	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098586	DD	On-Demand	Mild	PDS	54	46
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098587	DD	On-Demand	Mild	ADRB2	33	49
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098587	DD	On-Demand	Mild	ADRB1	32	40
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098587	DD	On-Demand	Mild	CASR	43	40
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098587	DD	On-Demand	Mild	CYP2D6	20	40
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(=O)OCC)c1	ZINC000852098587	DD	On-Demand	Mild	PDS	54	46
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(/C=C/C)cc1OC	ZINC000852098594	DF	On-Demand	Mild	ADRB2	15	63
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(/C=C/C)cc1OC	ZINC000852098595	DF	On-Demand	Mild	ADRB2	15	63
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(/C=C\C)cc1OC	ZINC000852098596	DF	On-Demand	Mild	ADRB2	15	63
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(/C=C\C)cc1OC	ZINC000852098597	DF	On-Demand	Mild	ADRB2	15	63
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098598	CE	On-Demand	Mild	ADRB2	36	44
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098598	CE	On-Demand	Mild	ADRB1	38	40
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098598	CE	On-Demand	Mild	ADRB3	19	40
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098598	CE	On-Demand	Mild	CASR	43	37
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098598	CE	On-Demand	Mild	ABCB1	15	43
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098598	CE	On-Demand	Mild	PDS	65	37
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098599	CE	On-Demand	Mild	ADRB2	36	44
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098599	CE	On-Demand	Mild	ADRB1	38	40
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098599	CE	On-Demand	Mild	ADRB3	19	40
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098599	CE	On-Demand	Mild	CASR	43	37
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098599	CE	On-Demand	Mild	ABCB1	15	43
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098599	CE	On-Demand	Mild	PDS	65	37
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098600	CE	On-Demand	Mild	ADRB2	36	44
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098600	CE	On-Demand	Mild	ADRB1	38	40
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098600	CE	On-Demand	Mild	ADRB3	19	40
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098600	CE	On-Demand	Mild	CASR	43	37
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098600	CE	On-Demand	Mild	ABCB1	15	43
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(C)=O)c1	ZINC000852098600	CE	On-Demand	Mild	PDS	65	37
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098601	CE	On-Demand	Mild	ADRB2	36	44
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098601	CE	On-Demand	Mild	ADRB1	38	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098601	CE	On-Demand	Mild	ADRB3	19	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098601	CE	On-Demand	Mild	CASR	43	37
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098601	CE	On-Demand	Mild	ABCB1	15	43
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(C)=O)c1	ZINC000852098601	CE	On-Demand	Mild	PDS	65	37
C#C[C@](C)(CC)NCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1	ZINC000852098604	EE	On-Demand	Mild	PTAFR	34	41
C#C[C@@](C)(CC)NCC(=O)N1CCN([C@@H](C)c2ccccc2)CC1	ZINC000852098605	EE	On-Demand	Mild	PTAFR	34	41
C#C[C@@](C)(CC)NCC(=O)N1CCN([C@H](C)c2ccccc2)CC1	ZINC000852098606	EE	On-Demand	Mild	PTAFR	34	41
C#C[C@](C)(CC)NCC(=O)N1CCN([C@H](C)c2ccccc2)CC1	ZINC000852098607	EE	On-Demand	Mild	PTAFR	34	41
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852098610	ED	On-Demand	Mild	CA2	27	40
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852098610	ED	On-Demand	Mild	CA1	27	40
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852098610	ED	On-Demand	Mild	CA4	35	40
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852098611	ED	On-Demand	Mild	CA2	27	40
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852098611	ED	On-Demand	Mild	CA1	27	40
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852098611	ED	On-Demand	Mild	CA4	35	40
C#C[C@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000852098622	EG	On-Demand	Mild	VIPR1	35	55
C#C[C@@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000852098623	EG	On-Demand	Mild	VIPR1	35	55
C#C[C@](C)(CC)NCC(=O)N1CCCC[C@@H]1CC	ZINC000852098624	CE	On-Demand	Mild	DPP4	23	46
C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@H]1CC	ZINC000852098625	CE	On-Demand	Mild	DPP4	23	46
C#C[C@](C)(CC)NCC(=O)N1CCCC[C@H]1CC	ZINC000852098626	CE	On-Demand	Mild	DPP4	23	46
C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@@H]1CC	ZINC000852098627	CE	On-Demand	Mild	DPP4	23	46
C#C[C@](C)(CC)NC[C@H](O)COCc1cccc(OC)c1	ZINC000852098636	CD	On-Demand	Mild	CASR	31	45
C#C[C@](C)(CC)NC[C@@H](O)COCc1cccc(OC)c1	ZINC000852098637	CD	On-Demand	Mild	CASR	31	45
C#C[C@@](C)(CC)NC[C@H](O)COCc1cccc(OC)c1	ZINC000852098638	CD	On-Demand	Mild	CASR	31	45
C#C[C@@](C)(CC)NC[C@@H](O)COCc1cccc(OC)c1	ZINC000852098639	CD	On-Demand	Mild	CASR	31	45
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2cccc(C)c2)CC1	ZINC000852098666	EE	On-Demand	Mild	CACNA1G	25	43
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2cccc(C)c2)CC1	ZINC000852098667	EE	On-Demand	Mild	CACNA1G	25	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc21	ZINC000852098668	CE	On-Demand	Mild	AVPR2	29	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc21	ZINC000852098669	CE	On-Demand	Mild	AVPR2	29	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCc2ccccc21	ZINC000852098670	CE	On-Demand	Mild	AVPR2	29	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCc2ccccc21	ZINC000852098671	CE	On-Demand	Mild	AVPR2	29	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852098682	ED	On-Demand	Mild	PDGFRB	44	38
C#C[C@@](C)(CC)NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852098682	ED	On-Demand	Mild	EPHX2	26	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852098682	ED	On-Demand	Mild	TRPM8	15	41
C#C[C@](C)(CC)NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852098683	ED	On-Demand	Mild	PDGFRB	44	38
C#C[C@](C)(CC)NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852098683	ED	On-Demand	Mild	EPHX2	26	40
C#C[C@](C)(CC)NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852098683	ED	On-Demand	Mild	TRPM8	15	41
C#C[C@](C)(CC)NCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)NC(=O)N1	ZINC000852098718	GE	On-Demand	Mild	SLC27A4	76	36
C#C[C@@](C)(CC)NCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2)NC(=O)N1	ZINC000852098719	GE	On-Demand	Mild	SLC27A4	76	36
C#C[C@@](C)(CC)NCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)NC(=O)N1	ZINC000852098720	GE	On-Demand	Mild	SLC27A4	76	36
C#C[C@](C)(CC)NCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2)NC(=O)N1	ZINC000852098721	GE	On-Demand	Mild	SLC27A4	76	36
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC	ZINC000852098740	EF	On-Demand	Mild	FKBP1A	28	43
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC	ZINC000852098740	EF	On-Demand	Mild	DPP4	20	46
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC	ZINC000852098741	EF	On-Demand	Mild	FKBP1A	28	43
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC	ZINC000852098741	EF	On-Demand	Mild	DPP4	20	46
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC	ZINC000852098742	EF	On-Demand	Mild	FKBP1A	28	43
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC	ZINC000852098742	EF	On-Demand	Mild	DPP4	20	46
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC	ZINC000852098743	EF	On-Demand	Mild	FKBP1A	28	43
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC	ZINC000852098743	EF	On-Demand	Mild	DPP4	20	46
C#C[C@](C)(CC)NCC(=O)N1CCCC[C@@H]1C	ZINC000852098744	BD	On-Demand	Mild	DPP4	26	47
C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@@H]1C	ZINC000852098745	BD	On-Demand	Mild	DPP4	26	47
C#C[C@@](C)(CC)NCC(=O)N1CCCC[C@H]1C	ZINC000852098746	BD	On-Demand	Mild	DPP4	26	47
C#C[C@](C)(CC)NCC(=O)N1CCCC[C@H]1C	ZINC000852098747	BD	On-Demand	Mild	DPP4	26	47
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CC=C)cc1OC	ZINC000852098758	DF	On-Demand	Mild	CASR	40	35
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CC=C)cc1OC	ZINC000852098759	DF	On-Demand	Mild	CASR	40	35
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CC=C)cc1OC	ZINC000852098760	DF	On-Demand	Mild	CASR	40	35
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CC=C)cc1OC	ZINC000852098761	DF	On-Demand	Mild	CASR	40	35
C#C[C@@](C)(CC)NCC(=O)NCCOc1cccc(C)c1	ZINC000852098772	CD	On-Demand	Mild	MTNR1A	20	41
C#C[C@](C)(CC)NCC(=O)NCCOc1cccc(C)c1	ZINC000852098773	CD	On-Demand	Mild	MTNR1A	20	41
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098778	CD	On-Demand	Mild	ADRB2	43	44
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098778	CD	On-Demand	Mild	ADRB1	48	43
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098778	CD	On-Demand	Mild	ADRB3	31	42
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098778	CD	On-Demand	Mild	CASR	43	39
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098778	CD	On-Demand	Mild	CYP2D6	18	42
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098779	CD	On-Demand	Mild	ADRB2	43	44
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098779	CD	On-Demand	Mild	ADRB1	48	43
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098779	CD	On-Demand	Mild	ADRB3	31	42
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098779	CD	On-Demand	Mild	CASR	43	39
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098779	CD	On-Demand	Mild	CYP2D6	18	42
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098780	CD	On-Demand	Mild	ADRB2	43	44
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098780	CD	On-Demand	Mild	ADRB1	48	43
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098780	CD	On-Demand	Mild	ADRB3	31	42
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098780	CD	On-Demand	Mild	CASR	43	39
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CC#N)cc1	ZINC000852098780	CD	On-Demand	Mild	CYP2D6	18	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098781	CD	On-Demand	Mild	ADRB2	43	44
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098781	CD	On-Demand	Mild	ADRB1	48	43
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098781	CD	On-Demand	Mild	ADRB3	31	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098781	CD	On-Demand	Mild	CASR	43	39
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CC#N)cc1	ZINC000852098781	CD	On-Demand	Mild	CYP2D6	18	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C)c1	ZINC000852098786	CF	On-Demand	Mild	KCNK3	61	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C)c1	ZINC000852098786	CF	On-Demand	Mild	KCNK9	56	38
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C)c1	ZINC000852098787	CF	On-Demand	Mild	KCNK3	61	38
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C)c1	ZINC000852098787	CF	On-Demand	Mild	KCNK9	56	38
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C)c1	ZINC000852098788	CF	On-Demand	Mild	KCNK3	61	38
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C)c1	ZINC000852098788	CF	On-Demand	Mild	KCNK9	56	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C)c1	ZINC000852098789	CF	On-Demand	Mild	KCNK3	61	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C)c1	ZINC000852098789	CF	On-Demand	Mild	KCNK9	56	38
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1OC	ZINC000852098820	CE	On-Demand	Mild	CARM1	24	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1OC	ZINC000852098821	CE	On-Demand	Mild	CARM1	24	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1OC	ZINC000852098822	CE	On-Demand	Mild	CARM1	24	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1OC	ZINC000852098823	CE	On-Demand	Mild	CARM1	24	40
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(Cl)c1	ZINC000852098854	CE	On-Demand	Mild	PDS	45	39
C#C[C@](C)(CC)NCC(=O)NCc1cccc(Cl)c1	ZINC000852098855	CE	On-Demand	Mild	PDS	45	39
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1	ZINC000852098870	EE	On-Demand	Mild	PRNP	45	48
C#C[C@](C)(CC)NCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1	ZINC000852098871	EE	On-Demand	Mild	PRNP	45	48
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000852098876	GD	On-Demand	Mild	CA2	42	42
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000852098876	GD	On-Demand	Mild	CA1	39	42
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000852098876	GD	On-Demand	Mild	CA4	55	42
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000852098876	GD	On-Demand	Mild	CA5A	41	34
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000852098877	GD	On-Demand	Mild	CA2	42	42
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000852098877	GD	On-Demand	Mild	CA1	39	42
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000852098877	GD	On-Demand	Mild	CA4	55	42
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC	ZINC000852098877	GD	On-Demand	Mild	CA5A	41	34
C#C[C@@](C)(CC)NCC(=O)NCCCc1ccccc1	ZINC000852098902	CE	On-Demand	Mild	MTNR1A	23	40
C#C[C@@](C)(CC)NCC(=O)NCCCc1ccccc1	ZINC000852098902	CE	On-Demand	Mild	MTNR1B	25	40
C#C[C@@](C)(CC)NCC(=O)NCCCc1ccccc1	ZINC000852098902	CE	On-Demand	Mild	AMP1_PLAFQ	22	42
C#C[C@@](C)(CC)NCC(=O)NCCCc1ccccc1	ZINC000852098902	CE	On-Demand	Mild	CRTM	40	41
C#C[C@](C)(CC)NCC(=O)NCCCc1ccccc1	ZINC000852098903	CE	On-Demand	Mild	MTNR1A	23	40
C#C[C@](C)(CC)NCC(=O)NCCCc1ccccc1	ZINC000852098903	CE	On-Demand	Mild	MTNR1B	25	40
C#C[C@](C)(CC)NCC(=O)NCCCc1ccccc1	ZINC000852098903	CE	On-Demand	Mild	AMP1_PLAFQ	22	42
C#C[C@](C)(CC)NCC(=O)NCCCc1ccccc1	ZINC000852098903	CE	On-Demand	Mild	CRTM	40	41
C#C[C@@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098904	DH	On-Demand	Mild	TRPV1	20	41
C#C[C@@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098904	DH	On-Demand	Mild	PRNP	61	43
C#C[C@@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098904	DH	On-Demand	Mild	HDAC1	34	44
C#C[C@@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098904	DH	On-Demand	Mild	HDAC2	26	44
C#C[C@@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098904	DH	On-Demand	Mild	NOD2	44	37
C#C[C@@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098904	DH	On-Demand	Mild	NAMPT	21	42
C#C[C@@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098904	DH	On-Demand	Mild	KCNK3	73	38
C#C[C@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098905	DH	On-Demand	Mild	TRPV1	20	41
C#C[C@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098905	DH	On-Demand	Mild	PRNP	61	43
C#C[C@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098905	DH	On-Demand	Mild	HDAC1	34	44
C#C[C@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098905	DH	On-Demand	Mild	HDAC2	26	44
C#C[C@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098905	DH	On-Demand	Mild	NOD2	44	37
C#C[C@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098905	DH	On-Demand	Mild	NAMPT	21	42
C#C[C@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852098905	DH	On-Demand	Mild	KCNK3	73	38
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000852098908	ED	On-Demand	Mild	ADRB2	24	48
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000852098908	ED	On-Demand	Mild	CASR	41	35
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000852098909	ED	On-Demand	Mild	ADRB2	24	48
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000852098909	ED	On-Demand	Mild	CASR	41	35
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000852098910	ED	On-Demand	Mild	ADRB2	24	48
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000852098910	ED	On-Demand	Mild	CASR	41	35
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000852098911	ED	On-Demand	Mild	ADRB2	24	48
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(C(=O)OC)cc1OC	ZINC000852098911	ED	On-Demand	Mild	CASR	41	35
C#C[C@](C)(CC)NCC(=O)Nc1c(C)cccc1C(C)C	ZINC000852098916	CG	On-Demand	Mild	SOAT1	45	38
C#C[C@@](C)(CC)NCC(=O)Nc1c(C)cccc1C(C)C	ZINC000852098917	CG	On-Demand	Mild	SOAT1	45	38
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098918	CF	On-Demand	Mild	ADRB2	49	57
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098918	CF	On-Demand	Mild	ADRB1	36	40
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098918	CF	On-Demand	Mild	ADRB3	23	40
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098918	CF	On-Demand	Mild	CASR	50	46
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098918	CF	On-Demand	Mild	CYP2D6	26	48
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098919	CF	On-Demand	Mild	ADRB2	49	57
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098919	CF	On-Demand	Mild	ADRB1	36	40
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098919	CF	On-Demand	Mild	ADRB3	23	40
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098919	CF	On-Demand	Mild	CASR	50	46
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098919	CF	On-Demand	Mild	CYP2D6	26	48
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098920	CF	On-Demand	Mild	ADRB2	49	57
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098920	CF	On-Demand	Mild	ADRB1	36	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098920	CF	On-Demand	Mild	ADRB3	23	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098920	CF	On-Demand	Mild	CASR	50	46
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc2ccccc2c1	ZINC000852098920	CF	On-Demand	Mild	CYP2D6	26	48
C#C[C@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098921	CF	On-Demand	Mild	ADRB2	49	57
C#C[C@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098921	CF	On-Demand	Mild	ADRB1	36	40
C#C[C@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098921	CF	On-Demand	Mild	ADRB3	23	40
C#C[C@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098921	CF	On-Demand	Mild	CASR	50	46
C#C[C@](C)(CC)NC[C@H](O)COc1ccc2ccccc2c1	ZINC000852098921	CF	On-Demand	Mild	CYP2D6	26	48
C#C[C@@](C)(CC)NCC(=O)NCc1ccccc1C	ZINC000852098936	CE	On-Demand	Mild	P2RX7	19	43
C#C[C@](C)(CC)NCC(=O)NCc1ccccc1C	ZINC000852098937	CE	On-Demand	Mild	P2RX7	19	43
C#C[C@](C)(CC)N[C@@H]1CCOC1=O	ZINC000852099018	AC	On-Demand	Mild	LUXR	61	40
C#C[C@](C)(CC)N[C@@H]1CCOC1=O	ZINC000852099018	AC	On-Demand	Mild	TRAR	78	40
C#C[C@](C)(CC)N[C@@H]1CCOC1=O	ZINC000852099018	AC	On-Demand	Mild	LASR	61	40
C#C[C@@](C)(CC)N[C@@H]1CCOC1=O	ZINC000852099019	AC	On-Demand	Mild	LUXR	61	40
C#C[C@@](C)(CC)N[C@@H]1CCOC1=O	ZINC000852099019	AC	On-Demand	Mild	TRAR	78	40
C#C[C@@](C)(CC)N[C@@H]1CCOC1=O	ZINC000852099019	AC	On-Demand	Mild	LASR	61	40
C#C[C@](C)(CC)N[C@H]1CCOC1=O	ZINC000852099020	AC	On-Demand	Mild	LUXR	61	40
C#C[C@](C)(CC)N[C@H]1CCOC1=O	ZINC000852099020	AC	On-Demand	Mild	TRAR	78	40
C#C[C@](C)(CC)N[C@H]1CCOC1=O	ZINC000852099020	AC	On-Demand	Mild	LASR	61	40
C#C[C@@](C)(CC)N[C@H]1CCOC1=O	ZINC000852099021	AC	On-Demand	Mild	LUXR	61	40
C#C[C@@](C)(CC)N[C@H]1CCOC1=O	ZINC000852099021	AC	On-Demand	Mild	TRAR	78	40
C#C[C@@](C)(CC)N[C@H]1CCOC1=O	ZINC000852099021	AC	On-Demand	Mild	LASR	61	40
C#C[C@@](C)(CC)NCCOc1ccccc1C#N	ZINC000852099034	BE	On-Demand	Mild	ADRB1	49	33
C#C[C@@](C)(CC)NCCOc1ccccc1C#N	ZINC000852099034	BE	On-Demand	Mild	CASR	38	40
C#C[C@@](C)(CC)NCCOc1ccccc1C#N	ZINC000852099034	BE	On-Demand	Mild	CYP2D6	15	40
C#C[C@](C)(CC)NCCOc1ccccc1C#N	ZINC000852099035	BE	On-Demand	Mild	ADRB1	49	33
C#C[C@](C)(CC)NCCOc1ccccc1C#N	ZINC000852099035	BE	On-Demand	Mild	CASR	38	40
C#C[C@](C)(CC)NCCOc1ccccc1C#N	ZINC000852099035	BE	On-Demand	Mild	CYP2D6	15	40
C#C[C@@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099081	DG	On-Demand	Mild	DYRK1A	37	44
C#C[C@@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099081	DG	On-Demand	Mild	TGFBR1	17	43
C#C[C@@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099081	DG	On-Demand	Mild	CLK1	39	44
C#C[C@@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099081	DG	On-Demand	Mild	CLK2	47	44
C#C[C@@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099081	DG	On-Demand	Mild	CLK4	73	44
C#C[C@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099082	DG	On-Demand	Mild	DYRK1A	37	44
C#C[C@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099082	DG	On-Demand	Mild	TGFBR1	17	43
C#C[C@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099082	DG	On-Demand	Mild	CLK1	39	44
C#C[C@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099082	DG	On-Demand	Mild	CLK2	47	44
C#C[C@](C)(CC)NCc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852099082	DG	On-Demand	Mild	CLK4	73	44
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc2c(c1)OCO2	ZINC000852099087	CE	On-Demand	Mild	DYRK2	49	34
C#C[C@](C)(CC)NCCC(=O)Nc1ccc2c(c1)OCO2	ZINC000852099088	CE	On-Demand	Mild	DYRK2	49	34
C#C[C@@](C)(CC)NCC(=O)Nc1c(C(C)C)cccc1C(C)C	ZINC000852099105	DI	On-Demand	Mild	SOAT1	59	43
C#C[C@](C)(CC)NCC(=O)Nc1c(C(C)C)cccc1C(C)C	ZINC000852099106	DI	On-Demand	Mild	SOAT1	59	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccccc1C	ZINC000852099115	CF	On-Demand	Mild	CTSA	42	30
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccccc1C	ZINC000852099116	CF	On-Demand	Mild	CTSA	42	30
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C	ZINC000852099117	CF	On-Demand	Mild	CTSA	42	30
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1C	ZINC000852099118	CF	On-Demand	Mild	CTSA	42	30
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099137	DF	On-Demand	Mild	ADRB2	27	42
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099137	DF	On-Demand	Mild	ADRB1	24	40
C#C[C@](C)(CC)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099137	DF	On-Demand	Mild	PDS	57	45
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099138	DF	On-Demand	Mild	ADRB2	27	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099138	DF	On-Demand	Mild	ADRB1	24	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099138	DF	On-Demand	Mild	PDS	57	45
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099139	DF	On-Demand	Mild	ADRB2	27	42
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099139	DF	On-Demand	Mild	ADRB1	24	40
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099139	DF	On-Demand	Mild	PDS	57	45
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099140	DF	On-Demand	Mild	ADRB2	27	42
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099140	DF	On-Demand	Mild	ADRB1	24	40
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000852099140	DF	On-Demand	Mild	PDS	57	45
COc1ccc(N2CC[C@H](NC(=O)NC/C=C/c3ccccc3)C2)cc1	ZINC000852099151	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC/C=C/c3ccccc3)C2)cc1	ZINC000852099151	FG	On-Demand	Clean	MMP9	18	40
COc1ccc(N2CC[C@H](NC(=O)NC/C=C/c3ccccc3)C2)cc1	ZINC000852099151	FG	On-Demand	Clean	EPHX2	15	44
COc1ccc(N2CC[C@H](NC(=O)NC/C=C/c3ccccc3)C2)cc1	ZINC000852099151	FG	On-Demand	Clean	MCHR1	15	51
COc1ccc(N2CC[C@H](NC(=O)NC/C=C\c3ccccc3)C2)cc1	ZINC000852099152	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC/C=C\c3ccccc3)C2)cc1	ZINC000852099152	FG	On-Demand	Clean	MMP9	18	40
COc1ccc(N2CC[C@H](NC(=O)NC/C=C\c3ccccc3)C2)cc1	ZINC000852099152	FG	On-Demand	Clean	EPHX2	15	44
COc1ccc(N2CC[C@H](NC(=O)NC/C=C\c3ccccc3)C2)cc1	ZINC000852099152	FG	On-Demand	Clean	MCHR1	15	51
C#C[C@](C)(CC)N[C@@H](CC)C(=O)Nc1ccc(OC)cc1	ZINC000852099195	CF	On-Demand	Mild	HDAC8	16	41
C#C[C@](C)(CC)N[C@H](CC)C(=O)Nc1ccc(OC)cc1	ZINC000852099196	CF	On-Demand	Mild	HDAC8	16	41
C#C[C@@](C)(CC)N[C@@H](CC)C(=O)Nc1ccc(OC)cc1	ZINC000852099197	CF	On-Demand	Mild	HDAC8	16	41
C#C[C@@](C)(CC)N[C@H](CC)C(=O)Nc1ccc(OC)cc1	ZINC000852099198	CF	On-Demand	Mild	HDAC8	16	41
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000852099219	FE	On-Demand	Mild	FPR2	64	52
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000852099220	FE	On-Demand	Mild	FPR2	64	52
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000852099221	FE	On-Demand	Mild	FPR2	64	52
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000852099222	FE	On-Demand	Mild	FPR2	64	52
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099233	CG	On-Demand	Mild	KDR	16	40
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099233	CG	On-Demand	Mild	SLC1A1	21	44
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099233	CG	On-Demand	Mild	SLC1A3	20	44
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099233	CG	On-Demand	Mild	CCR2	26	40
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099233	CG	On-Demand	Mild	SLC1A2	35	44
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099233	CG	On-Demand	Mild	BTK	19	40
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099233	CG	On-Demand	Mild	IMDH_CRYPV	41	35
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099233	CG	On-Demand	Mild	KCNK3	29	44
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099234	CG	On-Demand	Mild	KDR	16	40
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099234	CG	On-Demand	Mild	SLC1A1	21	44
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099234	CG	On-Demand	Mild	SLC1A3	20	44
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099234	CG	On-Demand	Mild	CCR2	26	40
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099234	CG	On-Demand	Mild	SLC1A2	35	44
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099234	CG	On-Demand	Mild	BTK	19	40
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099234	CG	On-Demand	Mild	IMDH_CRYPV	41	35
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852099234	CG	On-Demand	Mild	KCNK3	29	44
C#C[C@@](C)(CC)NCCC(=O)N1CCc2ccccc21	ZINC000852099255	CE	On-Demand	Mild	AVPR2	29	41
C#C[C@](C)(CC)NCCC(=O)N1CCc2ccccc21	ZINC000852099256	CE	On-Demand	Mild	AVPR2	29	41
C#C[C@@](C)(CC)NCC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852099350	EE	On-Demand	Mild	DRD4	16	52
C#C[C@@](C)(CC)NCC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852099350	EE	On-Demand	Mild	SIGMAR1	19	48
C#C[C@@](C)(CC)NCC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852099350	EE	On-Demand	Mild	CCR2	17	48
C#C[C@](C)(CC)NCC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852099351	EE	On-Demand	Mild	DRD4	16	52
C#C[C@](C)(CC)NCC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852099351	EE	On-Demand	Mild	SIGMAR1	19	48
C#C[C@](C)(CC)NCC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852099351	EE	On-Demand	Mild	CCR2	17	48
C#C[C@@](C)(CC)NCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099352	CE	On-Demand	Mild	BDKRB1	22	40
C#C[C@@](C)(CC)NCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099352	CE	On-Demand	Mild	LUXR	64	35
C#C[C@@](C)(CC)NCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099352	CE	On-Demand	Mild	TRAR	75	35
C#C[C@@](C)(CC)NCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099352	CE	On-Demand	Mild	LASR	54	35
C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099353	CE	On-Demand	Mild	BDKRB1	22	40
C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099353	CE	On-Demand	Mild	LUXR	64	35
C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099353	CE	On-Demand	Mild	TRAR	75	35
C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099353	CE	On-Demand	Mild	LASR	54	35
C#C[C@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21	ZINC000852099354	CE	On-Demand	Mild	BDKRB1	22	40
C#C[C@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21	ZINC000852099354	CE	On-Demand	Mild	LUXR	64	35
C#C[C@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21	ZINC000852099354	CE	On-Demand	Mild	TRAR	75	35
C#C[C@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21	ZINC000852099354	CE	On-Demand	Mild	LASR	54	35
C#C[C@@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21	ZINC000852099355	CE	On-Demand	Mild	BDKRB1	22	40
C#C[C@@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21	ZINC000852099355	CE	On-Demand	Mild	LUXR	64	35
C#C[C@@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21	ZINC000852099355	CE	On-Demand	Mild	TRAR	75	35
C#C[C@@](C)(CC)NCC(=O)N[C@H]1CCOc2ccccc21	ZINC000852099355	CE	On-Demand	Mild	LASR	54	35
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	EDNRB	19	44
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	EDNRA	30	42
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	TACR1	20	48
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	CCKAR	83	48
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	MPO	41	37
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	BRS3	29	47
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	NMBR	85	36
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	GRPR	93	34
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	ECE1	44	38
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	MMP11	48	33
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	CCKBR	72	41
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	GHSR	49	40
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	ALOX15	17	45
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	AANAT	54	32
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099367	DF	On-Demand	Mild	KISS1R	46	31
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	EDNRB	19	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	EDNRA	30	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	TACR1	20	48
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	CCKAR	83	48
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	MPO	41	37
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	BRS3	29	47
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	NMBR	85	36
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	GRPR	93	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	ECE1	44	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	MMP11	48	33
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	CCKBR	72	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	GHSR	49	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	ALOX15	17	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	AANAT	54	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099368	DF	On-Demand	Mild	KISS1R	46	31
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	EDNRB	19	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	EDNRA	30	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	TACR1	20	48
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	CCKAR	83	48
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	MPO	41	37
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	BRS3	29	47
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	NMBR	85	36
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	GRPR	93	34
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	ECE1	44	38
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	MMP11	48	33
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	CCKBR	72	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	GHSR	49	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	ALOX15	17	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	AANAT	54	32
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099369	DF	On-Demand	Mild	KISS1R	46	31
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	EDNRB	19	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	EDNRA	30	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	TACR1	20	48
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	CCKAR	83	48
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	MPO	41	37
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	BRS3	29	47
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	NMBR	85	36
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	GRPR	93	34
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	ECE1	44	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	MMP11	48	33
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	CCKBR	72	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	GHSR	49	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	ALOX15	17	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	AANAT	54	32
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852099370	DF	On-Demand	Mild	KISS1R	46	31
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1Cl	ZINC000852099379	CG	On-Demand	Mild	CXCL8	46	37
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1Cl	ZINC000852099379	CG	On-Demand	Mild	KCNQ2	40	34
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1Cl	ZINC000852099380	CG	On-Demand	Mild	CXCL8	46	37
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1Cl	ZINC000852099380	CG	On-Demand	Mild	KCNQ2	40	34
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1Cl	ZINC000852099381	CG	On-Demand	Mild	CXCL8	46	37
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1Cl	ZINC000852099381	CG	On-Demand	Mild	KCNQ2	40	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1Cl	ZINC000852099382	CG	On-Demand	Mild	CXCL8	46	37
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1Cl	ZINC000852099382	CG	On-Demand	Mild	KCNQ2	40	34
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099397	DE	On-Demand	Mild	XIAP	39	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099397	DE	On-Demand	Mild	BIRC3	64	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099397	DE	On-Demand	Mild	BIRC2	39	40
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099397	DE	On-Demand	Mild	LUXR	41	32
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099397	DE	On-Demand	Mild	TRAR	40	32
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099397	DE	On-Demand	Mild	LASR	41	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099398	DE	On-Demand	Mild	XIAP	39	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099398	DE	On-Demand	Mild	BIRC3	64	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099398	DE	On-Demand	Mild	BIRC2	39	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099398	DE	On-Demand	Mild	LUXR	41	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099398	DE	On-Demand	Mild	TRAR	40	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099398	DE	On-Demand	Mild	LASR	41	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099399	DE	On-Demand	Mild	XIAP	39	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099399	DE	On-Demand	Mild	BIRC3	64	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099399	DE	On-Demand	Mild	BIRC2	39	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099399	DE	On-Demand	Mild	LUXR	41	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099399	DE	On-Demand	Mild	TRAR	40	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852099399	DE	On-Demand	Mild	LASR	41	32
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099400	DE	On-Demand	Mild	XIAP	39	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099400	DE	On-Demand	Mild	BIRC3	64	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099400	DE	On-Demand	Mild	BIRC2	39	40
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099400	DE	On-Demand	Mild	LUXR	41	32
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099400	DE	On-Demand	Mild	TRAR	40	32
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852099400	DE	On-Demand	Mild	LASR	41	32
C#C[C@@](C)(CC)NCCS(=O)(=O)c1cccc(OC)c1	ZINC000852099407	CD	On-Demand	Mild	MTNR1B	19	42
C#C[C@](C)(CC)NCCS(=O)(=O)c1cccc(OC)c1	ZINC000852099408	CD	On-Demand	Mild	MTNR1B	19	42
C#C[C@@](C)(CC)NCC(=O)OCc1ccccc1	ZINC000852099449	BE	On-Demand	Mild	CAPNS1	53	33
C#C[C@@](C)(CC)NCC(=O)OCc1ccccc1	ZINC000852099449	BE	On-Demand	Mild	CAPN2	56	34
C#C[C@@](C)(CC)NCC(=O)OCc1ccccc1	ZINC000852099449	BE	On-Demand	Mild	NPR	57	32
C#C[C@](C)(CC)NCC(=O)OCc1ccccc1	ZINC000852099450	BE	On-Demand	Mild	CAPNS1	53	33
C#C[C@](C)(CC)NCC(=O)OCc1ccccc1	ZINC000852099450	BE	On-Demand	Mild	CAPN2	56	34
C#C[C@](C)(CC)NCC(=O)OCc1ccccc1	ZINC000852099450	BE	On-Demand	Mild	NPR	57	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(F)cc1	ZINC000852099451	CE	On-Demand	Mild	AMP1_PLAFQ	17	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(F)cc1	ZINC000852099452	CE	On-Demand	Mild	AMP1_PLAFQ	17	40
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccc(F)cc1	ZINC000852099453	CE	On-Demand	Mild	AMP1_PLAFQ	17	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccc(F)cc1	ZINC000852099454	CE	On-Demand	Mild	AMP1_PLAFQ	17	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cc(Cl)ccc1OC	ZINC000852099479	DG	On-Demand	Mild	RBP4	17	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cc(Cl)ccc1OC	ZINC000852099480	DG	On-Demand	Mild	RBP4	17	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC	ZINC000852099481	DG	On-Demand	Mild	RBP4	17	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC	ZINC000852099482	DG	On-Demand	Mild	RBP4	17	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099483	GD	On-Demand	Mild	LPL	43	38
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099483	GD	On-Demand	Mild	TGM2	56	38
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099483	GD	On-Demand	Mild	F13A1	81	39
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099483	GD	On-Demand	Mild	MERTK	32	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099483	GD	On-Demand	Mild	NAMPT	27	44
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099484	GD	On-Demand	Mild	LPL	43	38
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099484	GD	On-Demand	Mild	TGM2	56	38
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099484	GD	On-Demand	Mild	F13A1	81	39
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099484	GD	On-Demand	Mild	MERTK	32	41
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099484	GD	On-Demand	Mild	NAMPT	27	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099485	GD	On-Demand	Mild	LPL	43	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099485	GD	On-Demand	Mild	TGM2	56	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099485	GD	On-Demand	Mild	F13A1	81	39
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099485	GD	On-Demand	Mild	MERTK	32	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099485	GD	On-Demand	Mild	NAMPT	27	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099486	GD	On-Demand	Mild	LPL	43	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099486	GD	On-Demand	Mild	TGM2	56	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099486	GD	On-Demand	Mild	F13A1	81	39
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099486	GD	On-Demand	Mild	MERTK	32	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099486	GD	On-Demand	Mild	NAMPT	27	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)c(OC)c1	ZINC000852099501	CE	On-Demand	Mild	ENPP1	85	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)c(OC)c1	ZINC000852099502	CE	On-Demand	Mild	ENPP1	85	41
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852099507	FC	On-Demand	Mild	TGM2	65	39
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852099507	FC	On-Demand	Mild	F13A1	87	42
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852099507	FC	On-Demand	Mild	SFRP1	40	37
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852099508	FC	On-Demand	Mild	TGM2	65	39
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852099508	FC	On-Demand	Mild	F13A1	87	42
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852099508	FC	On-Demand	Mild	SFRP1	40	37
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099515	GF	On-Demand	Mild	LPL	47	38
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099515	GF	On-Demand	Mild	EPHX2	19	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099515	GF	On-Demand	Mild	TGM2	67	46
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099515	GF	On-Demand	Mild	F13A1	95	48
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099515	GF	On-Demand	Mild	NAMPT	32	47
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099516	GF	On-Demand	Mild	LPL	47	38
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099516	GF	On-Demand	Mild	EPHX2	19	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099516	GF	On-Demand	Mild	TGM2	67	46
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099516	GF	On-Demand	Mild	F13A1	95	48
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000852099516	GF	On-Demand	Mild	NAMPT	32	47
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852099521	DF	On-Demand	Mild	IMDH_CRYPV	24	45
C#C[C@](C)(CC)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852099522	DF	On-Demand	Mild	IMDH_CRYPV	24	45
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1	ZINC000852099525	EF	On-Demand	Mild	DPP4	21	49
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1	ZINC000852099526	EF	On-Demand	Mild	DPP4	21	49
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1	ZINC000852099527	EF	On-Demand	Mild	DPP4	21	49
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1	ZINC000852099528	EF	On-Demand	Mild	DPP4	21	49
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099533	GE	On-Demand	Mild	TGM2	42	36
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099533	GE	On-Demand	Mild	ST14	40	35
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099533	GE	On-Demand	Mild	F13A1	64	40
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099533	GE	On-Demand	Mild	AKR1C3	42	38
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099534	GE	On-Demand	Mild	TGM2	42	36
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099534	GE	On-Demand	Mild	ST14	40	35
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099534	GE	On-Demand	Mild	F13A1	64	40
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099534	GE	On-Demand	Mild	AKR1C3	42	38
C#C[C@@](C)(CC)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000852099539	ED	On-Demand	Mild	NOD2	19	42
C#C[C@@](C)(CC)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000852099540	ED	On-Demand	Mild	NOD2	19	42
C#C[C@](C)(CC)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C	ZINC000852099541	ED	On-Demand	Mild	NOD2	19	42
C#C[C@](C)(CC)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C	ZINC000852099542	ED	On-Demand	Mild	NOD2	19	42
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852099545	DD	On-Demand	Mild	CA2	18	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852099545	DD	On-Demand	Mild	CA1	19	42
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852099545	DD	On-Demand	Mild	CA4	19	44
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852099546	DD	On-Demand	Mild	CA2	18	44
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852099546	DD	On-Demand	Mild	CA1	19	42
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852099546	DD	On-Demand	Mild	CA4	19	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852099547	CG	On-Demand	Mild	EPHX2	21	46
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852099548	CG	On-Demand	Mild	EPHX2	21	46
C#C[C@](C)(CC)NCC(=O)N1CCN(c2ccccc2F)CC1	ZINC000852099551	DD	On-Demand	Mild	KCNQ2	63	39
C#C[C@](C)(CC)NCC(=O)N1CCN(c2ccccc2F)CC1	ZINC000852099551	DD	On-Demand	Mild	NPY2R	94	38
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ccccc2F)CC1	ZINC000852099552	DD	On-Demand	Mild	KCNQ2	63	39
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ccccc2F)CC1	ZINC000852099552	DD	On-Demand	Mild	NPY2R	94	38
C#C[C@@](C)(CC)NCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852099563	CF	On-Demand	Mild	BDKRB1	50	39
C#C[C@@](C)(CC)NCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852099563	CF	On-Demand	Mild	XIAP	21	41
C#C[C@@](C)(CC)NCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852099563	CF	On-Demand	Mild	BIRC2	49	38
C#C[C@](C)(CC)NCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852099564	CF	On-Demand	Mild	BDKRB1	50	39
C#C[C@](C)(CC)NCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852099564	CF	On-Demand	Mild	XIAP	21	41
C#C[C@](C)(CC)NCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852099564	CF	On-Demand	Mild	BIRC2	49	38
C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852099565	CF	On-Demand	Mild	BDKRB1	50	39
C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852099565	CF	On-Demand	Mild	XIAP	21	41
C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852099565	CF	On-Demand	Mild	BIRC2	49	38
C#C[C@@](C)(CC)NCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852099566	CF	On-Demand	Mild	BDKRB1	50	39
C#C[C@@](C)(CC)NCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852099566	CF	On-Demand	Mild	XIAP	21	41
C#C[C@@](C)(CC)NCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852099566	CF	On-Demand	Mild	BIRC2	49	38
C#C[C@@](C)(CC)NCCC(=O)NCc1ccccc1Cl	ZINC000852099631	CF	On-Demand	Mild	P2RX7	36	43
C#C[C@@](C)(CC)NCCC(=O)NCc1ccccc1Cl	ZINC000852099631	CF	On-Demand	Mild	PSMB5	17	40
C#C[C@](C)(CC)NCCC(=O)NCc1ccccc1Cl	ZINC000852099632	CF	On-Demand	Mild	P2RX7	36	43
C#C[C@](C)(CC)NCCC(=O)NCc1ccccc1Cl	ZINC000852099632	CF	On-Demand	Mild	PSMB5	17	40
C#C[C@@](C)(CC)NCC(=O)NCC1(c2ccccc2)CCOCC1	ZINC000852099635	EE	On-Demand	Mild	KCNA3	41	38
C#C[C@@](C)(CC)NCC(=O)NCC1(c2ccccc2)CCOCC1	ZINC000852099635	EE	On-Demand	Mild	ICMT	68	38
C#C[C@](C)(CC)NCC(=O)NCC1(c2ccccc2)CCOCC1	ZINC000852099636	EE	On-Demand	Mild	KCNA3	41	38
C#C[C@](C)(CC)NCC(=O)NCC1(c2ccccc2)CCOCC1	ZINC000852099636	EE	On-Demand	Mild	ICMT	68	38
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099651	DD	On-Demand	Mild	ADRB2	53	59
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099651	DD	On-Demand	Mild	ADRB1	72	59
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099651	DD	On-Demand	Mild	ADRB3	44	51
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099652	DD	On-Demand	Mild	ADRB2	53	59
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099652	DD	On-Demand	Mild	ADRB1	72	59
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099652	DD	On-Demand	Mild	ADRB3	44	51
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099653	DD	On-Demand	Mild	ADRB2	53	59
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099653	DD	On-Demand	Mild	ADRB1	72	59
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099653	DD	On-Demand	Mild	ADRB3	44	51
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099654	DD	On-Demand	Mild	ADRB2	53	59
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099654	DD	On-Demand	Mild	ADRB1	72	59
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(NC(C)=O)cc1	ZINC000852099654	DD	On-Demand	Mild	ADRB3	44	51
C#C[C@@](C)(CC)NCCOc1cccc(C(=O)OC)c1	ZINC000852099655	CE	On-Demand	Mild	MTNR1A	15	41
C#C[C@@](C)(CC)NCCOc1cccc(C(=O)OC)c1	ZINC000852099655	CE	On-Demand	Mild	MTNR1B	15	41
C#C[C@@](C)(CC)NCCOc1cccc(C(=O)OC)c1	ZINC000852099655	CE	On-Demand	Mild	ACR	15	41
C#C[C@](C)(CC)NCCOc1cccc(C(=O)OC)c1	ZINC000852099656	CE	On-Demand	Mild	MTNR1A	15	41
C#C[C@](C)(CC)NCCOc1cccc(C(=O)OC)c1	ZINC000852099656	CE	On-Demand	Mild	MTNR1B	15	41
C#C[C@](C)(CC)NCCOc1cccc(C(=O)OC)c1	ZINC000852099656	CE	On-Demand	Mild	ACR	15	41
COc1cccc(C[C@@H](C)NC(=O)NCC2SCCS2)c1	ZINC000852099666	EF	On-Demand	Anodyne	MTNR1A	43	41
COc1cccc(C[C@@H](C)NC(=O)NCC2SCCS2)c1	ZINC000852099666	EF	On-Demand	Anodyne	MTNR1B	43	41
COc1cccc(C[C@H](C)NC(=O)NCC2SCCS2)c1	ZINC000852099667	EF	On-Demand	Anodyne	MTNR1A	43	41
COc1cccc(C[C@H](C)NC(=O)NCC2SCCS2)c1	ZINC000852099667	EF	On-Demand	Anodyne	MTNR1B	43	41
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000852099672	ED	On-Demand	Mild	MAPK14	20	42
C#C[C@](C)(CC)NCC(=O)NCc1cccc(C(=O)NC2CC2)c1	ZINC000852099673	ED	On-Demand	Mild	MAPK14	20	42
C#C[C@](C)(CC)NCC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	ZINC000852099678	GD	On-Demand	Mild	AKR1B1	40	36
C#C[C@@](C)(CC)NCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	ZINC000852099679	GD	On-Demand	Mild	AKR1B1	40	36
C#C[C@](C)(CC)NCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	ZINC000852099680	GD	On-Demand	Mild	AKR1B1	40	36
C#C[C@@](C)(CC)NCC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	ZINC000852099681	GD	On-Demand	Mild	AKR1B1	40	36
C#C[C@](C)(CC)NCC(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852099682	CF	On-Demand	Mild	KCNQ2	19	45
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852099683	CF	On-Demand	Mild	KCNQ2	19	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA2	105	59
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA1	94	56
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA7	46	59
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA5B	26	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA4	77	53
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA5A	30	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA14	48	59
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA12	66	55
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CA9	73	56
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	CYNT	46	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	MTCA1	53	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099694	DD	On-Demand	Mild	P96878_MYCTU	65	46
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA2	105	59
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA1	94	56
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA7	46	59
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA5B	26	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA4	77	53
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA5A	30	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA14	48	59
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA12	66	55
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CA9	73	56
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	CYNT	46	45
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	MTCA1	53	42
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099696	DD	On-Demand	Mild	P96878_MYCTU	65	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA2	105	59
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA1	94	56
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA7	46	59
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA5B	26	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA4	77	53
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA5A	30	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA14	48	59
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA12	66	55
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CA9	73	56
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	CYNT	46	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	MTCA1	53	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099697	DD	On-Demand	Mild	P96878_MYCTU	65	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA2	105	59
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA1	94	56
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA7	46	59
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA5B	26	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA4	77	53
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA5A	30	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA14	48	59
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA12	66	55
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CA9	73	56
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	CYNT	46	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	MTCA1	53	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852099698	DD	On-Demand	Mild	P96878_MYCTU	65	46
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099715	FD	On-Demand	Mild	LPL	45	37
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099715	FD	On-Demand	Mild	EPHX2	19	43
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099715	FD	On-Demand	Mild	TGM2	43	39
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099715	FD	On-Demand	Mild	F13A1	66	41
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099715	FD	On-Demand	Mild	AKR1C3	47	39
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099718	FD	On-Demand	Mild	LPL	45	37
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099718	FD	On-Demand	Mild	EPHX2	19	43
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099718	FD	On-Demand	Mild	TGM2	43	39
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099718	FD	On-Demand	Mild	F13A1	66	41
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852099718	FD	On-Demand	Mild	AKR1C3	47	39
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852099725	DG	On-Demand	Mild	LCK	21	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852099725	DG	On-Demand	Mild	CSNK1D	46	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852099726	DG	On-Demand	Mild	LCK	21	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852099726	DG	On-Demand	Mild	CSNK1D	46	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852099727	DG	On-Demand	Mild	LCK	21	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852099727	DG	On-Demand	Mild	CSNK1D	46	44
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852099728	DG	On-Demand	Mild	LCK	21	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852099728	DG	On-Demand	Mild	CSNK1D	46	44
C#C[C@](C)(CC)NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1	ZINC000852099732	FH	On-Demand	Mild	TRPM8	27	46
C#C[C@](C)(CC)NCC(=O)N1CCc2sccc2[C@H]1c1ccccc1	ZINC000852099735	FH	On-Demand	Mild	TRPM8	27	46
C#C[C@@](C)(CC)NCC(=O)N1CCc2sccc2[C@H]1c1ccccc1	ZINC000852099737	FH	On-Demand	Mild	TRPM8	27	46
C#C[C@@](C)(CC)NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1	ZINC000852099741	FH	On-Demand	Mild	TRPM8	27	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852099744	EG	On-Demand	Mild	KCNQ2	43	51
C#C[C@@](C)(CC)NCC(=O)Nc1c(C)cccc1Cl	ZINC000852099745	CF	On-Demand	Mild	LCK	34	42
COc1cccc(C[C@@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852099746	EG	On-Demand	Reactive	F10	47	31
COc1cccc(C[C@@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852099746	EG	On-Demand	Reactive	MTNR1A	22	40
COc1cccc(C[C@@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852099746	EG	On-Demand	Reactive	MTNR1B	26	40
COc1cccc(C[C@@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852099746	EG	On-Demand	Reactive	ROCK2	41	38
C#C[C@](C)(CC)NCC(=O)Nc1c(C)cccc1Cl	ZINC000852099747	CF	On-Demand	Mild	LCK	34	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852099748	EG	On-Demand	Mild	KCNQ2	43	51
COc1cccc(C[C@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852099750	EG	On-Demand	Reactive	F10	47	31
COc1cccc(C[C@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852099750	EG	On-Demand	Reactive	MTNR1A	22	40
COc1cccc(C[C@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852099750	EG	On-Demand	Reactive	MTNR1B	26	40
COc1cccc(C[C@H](C)NC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852099750	EG	On-Demand	Reactive	ROCK2	41	38
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852099751	EG	On-Demand	Mild	KCNQ2	43	51
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852099754	EG	On-Demand	Mild	KCNQ2	43	51
COc1cccc(C[C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099766	GG	On-Demand	Anodyne	ADRB1	16	41
COc1cccc(C[C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099766	GG	On-Demand	Anodyne	MTNR1A	34	41
COc1cccc(C[C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099766	GG	On-Demand	Anodyne	MTNR1B	33	41
COc1cccc(C[C@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099766	GG	On-Demand	Anodyne	BACE1	19	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852099767	DG	On-Demand	Mild	KCNQ2	46	52
COc1cccc(C[C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099769	GG	On-Demand	Anodyne	ADRB1	16	41
COc1cccc(C[C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099769	GG	On-Demand	Anodyne	MTNR1A	34	41
COc1cccc(C[C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099769	GG	On-Demand	Anodyne	MTNR1B	33	41
COc1cccc(C[C@@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099769	GG	On-Demand	Anodyne	BACE1	19	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852099770	DG	On-Demand	Mild	KCNQ2	46	52
COc1cccc(C[C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099772	GG	On-Demand	Anodyne	ADRB1	16	41
COc1cccc(C[C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099772	GG	On-Demand	Anodyne	MTNR1A	34	41
COc1cccc(C[C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099772	GG	On-Demand	Anodyne	MTNR1B	33	41
COc1cccc(C[C@H](C)NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099772	GG	On-Demand	Anodyne	BACE1	19	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852099773	DG	On-Demand	Mild	KCNQ2	46	52
COc1cccc(C[C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099775	GG	On-Demand	Anodyne	ADRB1	16	41
COc1cccc(C[C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099775	GG	On-Demand	Anodyne	MTNR1A	34	41
COc1cccc(C[C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099775	GG	On-Demand	Anodyne	MTNR1B	33	41
COc1cccc(C[C@@H](C)NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852099775	GG	On-Demand	Anodyne	BACE1	19	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852099776	DG	On-Demand	Mild	KCNQ2	46	52
COc1cccc(C[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852099778	GD	On-Demand	Anodyne	HRH2	18	40
COc1cccc(C[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852099778	GD	On-Demand	Anodyne	MTNR1A	43	42
COc1cccc(C[C@@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852099778	GD	On-Demand	Anodyne	MTNR1B	40	42
C#C[C@@](C)(CC)NCc1nc(-c2ccc3c(c2)OCO3)no1	ZINC000852099780	CE	On-Demand	Mild	CLK4	60	37
COc1cccc(C[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852099781	GD	On-Demand	Anodyne	HRH2	18	40
COc1cccc(C[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852099781	GD	On-Demand	Anodyne	MTNR1A	43	42
COc1cccc(C[C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852099781	GD	On-Demand	Anodyne	MTNR1B	40	42
C#C[C@](C)(CC)NCc1nc(-c2ccc3c(c2)OCO3)no1	ZINC000852099782	CE	On-Demand	Mild	CLK4	60	37
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C(=O)OC)cc1	ZINC000852099790	CD	On-Demand	Mild	ACR	63	37
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1	ZINC000852099792	DG	On-Demand	Mild	ACE	21	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C(=O)OC)cc1	ZINC000852099793	CD	On-Demand	Mild	ACR	63	37
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1	ZINC000852099795	DG	On-Demand	Mild	ACE	21	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1	ZINC000852099798	DG	On-Demand	Mild	ACE	21	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCC[C@H]1c1cccs1	ZINC000852099800	DG	On-Demand	Mild	ACE	21	41
O=C(NCc1ccccc1CN1CCCCCC1)NCC1SCCS1	ZINC000852099815	GH	On-Demand	Anodyne	HRH2	22	40
C#C[C@](C)(CC)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000852099816	ED	On-Demand	Mild	PTAFR	37	45
C#C[C@](C)(CC)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000852099818	ED	On-Demand	Mild	PTAFR	37	45
C#C[C@@](C)(CC)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000852099820	ED	On-Demand	Mild	PTAFR	37	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099821	GG	On-Demand	Clean	DRD4	43	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099821	GG	On-Demand	Clean	SIGMAR1	17	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099821	GG	On-Demand	Clean	MTNR1A	41	54
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099821	GG	On-Demand	Clean	MTNR1B	40	54
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099821	GG	On-Demand	Clean	EPHX2	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099821	GG	On-Demand	Clean	MCHR1	24	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099821	GG	On-Demand	Clean	BIRC2	21	43
C#C[C@@](C)(CC)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000852099823	ED	On-Demand	Mild	PTAFR	37	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099831	GG	On-Demand	Clean	DRD4	43	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099831	GG	On-Demand	Clean	SIGMAR1	17	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099831	GG	On-Demand	Clean	MTNR1A	41	54
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099831	GG	On-Demand	Clean	MTNR1B	40	54
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099831	GG	On-Demand	Clean	EPHX2	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099831	GG	On-Demand	Clean	MCHR1	24	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)Cc3cccc(OC)c3)C2)cc1	ZINC000852099831	GG	On-Demand	Clean	BIRC2	21	43
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	ZINC000852099851	FE	On-Demand	Mild	CCR8	98	45
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	ZINC000852099854	FE	On-Demand	Mild	CCR8	98	45
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1	ZINC000852099863	EG	On-Demand	Mild	CPT1A	74	35
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1	ZINC000852099863	EG	On-Demand	Mild	DPP4	27	41
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1	ZINC000852099867	EG	On-Demand	Mild	CPT1A	74	35
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@H]1c1ccc(OCC)cc1	ZINC000852099867	EG	On-Demand	Mild	DPP4	27	41
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1nccs1	ZINC000852099869	CD	On-Demand	Mild	MAP1	117	41
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1	ZINC000852099870	EG	On-Demand	Mild	CPT1A	74	35
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1	ZINC000852099870	EG	On-Demand	Mild	DPP4	27	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1nccs1	ZINC000852099872	CD	On-Demand	Mild	MAP1	117	41
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1	ZINC000852099873	EG	On-Demand	Mild	CPT1A	74	35
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1	ZINC000852099873	EG	On-Demand	Mild	DPP4	27	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1nccs1	ZINC000852099875	CD	On-Demand	Mild	MAP1	117	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1nccs1	ZINC000852099878	CD	On-Demand	Mild	MAP1	117	41
C#C[C@@](C)(CC)NCCC(=O)Nc1ccccc1	ZINC000852099891	BE	On-Demand	Mild	LTA4H	25	41
C#C[C@@](C)(CC)NCCC(=O)Nc1ccccc1	ZINC000852099891	BE	On-Demand	Mild	HDAC10	15	42
C#C[C@](C)(CC)NCCC(=O)Nc1ccccc1	ZINC000852099892	BE	On-Demand	Mild	LTA4H	25	41
C#C[C@](C)(CC)NCCC(=O)Nc1ccccc1	ZINC000852099892	BE	On-Demand	Mild	HDAC10	15	42
C#C[C@@](C)(CC)NCCOc1cccc(OC)c1	ZINC000852099900	BE	On-Demand	Mild	MTNR1A	19	49
C#C[C@@](C)(CC)NCCOc1cccc(OC)c1	ZINC000852099900	BE	On-Demand	Mild	MTNR1B	23	49
C#C[C@](C)(CC)NCCOc1cccc(OC)c1	ZINC000852099902	BE	On-Demand	Mild	MTNR1A	19	49
C#C[C@](C)(CC)NCCOc1cccc(OC)c1	ZINC000852099902	BE	On-Demand	Mild	MTNR1B	23	49
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099915	CE	On-Demand	Mild	ROCK1	36	40
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099915	CE	On-Demand	Mild	MTNR1A	36	41
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099915	CE	On-Demand	Mild	MTNR1B	36	41
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099915	CE	On-Demand	Mild	ROCK2	43	40
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099915	CE	On-Demand	Mild	AMP1_PLAFQ	20	41
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099915	CE	On-Demand	Mild	CARM1	43	41
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099915	CE	On-Demand	Mild	PDS	61	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099916	CE	On-Demand	Mild	ROCK1	36	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099916	CE	On-Demand	Mild	MTNR1A	36	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099916	CE	On-Demand	Mild	MTNR1B	36	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099916	CE	On-Demand	Mild	ROCK2	43	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099916	CE	On-Demand	Mild	AMP1_PLAFQ	20	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099916	CE	On-Demand	Mild	CARM1	43	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099916	CE	On-Demand	Mild	PDS	61	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099917	CE	On-Demand	Mild	ROCK1	36	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099917	CE	On-Demand	Mild	MTNR1A	36	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099917	CE	On-Demand	Mild	MTNR1B	36	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099917	CE	On-Demand	Mild	ROCK2	43	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099917	CE	On-Demand	Mild	AMP1_PLAFQ	20	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099917	CE	On-Demand	Mild	CARM1	43	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099917	CE	On-Demand	Mild	PDS	61	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099918	CE	On-Demand	Mild	ROCK1	36	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099918	CE	On-Demand	Mild	MTNR1A	36	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099918	CE	On-Demand	Mild	MTNR1B	36	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099918	CE	On-Demand	Mild	ROCK2	43	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099918	CE	On-Demand	Mild	AMP1_PLAFQ	20	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099918	CE	On-Demand	Mild	CARM1	43	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852099918	CE	On-Demand	Mild	PDS	61	41
C#C[C@@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1OC	ZINC000852099921	CF	On-Demand	Mild	CPT1A	43	36
C#C[C@@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1OC	ZINC000852099921	CF	On-Demand	Mild	RBP4	18	41
C#C[C@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1OC	ZINC000852099923	CF	On-Demand	Mild	CPT1A	43	36
C#C[C@](C)(CC)NCC(=O)Nc1cc(Cl)ccc1OC	ZINC000852099923	CF	On-Demand	Mild	RBP4	18	41
C#C[C@](C)(CC)NC[C@H](O)COc1ccc2c(c1)OCO2	ZINC000852099925	CD	On-Demand	Mild	ADRB2	20	40
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc2c(c1)OCO2	ZINC000852099927	CD	On-Demand	Mild	ADRB2	20	40
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc2c(c1)OCO2	ZINC000852099928	CD	On-Demand	Mild	ADRB2	20	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc2c(c1)OCO2	ZINC000852099930	CD	On-Demand	Mild	ADRB2	20	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000852099949	FE	On-Demand	Mild	P2RY12	15	42
C#C[C@](C)(CC)NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000852099951	FE	On-Demand	Mild	P2RY12	15	42
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852099963	CE	On-Demand	Mild	NMBR	54	32
C#C[C@](C)(CC)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852099964	CE	On-Demand	Mild	NMBR	54	32
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	ZINC000852099977	EC	On-Demand	Reactive	ENPP1	49	30
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	ZINC000852099978	EC	On-Demand	Reactive	ENPP1	49	30
C#C[C@@](C)(CC)NCC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1	ZINC000852099981	FE	On-Demand	Mild	HRH3	22	42
C#C[C@@](C)(CC)NCC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1	ZINC000852099981	FE	On-Demand	Mild	CACNA1G	28	44
C#C[C@](C)(CC)NCC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1	ZINC000852099982	FE	On-Demand	Mild	HRH3	22	42
C#C[C@](C)(CC)NCC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1	ZINC000852099982	FE	On-Demand	Mild	CACNA1G	28	44
C#C[C@@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852099986	DF	On-Demand	Mild	VIPR1	33	52
C#C[C@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852099989	DF	On-Demand	Mild	VIPR1	33	52
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099999	GD	On-Demand	Mild	EPHX2	18	51
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099999	GD	On-Demand	Mild	TGM2	61	44
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099999	GD	On-Demand	Mild	F13A1	88	44
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099999	GD	On-Demand	Mild	MERTK	32	42
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852099999	GD	On-Demand	Mild	NAMPT	31	47
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100001	GD	On-Demand	Mild	EPHX2	18	51
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100001	GD	On-Demand	Mild	TGM2	61	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100001	GD	On-Demand	Mild	F13A1	88	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100001	GD	On-Demand	Mild	MERTK	32	42
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100001	GD	On-Demand	Mild	NAMPT	31	47
C#C[C@](C)(CC)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852100003	ED	On-Demand	Mild	SSTR1	50	47
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852100005	ED	On-Demand	Mild	SSTR1	50	47
C#C[C@@](C)(CC)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852100052	EE	On-Demand	Mild	SSTR1	33	43
C#C[C@](C)(CC)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852100053	EE	On-Demand	Mild	SSTR1	33	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(Cl)cc1	ZINC000852100074	CF	On-Demand	Mild	AMP1_PLAFQ	15	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(Cl)cc1	ZINC000852100075	CF	On-Demand	Mild	AMP1_PLAFQ	15	46
C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccc(Cl)cc1	ZINC000852100076	CF	On-Demand	Mild	AMP1_PLAFQ	15	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccc(Cl)cc1	ZINC000852100077	CF	On-Demand	Mild	AMP1_PLAFQ	15	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC3(C)C)C2)cc1	ZINC000852100094	DF	On-Demand	Clean	MTNR1A	17	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC3(C)C)C2)cc1	ZINC000852100094	DF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC3(C)C)C2)cc1	ZINC000852100094	DF	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC3(C)C)C2)cc1	ZINC000852100096	DF	On-Demand	Clean	MTNR1A	17	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC3(C)C)C2)cc1	ZINC000852100096	DF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC3(C)C)C2)cc1	ZINC000852100096	DF	On-Demand	Clean	EPHX2	16	42
C#C[C@@](C)(CC)NCc1nc(-c2ccccn2)no1	ZINC000852100111	CE	On-Demand	Mild	LUCI_PHOPE	23	40
C#C[C@](C)(CC)NCc1nc(-c2ccccn2)no1	ZINC000852100114	CE	On-Demand	Mild	LUCI_PHOPE	23	40
C#C[C@@](C)(CC)NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1	ZINC000852100144	DF	On-Demand	Mild	DDR2	22	41
C#C[C@](C)(CC)NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1	ZINC000852100148	DF	On-Demand	Mild	DDR2	22	41
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852100177	EG	On-Demand	Mild	ROCK1	20	41
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852100177	EG	On-Demand	Mild	ROCK2	15	41
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852100179	EG	On-Demand	Mild	ROCK1	20	41
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852100179	EG	On-Demand	Mild	ROCK2	15	41
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(Br)c1	ZINC000852100192	DG	On-Demand	Mild	EGFR	28	43
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(Br)c1	ZINC000852100192	DG	On-Demand	Mild	HDAC10	19	41
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(Br)c1	ZINC000852100192	DG	On-Demand	Mild	HDAC3	19	42
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(Br)c1	ZINC000852100195	DG	On-Demand	Mild	EGFR	28	43
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(Br)c1	ZINC000852100195	DG	On-Demand	Mild	HDAC10	19	41
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(Br)c1	ZINC000852100195	DG	On-Demand	Mild	HDAC3	19	42
C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852100198	CF	On-Demand	Mild	CYP11B1	16	41
C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852100198	CF	On-Demand	Mild	MAOA	46	34
C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852100198	CF	On-Demand	Mild	MAOB	34	45
C#C[C@](C)(CC)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852100201	CF	On-Demand	Mild	CYP11B1	16	41
C#C[C@](C)(CC)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852100201	CF	On-Demand	Mild	MAOA	46	34
C#C[C@](C)(CC)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852100201	CF	On-Demand	Mild	MAOB	34	45
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)NCC)c1	ZINC000852100216	DD	On-Demand	Mild	KCNK3	98	39
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)NCC)c1	ZINC000852100216	DD	On-Demand	Mild	KCNK9	57	38
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)NCC)c1	ZINC000852100218	DD	On-Demand	Mild	KCNK3	98	39
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)NCC)c1	ZINC000852100218	DD	On-Demand	Mild	KCNK9	57	38
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100228	CF	On-Demand	Mild	AKR1C3	18	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100228	CF	On-Demand	Mild	IMDH_CRYPV	56	35
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100228	CF	On-Demand	Mild	KCNK3	65	33
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100230	CF	On-Demand	Mild	AKR1C3	18	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100230	CF	On-Demand	Mild	IMDH_CRYPV	56	35
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100230	CF	On-Demand	Mild	KCNK3	65	33
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100232	CF	On-Demand	Mild	AKR1C3	18	43
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100232	CF	On-Demand	Mild	IMDH_CRYPV	56	35
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100232	CF	On-Demand	Mild	KCNK3	65	33
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000852100233	DD	On-Demand	Mild	KCNK3	49	35
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100234	CF	On-Demand	Mild	AKR1C3	18	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100234	CF	On-Demand	Mild	IMDH_CRYPV	56	35
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852100234	CF	On-Demand	Mild	KCNK3	65	33
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000852100235	DD	On-Demand	Mild	KCNK3	49	35
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852100248	CC	On-Demand	Reactive	CTRB_BOVIN	48	35
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852100250	CC	On-Demand	Reactive	CTRB_BOVIN	48	35
O=C(NCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1c(F)cccc1F	ZINC000852100252	GC	On-Demand	Anodyne	PLD1	42	32
O=C(NCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1c(F)cccc1F	ZINC000852100252	GC	On-Demand	Anodyne	PLD2	40	32
O=C(NCCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1c(F)cccc1F	ZINC000852100253	GC	On-Demand	Anodyne	PLD1	42	32
O=C(NCCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1c(F)cccc1F	ZINC000852100253	GC	On-Demand	Anodyne	PLD2	40	32
C#C[C@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000852100267	EG	On-Demand	Mild	VIPR1	25	40
C#C[C@@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000852100270	EG	On-Demand	Mild	VIPR1	25	40
C#C[C@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000852100273	EG	On-Demand	Mild	VIPR1	25	40
C#C[C@@](C)(CC)NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000852100275	EG	On-Demand	Mild	VIPR1	25	40
C#C[C@@](C)(CC)NCC(=O)Nc1cc(OC)c(OC)c(OC)c1	ZINC000852100278	DE	On-Demand	Mild	ENPP1	50	30
C#C[C@](C)(CC)NCC(=O)Nc1cc(OC)c(OC)c(OC)c1	ZINC000852100279	DE	On-Demand	Mild	ENPP1	50	30
COc1cccc(C[C@H](C)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1	ZINC000852100286	GH	On-Demand	Anodyne	FPR1	42	34
COc1cccc(C[C@@H](C)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1	ZINC000852100289	GH	On-Demand	Anodyne	FPR1	42	34
C#C[C@](C)(CC)NC[C@@H](O)COc1c(OC)cccc1OC	ZINC000852100327	DD	On-Demand	Mild	ADRB2	34	51
C#C[C@](C)(CC)NC[C@@H](O)COc1c(OC)cccc1OC	ZINC000852100327	DD	On-Demand	Mild	ADRB1	25	42
C#C[C@](C)(CC)NC[C@@H](O)COc1c(OC)cccc1OC	ZINC000852100327	DD	On-Demand	Mild	CYP2D6	22	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1c(OC)cccc1OC	ZINC000852100328	DD	On-Demand	Mild	ADRB2	34	51
C#C[C@@](C)(CC)NC[C@@H](O)COc1c(OC)cccc1OC	ZINC000852100328	DD	On-Demand	Mild	ADRB1	25	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1c(OC)cccc1OC	ZINC000852100328	DD	On-Demand	Mild	CYP2D6	22	42
C#C[C@@](C)(CC)NC[C@H](O)COc1c(OC)cccc1OC	ZINC000852100329	DD	On-Demand	Mild	ADRB2	34	51
C#C[C@@](C)(CC)NC[C@H](O)COc1c(OC)cccc1OC	ZINC000852100329	DD	On-Demand	Mild	ADRB1	25	42
C#C[C@@](C)(CC)NC[C@H](O)COc1c(OC)cccc1OC	ZINC000852100329	DD	On-Demand	Mild	CYP2D6	22	42
C#C[C@](C)(CC)NC[C@H](O)COc1c(OC)cccc1OC	ZINC000852100330	DD	On-Demand	Mild	ADRB2	34	51
C#C[C@](C)(CC)NC[C@H](O)COc1c(OC)cccc1OC	ZINC000852100330	DD	On-Demand	Mild	ADRB1	25	42
C#C[C@](C)(CC)NC[C@H](O)COc1c(OC)cccc1OC	ZINC000852100330	DD	On-Demand	Mild	CYP2D6	22	42
C#C[C@@](C)(CC)NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000852100331	EE	On-Demand	Mild	EPHX2	20	42
C#C[C@](C)(CC)N[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852100332	DD	On-Demand	Mild	ANPEP	25	43
C#C[C@](C)(CC)N[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852100332	DD	On-Demand	Mild	PDS	45	34
C#C[C@](C)(CC)NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000852100333	EE	On-Demand	Mild	EPHX2	20	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852100334	DD	On-Demand	Mild	ANPEP	25	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852100334	DD	On-Demand	Mild	PDS	45	34
CC1(C)C[C@@H]1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852100335	CE	On-Demand	Reactive	F10	47	31
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852100336	DD	On-Demand	Mild	ANPEP	25	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852100336	DD	On-Demand	Mild	PDS	45	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852100338	DD	On-Demand	Mild	ANPEP	25	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852100338	DD	On-Demand	Mild	PDS	45	34
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA2	61	56
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA1	57	56
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA7	31	42
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA5B	44	37
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA4	63	53
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA5A	51	37
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA14	27	42
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA12	37	46
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	CA9	39	46
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	TTK	21	41
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100353	DD	On-Demand	Mild	P96878_MYCTU	42	35
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA2	61	56
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA1	57	56
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA7	31	42
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA5B	44	37
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA4	63	53
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA5A	51	37
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA14	27	42
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA12	37	46
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	CA9	39	46
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	TTK	21	41
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852100355	DD	On-Demand	Mild	P96878_MYCTU	42	35
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852100365	EF	On-Demand	Mild	EPHX2	70	41
C#C[C@](C)(CC)N[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852100367	EF	On-Demand	Mild	EPHX2	70	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852100370	EF	On-Demand	Mild	EPHX2	70	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852100372	EF	On-Demand	Mild	EPHX2	70	41
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852100376	DE	On-Demand	Mild	MTNR1B	15	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852100377	DE	On-Demand	Mild	MTNR1B	15	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852100378	DE	On-Demand	Mild	MTNR1B	15	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852100379	DE	On-Demand	Mild	MTNR1B	15	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852100388	DD	On-Demand	Mild	SIGMAR1	44	41
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852100388	DD	On-Demand	Mild	FAAH	17	43
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852100388	DD	On-Demand	Mild	CACNA1G	48	42
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852100390	DD	On-Demand	Mild	SIGMAR1	44	41
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852100390	DD	On-Demand	Mild	FAAH	17	43
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852100390	DD	On-Demand	Mild	CACNA1G	48	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852100396	FE	On-Demand	Mild	CA14	15	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852100398	FE	On-Demand	Mild	CA14	15	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852100400	FE	On-Demand	Mild	CA14	15	43
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852100402	FE	On-Demand	Mild	CA14	15	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccnc1Cl	ZINC000852100405	CE	On-Demand	Mild	G2YM83_BOTF4	66	34
C#C[C@@](C)(CC)NCCC(=O)Nc1cc(Cl)ccc1OC	ZINC000852100406	DG	On-Demand	Mild	RBP4	17	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccnc1Cl	ZINC000852100407	CE	On-Demand	Mild	G2YM83_BOTF4	66	34
C#C[C@](C)(CC)NCCC(=O)Nc1cc(Cl)ccc1OC	ZINC000852100408	DG	On-Demand	Mild	RBP4	17	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccnc1Cl	ZINC000852100409	CE	On-Demand	Mild	G2YM83_BOTF4	66	34
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(CN2CCCC2)cc1	ZINC000852100410	EE	On-Demand	Mild	HRH3	17	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccnc1Cl	ZINC000852100411	CE	On-Demand	Mild	G2YM83_BOTF4	66	34
C#C[C@](C)(CC)NCC(=O)NCc1ccc(CN2CCCC2)cc1	ZINC000852100413	EE	On-Demand	Mild	HRH3	17	40
COCCN(CCF)C(=O)N[C@H](C)Cc1cccc(OC)c1	ZINC000852100433	DE	On-Demand	Anodyne	MTNR1A	26	41
COCCN(CCF)C(=O)N[C@H](C)Cc1cccc(OC)c1	ZINC000852100433	DE	On-Demand	Anodyne	MTNR1B	30	41
COCCN(CCF)C(=O)N[C@H](C)Cc1cccc(OC)c1	ZINC000852100433	DE	On-Demand	Anodyne	BACE1	20	41
COCCN(CCF)C(=O)N[C@H](C)Cc1cccc(OC)c1	ZINC000852100433	DE	On-Demand	Anodyne	PTGES	17	45
COCCN(CCF)C(=O)N[C@@H](C)Cc1cccc(OC)c1	ZINC000852100434	DE	On-Demand	Anodyne	MTNR1A	26	41
COCCN(CCF)C(=O)N[C@@H](C)Cc1cccc(OC)c1	ZINC000852100434	DE	On-Demand	Anodyne	MTNR1B	30	41
COCCN(CCF)C(=O)N[C@@H](C)Cc1cccc(OC)c1	ZINC000852100434	DE	On-Demand	Anodyne	BACE1	20	41
COCCN(CCF)C(=O)N[C@@H](C)Cc1cccc(OC)c1	ZINC000852100434	DE	On-Demand	Anodyne	PTGES	17	45
C#C[C@](C)(CC)NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1	ZINC000852100439	FC	On-Demand	Mild	PDGFRB	42	34
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1	ZINC000852100440	FC	On-Demand	Mild	PDGFRB	42	34
C#C[C@](C)(CC)NCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852100443	DD	On-Demand	Mild	SSTR1	22	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852100444	DD	On-Demand	Mild	SSTR1	22	40
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852100453	GD	On-Demand	Mild	LPL	38	40
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852100453	GD	On-Demand	Mild	EPHX2	22	54
C#C[C@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852100453	GD	On-Demand	Mild	F13A1	56	39
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852100454	GD	On-Demand	Mild	LPL	38	40
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852100454	GD	On-Demand	Mild	EPHX2	22	54
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852100454	GD	On-Demand	Mild	F13A1	56	39
COc1cccc(C[C@H](C)NC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852100457	GG	On-Demand	Anodyne	DRD4	41	32
COc1cccc(C[C@H](C)NC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852100457	GG	On-Demand	Anodyne	HRH2	21	40
COc1cccc(C[C@H](C)NC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852100457	GG	On-Demand	Anodyne	ROCK2	33	42
COc1cccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852100458	GG	On-Demand	Anodyne	DRD4	41	32
COc1cccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852100458	GG	On-Demand	Anodyne	HRH2	21	40
COc1cccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852100458	GG	On-Demand	Anodyne	ROCK2	33	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000852100495	DE	On-Demand	Mild	KCNK3	41	32
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000852100496	DE	On-Demand	Mild	KCNK3	41	32
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000852100497	DE	On-Demand	Mild	KCNK3	41	32
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000852100498	DE	On-Demand	Mild	KCNK3	41	32
C#C[C@@](C)(CC)NCC(=O)Nc1nc2ccccc2s1	ZINC000852100505	CF	On-Demand	Mild	LCK	26	43
C#C[C@@](C)(CC)NCC(=O)Nc1nc2ccccc2s1	ZINC000852100505	CF	On-Demand	Mild	CSNK1D	47	53
C#C[C@](C)(CC)NCC(=O)Nc1nc2ccccc2s1	ZINC000852100506	CF	On-Demand	Mild	LCK	26	43
C#C[C@](C)(CC)NCC(=O)Nc1nc2ccccc2s1	ZINC000852100506	CF	On-Demand	Mild	CSNK1D	47	53
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100516	CD	On-Demand	Mild	ADRB2	28	47
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100516	CD	On-Demand	Mild	ADRB1	59	41
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100516	CD	On-Demand	Mild	CASR	43	39
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100516	CD	On-Demand	Mild	CYP2D6	24	40
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100517	CD	On-Demand	Mild	ADRB2	28	47
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100517	CD	On-Demand	Mild	ADRB1	59	41
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100517	CD	On-Demand	Mild	CASR	43	39
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100517	CD	On-Demand	Mild	CYP2D6	24	40
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100518	CD	On-Demand	Mild	ADRB2	28	47
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100518	CD	On-Demand	Mild	ADRB1	59	41
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100518	CD	On-Demand	Mild	CASR	43	39
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100518	CD	On-Demand	Mild	CYP2D6	24	40
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100519	CD	On-Demand	Mild	ADRB2	28	47
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100519	CD	On-Demand	Mild	ADRB1	59	41
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100519	CD	On-Demand	Mild	CASR	43	39
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000852100519	CD	On-Demand	Mild	CYP2D6	24	40
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(OC)c1	ZINC000852100522	CE	On-Demand	Mild	MTNR1A	43	55
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(OC)c1	ZINC000852100522	CE	On-Demand	Mild	MTNR1B	43	56
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(OC)c1	ZINC000852100522	CE	On-Demand	Mild	TAAR1	33	40
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc(OC)c1	ZINC000852100522	CE	On-Demand	Mild	KCNK3	42	37
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(OC)c1	ZINC000852100523	CE	On-Demand	Mild	MTNR1A	43	55
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(OC)c1	ZINC000852100523	CE	On-Demand	Mild	MTNR1B	43	56
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(OC)c1	ZINC000852100523	CE	On-Demand	Mild	TAAR1	33	40
C#C[C@](C)(CC)NCCC(=O)Nc1cccc(OC)c1	ZINC000852100523	CE	On-Demand	Mild	KCNK3	42	37
C#C[C@@](C)(CC)NCC(=O)N1CCC(OCc2ccccc2)CC1	ZINC000852100528	EF	On-Demand	Mild	GRIN2B	43	42
C#C[C@@](C)(CC)NCC(=O)N1CCC(OCc2ccccc2)CC1	ZINC000852100528	EF	On-Demand	Mild	TIMP3	43	31
C#C[C@@](C)(CC)NCC(=O)N1CCC(OCc2ccccc2)CC1	ZINC000852100528	EF	On-Demand	Mild	SCD	21	43
C#C[C@](C)(CC)NCC(=O)N1CCC(OCc2ccccc2)CC1	ZINC000852100529	EF	On-Demand	Mild	GRIN2B	43	42
C#C[C@](C)(CC)NCC(=O)N1CCC(OCc2ccccc2)CC1	ZINC000852100529	EF	On-Demand	Mild	TIMP3	43	31
C#C[C@](C)(CC)NCC(=O)N1CCC(OCc2ccccc2)CC1	ZINC000852100529	EF	On-Demand	Mild	SCD	21	43
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100562	ED	On-Demand	Mild	DRD4	18	41
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100562	ED	On-Demand	Mild	DPP4	20	40
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100562	ED	On-Demand	Mild	EPHX2	31	42
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100562	ED	On-Demand	Mild	CCR8	68	43
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100562	ED	On-Demand	Mild	SFRP1	54	38
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100564	ED	On-Demand	Mild	DRD4	18	41
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100564	ED	On-Demand	Mild	DPP4	20	40
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100564	ED	On-Demand	Mild	EPHX2	31	42
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100564	ED	On-Demand	Mild	CCR8	68	43
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852100564	ED	On-Demand	Mild	SFRP1	54	38
C#C[C@@](C)(CC)NCC(=O)Nc1nc2c(s1)CCC2	ZINC000852100571	CD	On-Demand	Mild	SLC27A1	32	44
C#C[C@](C)(CC)NCC(=O)Nc1nc2c(s1)CCC2	ZINC000852100573	CD	On-Demand	Mild	SLC27A1	32	44
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852100577	ED	On-Demand	Mild	L3MBTL3	45	34
C#C[C@](C)(CC)NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852100578	ED	On-Demand	Mild	L3MBTL3	45	34
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100582	GC	On-Demand	Mild	F13A1	46	34
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100582	GC	On-Demand	Mild	NAMPT	65	46
C#C[C@](C)(CC)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100584	GC	On-Demand	Mild	F13A1	46	34
C#C[C@](C)(CC)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852100584	GC	On-Demand	Mild	NAMPT	65	46
C#C[C@](C)(CC)NCc1cccc(C(=O)NCC(C)C)c1	ZINC000852100594	CF	On-Demand	Mild	F3	73	36
C#C[C@@](C)(CC)NCc1cccc(C(=O)NCC(C)C)c1	ZINC000852100595	CF	On-Demand	Mild	F3	73	36
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000852100598	FD	On-Demand	Mild	ENPP1	60	32
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000852100599	FD	On-Demand	Mild	ENPP1	60	32
C#C[C@@](C)(CC)NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852100600	EC	On-Demand	Mild	CA2	15	54
C#C[C@@](C)(CC)NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852100600	EC	On-Demand	Mild	CA7	28	54
C#C[C@@](C)(CC)NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852100600	EC	On-Demand	Mild	EIF2AK3	61	34
C#C[C@](C)(CC)NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852100601	EC	On-Demand	Mild	CA2	15	54
C#C[C@](C)(CC)NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852100601	EC	On-Demand	Mild	CA7	28	54
C#C[C@](C)(CC)NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852100601	EC	On-Demand	Mild	EIF2AK3	61	34
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852100615	DE	On-Demand	Mild	TAAR1	19	42
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852100615	DE	On-Demand	Mild	AKR1C2	17	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852100617	DE	On-Demand	Mild	TAAR1	19	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852100617	DE	On-Demand	Mild	AKR1C2	17	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852100620	DE	On-Demand	Mild	TAAR1	19	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852100620	DE	On-Demand	Mild	AKR1C2	17	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852100622	DE	On-Demand	Mild	TAAR1	19	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852100622	DE	On-Demand	Mild	AKR1C2	17	42
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100650	CF	On-Demand	Mild	SLC1A1	33	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100650	CF	On-Demand	Mild	SLC1A3	37	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100650	CF	On-Demand	Mild	SLC1A2	43	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100650	CF	On-Demand	Mild	AGPAT2	41	35
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100650	CF	On-Demand	Mild	ERBB4	42	37
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100650	CF	On-Demand	Mild	MCHR1	15	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100652	CF	On-Demand	Mild	SLC1A1	33	44
C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100652	CF	On-Demand	Mild	SLC1A3	37	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100652	CF	On-Demand	Mild	SLC1A2	43	44
C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100652	CF	On-Demand	Mild	AGPAT2	41	35
C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100652	CF	On-Demand	Mild	ERBB4	42	37
C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852100652	CF	On-Demand	Mild	MCHR1	15	40
COC(=O)N(C)CCNC(=O)N[C@H](C)Cc1cccc(OC)c1	ZINC000852100662	DD	On-Demand	Anodyne	HRH2	20	41
COC(=O)N(C)CCNC(=O)N[C@H](C)Cc1cccc(OC)c1	ZINC000852100662	DD	On-Demand	Anodyne	MTNR1A	54	44
COC(=O)N(C)CCNC(=O)N[C@H](C)Cc1cccc(OC)c1	ZINC000852100662	DD	On-Demand	Anodyne	MTNR1B	53	44
COC(=O)N(C)CCNC(=O)N[C@H](C)Cc1cccc(OC)c1	ZINC000852100662	DD	On-Demand	Anodyne	HSD17B2	17	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)Cc1cccc(OC)c1	ZINC000852100664	DD	On-Demand	Anodyne	HRH2	20	41
COC(=O)N(C)CCNC(=O)N[C@@H](C)Cc1cccc(OC)c1	ZINC000852100664	DD	On-Demand	Anodyne	MTNR1A	54	44
COC(=O)N(C)CCNC(=O)N[C@@H](C)Cc1cccc(OC)c1	ZINC000852100664	DD	On-Demand	Anodyne	MTNR1B	53	44
COC(=O)N(C)CCNC(=O)N[C@@H](C)Cc1cccc(OC)c1	ZINC000852100664	DD	On-Demand	Anodyne	HSD17B2	17	42
C#C[C@@](C)(CC)NCC(=O)NCC1(c2ccccc2)CC1	ZINC000852100665	CE	On-Demand	Mild	KCNA3	46	39
C#C[C@@](C)(CC)NCC(=O)NCC1(c2ccccc2)CC1	ZINC000852100665	CE	On-Demand	Mild	NPFFR1	24	43
C#C[C@](C)(CC)NCC(=O)NCC1(c2ccccc2)CC1	ZINC000852100667	CE	On-Demand	Mild	KCNA3	46	39
C#C[C@](C)(CC)NCC(=O)NCC1(c2ccccc2)CC1	ZINC000852100667	CE	On-Demand	Mild	NPFFR1	24	43
C#C[C@@](C)(CC)NCCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852100681	CF	On-Demand	Mild	HTR7	15	50
C#C[C@@](C)(CC)NCCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852100681	CF	On-Demand	Mild	BDKRB1	45	38
C#C[C@@](C)(CC)NCCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852100681	CF	On-Demand	Mild	BIRC2	41	37
C#C[C@](C)(CC)NCCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852100683	CF	On-Demand	Mild	HTR7	15	50
C#C[C@](C)(CC)NCCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852100683	CF	On-Demand	Mild	BDKRB1	45	38
C#C[C@](C)(CC)NCCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852100683	CF	On-Demand	Mild	BIRC2	41	37
C#C[C@@](C)(CC)NCCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852100686	CF	On-Demand	Mild	HTR7	15	50
C#C[C@@](C)(CC)NCCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852100686	CF	On-Demand	Mild	BDKRB1	45	38
C#C[C@@](C)(CC)NCCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852100686	CF	On-Demand	Mild	BIRC2	41	37
C#C[C@](C)(CC)NCCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852100687	CF	On-Demand	Mild	HTR7	15	50
C#C[C@](C)(CC)NCCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852100687	CF	On-Demand	Mild	BDKRB1	45	38
C#C[C@](C)(CC)NCCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852100687	CF	On-Demand	Mild	BIRC2	41	37
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852100694	CE	On-Demand	Mild	MTNR1B	17	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852100694	CE	On-Demand	Mild	NPY5R	18	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852100696	CE	On-Demand	Mild	MTNR1B	17	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852100696	CE	On-Demand	Mild	NPY5R	18	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852100698	CE	On-Demand	Mild	MTNR1B	17	42
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852100698	CE	On-Demand	Mild	NPY5R	18	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852100700	CE	On-Demand	Mild	MTNR1B	17	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852100700	CE	On-Demand	Mild	NPY5R	18	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852100710	DE	On-Demand	Mild	KCNMA1	21	49
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852100712	DE	On-Demand	Mild	KCNMA1	21	49
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852100714	DE	On-Demand	Mild	KCNMA1	21	49
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852100716	DE	On-Demand	Mild	KCNMA1	21	49
C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1C(=O)OC	ZINC000852100741	CD	On-Demand	Mild	FAS	28	48
C#C[C@](C)(CC)NCC(=O)Nc1ccccc1C(=O)OC	ZINC000852100742	CD	On-Demand	Mild	FAS	28	48
C#C[C@](C)(CC)NCC(=O)Nc1nccs1	ZINC000852100743	BD	On-Demand	Mild	MAP1	120	43
C#C[C@@](C)(CC)NCC(=O)Nc1nccs1	ZINC000852100745	BD	On-Demand	Mild	MAP1	120	43
C#C[C@@](C)(CC)NCC(=O)NCc1ccc2c(c1)OCO2	ZINC000852100746	CD	On-Demand	Mild	NOS2	99	39
C#C[C@](C)(CC)NCC(=O)NCc1ccc2c(c1)OCO2	ZINC000852100747	CD	On-Demand	Mild	NOS2	99	39
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCC)c1	ZINC000852100753	DE	On-Demand	Mild	HRH2	27	40
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCC)c1	ZINC000852100753	DE	On-Demand	Mild	PDS	70	36
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCC)c1	ZINC000852100755	DE	On-Demand	Mild	HRH2	27	40
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCC)c1	ZINC000852100755	DE	On-Demand	Mild	PDS	70	36
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100758	DF	On-Demand	Mild	HRH2	29	44
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100758	DF	On-Demand	Mild	MTNR1A	35	40
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100758	DF	On-Demand	Mild	PLA2G4B	53	41
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100758	DF	On-Demand	Mild	FAAH	15	42
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100758	DF	On-Demand	Mild	PDS	69	36
C#C[C@](C)(CC)NCc1cc(=O)oc2cc(NC(C)=O)ccc12	ZINC000852100760	DF	On-Demand	Mild	HSD17B3	19	44
C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(NC(C)=O)ccc12	ZINC000852100761	DF	On-Demand	Mild	HSD17B3	19	44
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100762	DF	On-Demand	Mild	HRH2	29	44
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100762	DF	On-Demand	Mild	MTNR1A	35	40
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100762	DF	On-Demand	Mild	PLA2G4B	53	41
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100762	DF	On-Demand	Mild	FAAH	15	42
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCCC)c1	ZINC000852100762	DF	On-Demand	Mild	PDS	69	36
C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(C)ccc12	ZINC000852100770	CF	On-Demand	Mild	HSD17B3	17	44
C#C[C@](C)(CC)NCc1cc(=O)oc2cc(C)ccc12	ZINC000852100775	CF	On-Demand	Mild	HSD17B3	17	44
C#C[C@@](C)(CC)NCC(=O)Nc1nc2ccc(F)cc2s1	ZINC000852100783	DF	On-Demand	Mild	LCK	28	43
C#C[C@@](C)(CC)NCC(=O)Nc1nc2ccc(F)cc2s1	ZINC000852100783	DF	On-Demand	Mild	CSNK1D	52	50
C#C[C@](C)(CC)NCC(=O)Nc1nc2ccc(F)cc2s1	ZINC000852100784	DF	On-Demand	Mild	LCK	28	43
C#C[C@](C)(CC)NCC(=O)Nc1nc2ccc(F)cc2s1	ZINC000852100784	DF	On-Demand	Mild	CSNK1D	52	50
C#C[C@@](C)(CC)NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1	ZINC000852100789	EH	On-Demand	Mild	CPT1A	72	40
C#C[C@@](C)(CC)NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1	ZINC000852100789	EH	On-Demand	Mild	DPP4	19	46
C#C[C@@](C)(CC)NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1	ZINC000852100790	EH	On-Demand	Mild	CPT1A	72	40
C#C[C@@](C)(CC)NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1	ZINC000852100790	EH	On-Demand	Mild	DPP4	19	46
C#C[C@](C)(CC)NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1	ZINC000852100792	EH	On-Demand	Mild	CPT1A	72	40
C#C[C@](C)(CC)NCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1	ZINC000852100792	EH	On-Demand	Mild	DPP4	19	46
C#C[C@](C)(CC)NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1	ZINC000852100793	EH	On-Demand	Mild	CPT1A	72	40
C#C[C@](C)(CC)NCC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1	ZINC000852100793	EH	On-Demand	Mild	DPP4	19	46
C#C[C@](C)(CC)NC[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852100827	CG	On-Demand	Mild	LUCI_PHOPY	82	48
C#C[C@](C)(CC)NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852100828	CG	On-Demand	Mild	LUCI_PHOPY	82	48
C#C[C@@](C)(CC)NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852100830	CG	On-Demand	Mild	LUCI_PHOPY	82	48
C#C[C@@](C)(CC)NC[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852100831	CG	On-Demand	Mild	LUCI_PHOPY	82	48
C#C[C@@](C)(CC)NCC(=O)Nc1nc2c(OC)cccc2s1	ZINC000852100835	DF	On-Demand	Mild	TRPV1	19	41
C#C[C@@](C)(CC)NCC(=O)Nc1nc2c(OC)cccc2s1	ZINC000852100835	DF	On-Demand	Mild	CSNK1D	37	43
C#C[C@](C)(CC)NCC(=O)Nc1nc2c(OC)cccc2s1	ZINC000852100837	DF	On-Demand	Mild	TRPV1	19	41
C#C[C@](C)(CC)NCC(=O)Nc1nc2c(OC)cccc2s1	ZINC000852100837	DF	On-Demand	Mild	CSNK1D	37	43
C#C[C@@](C)(CC)NCC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000852100843	DE	On-Demand	Mild	SSTR4	40	33
C#C[C@](C)(CC)NCC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000852100844	DE	On-Demand	Mild	SSTR4	40	33
O=C(NC/C=C\c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100859	FG	On-Demand	Anodyne	DRD2	15	43
O=C(NC/C=C\c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100859	FG	On-Demand	Anodyne	DRD4	33	43
O=C(NC/C=C\c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100859	FG	On-Demand	Anodyne	ACHE	48	51
O=C(NC/C=C\c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100859	FG	On-Demand	Anodyne	HTR4	42	43
O=C(NC/C=C\c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100859	FG	On-Demand	Anodyne	SIGMAR1	41	52
O=C(NC/C=C\c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100859	FG	On-Demand	Anodyne	CCR3	33	40
O=C(NC/C=C\c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100859	FG	On-Demand	Anodyne	CACNA1I	60	39
O=C(NC/C=C/c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100864	FG	On-Demand	Anodyne	DRD2	15	43
O=C(NC/C=C/c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100864	FG	On-Demand	Anodyne	DRD4	33	43
O=C(NC/C=C/c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100864	FG	On-Demand	Anodyne	ACHE	48	51
O=C(NC/C=C/c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100864	FG	On-Demand	Anodyne	HTR4	42	43
O=C(NC/C=C/c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100864	FG	On-Demand	Anodyne	SIGMAR1	41	52
O=C(NC/C=C/c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100864	FG	On-Demand	Anodyne	CCR3	33	40
O=C(NC/C=C/c1ccccc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852100864	FG	On-Demand	Anodyne	CACNA1I	60	39
O=C(NCCNC(=O)N1CCC(N2CCOC2=O)CC1)c1c(F)cccc1F	ZINC000852100882	GD	On-Demand	Anodyne	PLD1	40	33
O=C(NCCNC(=O)N1CCC(N2CCOC2=O)CC1)c1c(F)cccc1F	ZINC000852100882	GD	On-Demand	Anodyne	PLD2	40	33
C#C[C@](C)(CC)NCC(=O)Nc1ccc2ccccc2c1	ZINC000852100940	CG	On-Demand	Mild	IMDH_CRYPV	28	41
C#C[C@@](C)(CC)NCC(=O)Nc1ccc2ccccc2c1	ZINC000852100942	CG	On-Demand	Mild	IMDH_CRYPV	28	41
C#C[C@@](C)(CC)NCC(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852100943	CD	On-Demand	Mild	ENPP1	40	30
C#C[C@](C)(CC)NCC(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852100944	CD	On-Demand	Mild	ENPP1	40	30
C#C[C@@](C)(CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000852100946	DD	On-Demand	Mild	KCNMA1	22	48
C#C[C@](C)(CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000852100947	DD	On-Demand	Mild	KCNMA1	22	48
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1ccccc1Cl	ZINC000852100967	DD	On-Demand	Reactive	ECR	49	40
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1ccccc1Cl	ZINC000852100967	DD	On-Demand	Reactive	NR2E3	44	31
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1ccccc1Cl	ZINC000852100968	DD	On-Demand	Reactive	ECR	49	40
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1ccccc1Cl	ZINC000852100968	DD	On-Demand	Reactive	NR2E3	44	31
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100977	DG	On-Demand	Mild	ROCK1	22	44
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100977	DG	On-Demand	Mild	ROCK2	16	44
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100977	DG	On-Demand	Mild	HDAC9	16	50
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100977	DG	On-Demand	Mild	VCP	16	41
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100977	DG	On-Demand	Mild	SLC12A5	15	44
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100979	DG	On-Demand	Mild	ROCK1	22	44
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100979	DG	On-Demand	Mild	ROCK2	16	44
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100979	DG	On-Demand	Mild	HDAC9	16	50
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100979	DG	On-Demand	Mild	VCP	16	41
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852100979	DG	On-Demand	Mild	SLC12A5	15	44
COc1cccc(C[C@H](C)NC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852100982	EC	On-Demand	Reactive	ROCK2	40	37
COc1cccc(C[C@@H](C)NC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852100984	EC	On-Demand	Reactive	ROCK2	40	37
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852101001	EH	On-Demand	Mild	VIPR1	29	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852101003	EH	On-Demand	Mild	VIPR1	29	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852101004	EH	On-Demand	Mild	VIPR1	29	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852101005	EH	On-Demand	Mild	VIPR1	29	46
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA2	105	57
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA6	18	43
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA1	91	57
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA7	61	51
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA13	23	43
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA5B	47	51
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA4	71	54
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA5A	47	51
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA14	55	50
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA12	65	50
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CA9	75	57
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	CYNT	48	51
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	NCE103	21	47
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	MTCA1	31	43
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	P96878_MYCTU	41	47
C#C[C@@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101011	FC	On-Demand	Mild	A6YCJ1_9METZ	26	48
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA2	105	57
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA6	18	43
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA1	91	57
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA7	61	51
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA13	23	43
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA5B	47	51
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA4	71	54
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA5A	47	51
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA14	55	50
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA12	65	50
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CA9	75	57
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	CYNT	48	51
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	NCE103	21	47
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	MTCA1	31	43
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	P96878_MYCTU	41	47
C#C[C@](C)(CC)NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101013	FC	On-Demand	Mild	A6YCJ1_9METZ	26	48
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852101014	DD	On-Demand	Mild	MAPK14	33	42
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852101014	DD	On-Demand	Mild	MAPK13	41	32
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852101014	DD	On-Demand	Mild	KCNK3	80	36
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852101014	DD	On-Demand	Mild	KCNK9	49	36
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852101015	DD	On-Demand	Mild	MAPK14	33	42
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852101015	DD	On-Demand	Mild	MAPK13	41	32
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852101015	DD	On-Demand	Mild	KCNK3	80	36
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852101015	DD	On-Demand	Mild	KCNK9	49	36
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852101054	GD	On-Demand	Mild	TGM2	64	40
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852101054	GD	On-Demand	Mild	F13A1	77	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852101057	GD	On-Demand	Mild	TGM2	64	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852101057	GD	On-Demand	Mild	F13A1	77	40
C#C[C@@](C)(CC)NCCC(=O)OCc1ccccc1	ZINC000852101100	CF	On-Demand	Mild	CAPNS1	52	33
C#C[C@@](C)(CC)NCCC(=O)OCc1ccccc1	ZINC000852101100	CF	On-Demand	Mild	CAPN2	54	33
C#C[C@@](C)(CC)NCCC(=O)OCc1ccccc1	ZINC000852101100	CF	On-Demand	Mild	NPR	59	34
C#C[C@](C)(CC)NCCC(=O)OCc1ccccc1	ZINC000852101101	CF	On-Demand	Mild	CAPNS1	52	33
C#C[C@](C)(CC)NCCC(=O)OCc1ccccc1	ZINC000852101101	CF	On-Demand	Mild	CAPN2	54	33
C#C[C@](C)(CC)NCCC(=O)OCc1ccccc1	ZINC000852101101	CF	On-Demand	Mild	NPR	59	34
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101131	FE	On-Demand	Mild	GRIN2B	27	43
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101131	FE	On-Demand	Mild	SIGMAR1	16	46
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101131	FE	On-Demand	Mild	C3AR1	43	41
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101131	FE	On-Demand	Mild	EPHX2	24	42
C#C[C@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101131	FE	On-Demand	Mild	CCR8	57	37
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101132	FE	On-Demand	Mild	GRIN2B	27	43
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101132	FE	On-Demand	Mild	SIGMAR1	16	46
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101132	FE	On-Demand	Mild	C3AR1	43	41
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101132	FE	On-Demand	Mild	EPHX2	24	42
C#C[C@@](C)(CC)NCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000852101132	FE	On-Demand	Mild	CCR8	57	37
C#C[C@@](C)(CC)NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1	ZINC000852101137	EF	On-Demand	Mild	MCHR1	16	42
C#C[C@](C)(CC)NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1	ZINC000852101138	EF	On-Demand	Mild	MCHR1	16	42
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000852101166	GE	On-Demand	Mild	CNR2	17	54
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000852101167	GE	On-Demand	Mild	CNR2	17	54
C#C[C@](C)(CC)N[C@@H](C(=O)OC)c1ccc(C#N)cc1	ZINC000852101189	CE	On-Demand	Mild	CTRB_BOVIN	45	32
C#C[C@](C)(CC)N[C@H](C(=O)OC)c1ccc(C#N)cc1	ZINC000852101190	CE	On-Demand	Mild	CTRB_BOVIN	45	32
C#C[C@@](C)(CC)N[C@H](C(=O)OC)c1ccc(C#N)cc1	ZINC000852101191	CE	On-Demand	Mild	CTRB_BOVIN	45	32
C#C[C@@](C)(CC)N[C@@H](C(=O)OC)c1ccc(C#N)cc1	ZINC000852101193	CE	On-Demand	Mild	CTRB_BOVIN	45	32
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101198	GF	On-Demand	Mild	EPHX2	15	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101198	GF	On-Demand	Mild	TGM2	62	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101198	GF	On-Demand	Mild	F13A1	89	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101198	GF	On-Demand	Mild	NAMPT	31	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101201	GF	On-Demand	Mild	EPHX2	15	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101201	GF	On-Demand	Mild	TGM2	62	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101201	GF	On-Demand	Mild	F13A1	89	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101201	GF	On-Demand	Mild	NAMPT	31	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852101202	DF	On-Demand	Mild	VIPR1	28	45
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101203	GF	On-Demand	Mild	EPHX2	15	42
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101203	GF	On-Demand	Mild	TGM2	62	41
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101203	GF	On-Demand	Mild	F13A1	89	46
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101203	GF	On-Demand	Mild	NAMPT	31	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852101204	DF	On-Demand	Mild	VIPR1	28	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101205	GF	On-Demand	Mild	EPHX2	15	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101205	GF	On-Demand	Mild	TGM2	62	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101205	GF	On-Demand	Mild	F13A1	89	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101205	GF	On-Demand	Mild	NAMPT	31	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852101206	DF	On-Demand	Mild	VIPR1	28	45
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852101208	DF	On-Demand	Mild	VIPR1	28	45
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101210	ED	On-Demand	Mild	SIGMAR1	15	44
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101210	ED	On-Demand	Mild	MMP13	22	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101210	ED	On-Demand	Mild	MMP9	19	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101210	ED	On-Demand	Mild	MMP1	17	40
C#C[C@@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101210	ED	On-Demand	Mild	CACNA1G	34	45
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101212	ED	On-Demand	Mild	SIGMAR1	15	44
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101212	ED	On-Demand	Mild	MMP13	22	40
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101212	ED	On-Demand	Mild	MMP9	19	40
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101212	ED	On-Demand	Mild	MMP1	17	40
C#C[C@](C)(CC)NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852101212	ED	On-Demand	Mild	CACNA1G	34	45
COc1cccc(C[C@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1	ZINC000852101243	GD	On-Demand	Reactive	MTNR1A	42	47
COc1cccc(C[C@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1	ZINC000852101243	GD	On-Demand	Reactive	MTNR1B	42	47
COc1cccc(C[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1	ZINC000852101245	GD	On-Demand	Reactive	MTNR1A	42	47
COc1cccc(C[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1	ZINC000852101245	GD	On-Demand	Reactive	MTNR1B	42	47
C#C[C@@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852101261	DH	On-Demand	Mild	PRNP	42	42
C#C[C@@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852101261	DH	On-Demand	Mild	ROCK2	19	44
C#C[C@@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852101261	DH	On-Demand	Mild	KCNK3	115	43
C#C[C@@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852101261	DH	On-Demand	Mild	KCNK9	70	42
C#C[C@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852101263	DH	On-Demand	Mild	PRNP	42	42
C#C[C@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852101263	DH	On-Demand	Mild	ROCK2	19	44
C#C[C@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852101263	DH	On-Demand	Mild	KCNK3	115	43
C#C[C@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852101263	DH	On-Demand	Mild	KCNK9	70	42
COc1cccc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852101264	GG	On-Demand	Clean	DRD4	46	39
COc1cccc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852101264	GG	On-Demand	Clean	ROCK2	29	41
COc1cccc(C[C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852101264	GG	On-Demand	Clean	SOAT1	17	43
COc1cccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852101266	GG	On-Demand	Clean	DRD4	46	39
COc1cccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852101266	GG	On-Demand	Clean	ROCK2	29	41
COc1cccc(C[C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852101266	GG	On-Demand	Clean	SOAT1	17	43
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852101310	EG	On-Demand	Mild	MPL	45	44
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852101312	EG	On-Demand	Mild	MPL	45	44
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1	ZINC000852101313	CE	On-Demand	Mild	AKR1C3	21	45
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1	ZINC000852101313	CE	On-Demand	Mild	IMDH_CRYPV	55	37
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1	ZINC000852101313	CE	On-Demand	Mild	KCNK3	89	36
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1	ZINC000852101313	CE	On-Demand	Mild	KCNK9	50	36
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1	ZINC000852101315	CE	On-Demand	Mild	AKR1C3	21	45
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1	ZINC000852101315	CE	On-Demand	Mild	IMDH_CRYPV	55	37
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1	ZINC000852101315	CE	On-Demand	Mild	KCNK3	89	36
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1	ZINC000852101315	CE	On-Demand	Mild	KCNK9	50	36
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852101316	DD	On-Demand	Mild	NR2E3	46	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852101318	DD	On-Demand	Mild	NR2E3	46	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852101319	DD	On-Demand	Mild	NR2E3	46	38
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852101321	DD	On-Demand	Mild	NR2E3	46	38
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	ZINC000852101322	GH	On-Demand	Mild	TRPV1	15	42
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	ZINC000852101322	GH	On-Demand	Mild	PRNP	37	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	ZINC000852101322	GH	On-Demand	Mild	NOD2	34	43
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	ZINC000852101323	GH	On-Demand	Mild	TRPV1	15	42
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	ZINC000852101323	GH	On-Demand	Mild	PRNP	37	41
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1	ZINC000852101323	GH	On-Demand	Mild	NOD2	34	43
O=C(NCCC1SCCS1)NCc1ccccc1CN1CCCCCC1	ZINC000852101324	GI	On-Demand	Anodyne	HRH2	25	44
O=C(NC/C=C\c1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852101340	EG	On-Demand	Anodyne	SIGMAR1	31	57
O=C(NC/C=C\c1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852101340	EG	On-Demand	Anodyne	CACNA1I	59	35
O=C(NC/C=C/c1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852101343	EG	On-Demand	Anodyne	SIGMAR1	31	57
O=C(NC/C=C/c1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852101343	EG	On-Demand	Anodyne	CACNA1I	59	35
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	CA2	72	51
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	CA1	66	51
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	CA7	30	42
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	CA5B	43	42
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	CA4	79	51
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	CA5A	49	42
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	CA12	39	42
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	CA9	37	43
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	MTCA1	41	34
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101373	ED	On-Demand	Mild	P96878_MYCTU	46	34
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	CA2	72	51
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	CA1	66	51
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	CA7	30	42
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	CA5B	43	42
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	CA4	79	51
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	CA5A	49	42
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	CA12	39	42
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	CA9	37	43
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	MTCA1	41	34
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852101375	ED	On-Demand	Mild	P96878_MYCTU	46	34
O=C(CON=Cc1cccs1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852101397	IF	On-Demand	Mild	TRY2_BOVIN	56	39
O=C(CON=Cc1cccs1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852101397	IF	On-Demand	Mild	F13A1	48	41
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCOC)c1	ZINC000852101419	DD	On-Demand	Mild	ROCK2	24	42
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCCOC)c1	ZINC000852101419	DD	On-Demand	Mild	PDS	67	38
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCOC)c1	ZINC000852101420	DD	On-Demand	Mild	ROCK2	24	42
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCCOC)c1	ZINC000852101420	DD	On-Demand	Mild	PDS	67	38
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000852101460	DE	On-Demand	Mild	KCNMA1	21	47
C#C[C@](C)(CC)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000852101461	DE	On-Demand	Mild	KCNMA1	21	47
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc2ccccc2c1	ZINC000852101468	CH	On-Demand	Mild	IMDH_CRYPV	33	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1	ZINC000852101469	CH	On-Demand	Mild	IMDH_CRYPV	33	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc2ccccc2c1	ZINC000852101470	CH	On-Demand	Mild	IMDH_CRYPV	33	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1	ZINC000852101471	CH	On-Demand	Mild	IMDH_CRYPV	33	40
C#C[C@](C)(CC)NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852101481	EE	On-Demand	Mild	EPHX2	80	43
C#C[C@@](C)(CC)NCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852101484	EE	On-Demand	Mild	EPHX2	80	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	CA2	50	56
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	CA1	42	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	CA7	22	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	CA4	45	56
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	CA14	24	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	CA12	31	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	CA9	35	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	TTK	26	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101490	DD	On-Demand	Mild	P96878_MYCTU	46	35
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	CA2	50	56
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	CA1	42	44
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	CA7	22	44
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	CA4	45	56
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	CA14	24	44
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	CA12	31	45
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	CA9	35	41
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	TTK	26	42
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101493	DD	On-Demand	Mild	P96878_MYCTU	46	35
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	CA2	50	56
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	CA1	42	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	CA7	22	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	CA4	45	56
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	CA14	24	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	CA12	31	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	CA9	35	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	TTK	26	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101495	DD	On-Demand	Mild	P96878_MYCTU	46	35
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	CA2	50	56
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	CA1	42	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	CA7	22	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	CA4	45	56
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	CA14	24	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	CA12	31	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	CA9	35	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	TTK	26	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852101497	DD	On-Demand	Mild	P96878_MYCTU	46	35
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852101499	DF	On-Demand	Mild	COLA	97	41
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852101501	DF	On-Demand	Mild	COLA	97	41
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852101507	DF	On-Demand	Mild	COLA	97	41
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852101509	DF	On-Demand	Mild	COLA	97	41
COc1cccc(C[C@@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852101523	EG	On-Demand	Anodyne	DRD4	40	30
COc1cccc(C[C@@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852101523	EG	On-Demand	Anodyne	HRH2	23	42
COc1cccc(C[C@@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852101523	EG	On-Demand	Anodyne	MTNR1A	47	42
COc1cccc(C[C@@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852101523	EG	On-Demand	Anodyne	MTNR1B	43	42
COc1cccc(C[C@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852101525	EG	On-Demand	Anodyne	DRD4	40	30
COc1cccc(C[C@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852101525	EG	On-Demand	Anodyne	HRH2	23	42
COc1cccc(C[C@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852101525	EG	On-Demand	Anodyne	MTNR1A	47	42
COc1cccc(C[C@H](C)NC(=O)NCCC2SCCS2)c1	ZINC000852101525	EG	On-Demand	Anodyne	MTNR1B	43	42
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA2	78	45
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA1	70	45
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA7	43	37
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA5B	57	37
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA4	78	45
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA5A	61	37
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA14	33	41
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA12	42	37
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	CA9	43	40
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	MTCA1	41	35
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101530	DC	On-Demand	Mild	P96878_MYCTU	50	36
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA2	78	45
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA1	70	45
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA7	43	37
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA5B	57	37
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA4	78	45
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA5A	61	37
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA14	33	41
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA12	42	37
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	CA9	43	40
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	MTCA1	41	35
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852101532	DC	On-Demand	Mild	P96878_MYCTU	50	36
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101542	EC	On-Demand	Mild	CA2	54	44
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101542	EC	On-Demand	Mild	CA1	50	44
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101542	EC	On-Demand	Mild	CA5B	40	35
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101542	EC	On-Demand	Mild	CA4	55	44
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101542	EC	On-Demand	Mild	CA5A	46	35
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101542	EC	On-Demand	Mild	CA12	39	41
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101542	EC	On-Demand	Mild	CA9	35	41
C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101542	EC	On-Demand	Mild	P96878_MYCTU	36	41
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852101543	DE	On-Demand	Mild	TAAR1	19	43
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852101543	DE	On-Demand	Mild	AKR1C2	17	42
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101544	EC	On-Demand	Mild	CA2	54	44
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101544	EC	On-Demand	Mild	CA1	50	44
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101544	EC	On-Demand	Mild	CA5B	40	35
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101544	EC	On-Demand	Mild	CA4	55	44
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101544	EC	On-Demand	Mild	CA5A	46	35
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101544	EC	On-Demand	Mild	CA12	39	41
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101544	EC	On-Demand	Mild	CA9	35	41
C#C[C@](C)(CC)NCC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852101544	EC	On-Demand	Mild	P96878_MYCTU	36	41
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852101545	DE	On-Demand	Mild	TAAR1	19	43
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852101545	DE	On-Demand	Mild	AKR1C2	17	42
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852101550	DD	On-Demand	Mild	TAAR1	19	43
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852101550	DD	On-Demand	Mild	AKR1C2	18	44
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852101552	DD	On-Demand	Mild	TAAR1	19	43
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852101552	DD	On-Demand	Mild	AKR1C2	18	44
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852101555	CD	On-Demand	Reactive	KCNK3	57	40
C#C[C@@](C)(CC)NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852101555	CD	On-Demand	Reactive	KCNK9	46	40
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852101557	CD	On-Demand	Reactive	KCNK3	57	40
C#C[C@](C)(CC)NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852101557	CD	On-Demand	Reactive	KCNK9	46	40
C#C[C@](C)(CC)NCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852101559	GH	On-Demand	Mild	KCNK3	108	41
C#C[C@](C)(CC)NCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852101559	GH	On-Demand	Mild	KCNK9	72	38
C#C[C@@](C)(CC)NCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852101561	GH	On-Demand	Mild	KCNK3	108	41
C#C[C@@](C)(CC)NCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852101561	GH	On-Demand	Mild	KCNK9	72	38
C#C[C@](C)(CC)NCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852101563	GH	On-Demand	Mild	KCNK3	108	41
C#C[C@](C)(CC)NCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852101563	GH	On-Demand	Mild	KCNK9	72	38
C#C[C@@](C)(CC)NCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852101565	GH	On-Demand	Mild	KCNK3	108	41
C#C[C@@](C)(CC)NCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852101565	GH	On-Demand	Mild	KCNK9	72	38
C#C[C@@](C)(CC)NCC(=O)NC(=O)Nc1ccc(OC)cc1	ZINC000852101575	DD	On-Demand	Mild	MTNR1B	15	41
C#C[C@](C)(CC)NCC(=O)NC(=O)Nc1ccc(OC)cc1	ZINC000852101576	DD	On-Demand	Mild	MTNR1B	15	41
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)OC)c1	ZINC000852101578	CD	On-Demand	Mild	KCNK3	85	34
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(=O)OC)c1	ZINC000852101578	CD	On-Demand	Mild	KCNK9	61	34
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)OC)c1	ZINC000852101580	CD	On-Demand	Mild	KCNK3	85	34
C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(=O)OC)c1	ZINC000852101580	CD	On-Demand	Mild	KCNK9	61	34
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(N2CCCC2)cc1C	ZINC000852101582	DF	On-Demand	Mild	KCNQ2	45	35
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1	ZINC000852101583	CE	On-Demand	Mild	MTNR1A	28	45
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1	ZINC000852101583	CE	On-Demand	Mild	MTNR1B	26	45
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1	ZINC000852101583	CE	On-Demand	Mild	CA9	19	41
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1	ZINC000852101584	CE	On-Demand	Mild	MTNR1A	28	45
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1	ZINC000852101584	CE	On-Demand	Mild	MTNR1B	26	45
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(OC)cc1	ZINC000852101584	CE	On-Demand	Mild	CA9	19	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(N2CCCC2)cc1C	ZINC000852101585	DF	On-Demand	Mild	KCNQ2	45	35
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852101604	DD	On-Demand	Mild	KCNK3	91	36
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852101604	DD	On-Demand	Mild	KCNK9	61	35
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA2	116	61
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA6	19	43
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA1	97	61
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA7	64	52
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA13	28	43
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA5B	55	52
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA4	78	61
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA5A	56	52
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA14	55	44
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA12	69	51
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CA9	78	52
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	CYNT	48	52
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	NCE103	24	47
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	MTCA1	35	43
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	P96878_MYCTU	47	47
C#C[C@@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101605	EC	On-Demand	Mild	A6YCJ1_9METZ	26	49
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852101606	DD	On-Demand	Mild	KCNK3	91	36
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852101606	DD	On-Demand	Mild	KCNK9	61	35
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA2	116	61
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA6	19	43
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA1	97	61
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA7	64	52
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA13	28	43
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA5B	55	52
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA4	78	61
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA5A	56	52
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA14	55	44
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA12	69	51
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CA9	78	52
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	CYNT	48	52
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	NCE103	24	47
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	MTCA1	35	43
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	P96878_MYCTU	47	47
C#C[C@](C)(CC)NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852101607	EC	On-Demand	Mild	A6YCJ1_9METZ	26	49
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852101608	DD	On-Demand	Mild	KCNK3	91	36
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852101608	DD	On-Demand	Mild	KCNK9	61	35
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852101610	DD	On-Demand	Mild	KCNK3	91	36
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852101610	DD	On-Demand	Mild	KCNK9	61	35
C#C[C@@](C)(CC)NCC(=O)NCc1c(C)nn(-c2ccccc2)c1C	ZINC000852101651	EE	On-Demand	Mild	P2RX7	28	57
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000852101652	GE	On-Demand	Mild	TGM2	65	43
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000852101652	GE	On-Demand	Mild	F13A1	93	47
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000852101652	GE	On-Demand	Mild	NAMPT	31	44
C#C[C@](C)(CC)NCC(=O)NCc1c(C)nn(-c2ccccc2)c1C	ZINC000852101653	EE	On-Demand	Mild	P2RX7	28	57
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000852101655	GE	On-Demand	Mild	TGM2	65	43
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000852101655	GE	On-Demand	Mild	F13A1	93	47
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000852101655	GE	On-Demand	Mild	NAMPT	31	44
C#C[C@](C)(CC)NCC(=O)NCCCOc1cccc(C)c1	ZINC000852101661	DE	On-Demand	Mild	HRH2	39	42
C#C[C@@](C)(CC)NCC(=O)NCCCOc1cccc(C)c1	ZINC000852101662	DE	On-Demand	Mild	HRH2	39	42
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(F)cc1C(F)(F)F	ZINC000852101699	EF	On-Demand	Mild	P2RX7	45	49
C#C[C@](C)(CC)NCC(=O)NCc1ccc(F)cc1C(F)(F)F	ZINC000852101700	EF	On-Demand	Mild	P2RX7	45	49
C#C[C@@](C)(CC)NCC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000852101729	EF	On-Demand	Mild	HRH2	23	42
C#C[C@@](C)(CC)NCC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000852101729	EF	On-Demand	Mild	GALR3	40	30
C#C[C@@](C)(CC)NCC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000852101729	EF	On-Demand	Mild	PDS	49	44
C#C[C@](C)(CC)NCC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000852101730	EF	On-Demand	Mild	HRH2	23	42
C#C[C@](C)(CC)NCC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000852101730	EF	On-Demand	Mild	GALR3	40	30
C#C[C@](C)(CC)NCC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000852101730	EF	On-Demand	Mild	PDS	49	44
C#C[C@@](C)(CC)NCC(=O)NCCOc1cccc(F)c1	ZINC000852101751	CD	On-Demand	Mild	MTNR1A	17	40
C#C[C@](C)(CC)NCC(=O)NCCOc1cccc(F)c1	ZINC000852101752	CD	On-Demand	Mild	MTNR1A	17	40
C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC	ZINC000852101757	EF	On-Demand	Mild	DPP4	20	44
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC	ZINC000852101758	EF	On-Demand	Mild	DPP4	20	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852101773	ED	On-Demand	Mild	MC4R	49	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852101773	ED	On-Demand	Mild	KCNQ2	50	33
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852101774	ED	On-Demand	Mild	MC4R	49	40
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852101774	ED	On-Demand	Mild	KCNQ2	50	33
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852101775	ED	On-Demand	Mild	MC4R	49	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852101775	ED	On-Demand	Mild	KCNQ2	50	33
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852101776	ED	On-Demand	Mild	MC4R	49	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852101776	ED	On-Demand	Mild	KCNQ2	50	33
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	CHRM2	17	46
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	CHRM1	17	46
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	DRD2	21	49
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	DRD4	46	49
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	ACHE	46	45
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	DRD3	15	49
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	CHRM3	25	46
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	LTA4H	18	42
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	SIGMAR1	48	55
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	SSTR5	55	38
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	CCR3	24	42
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	SLC6A5	23	43
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	EPHX2	16	44
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	MCHR1	46	48
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	CACNA1G	36	43
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	CCR8	19	40
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	BIRC2	83	45
C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101777	EF	On-Demand	Mild	BIRC8	44	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	CHRM2	17	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	CHRM1	17	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	DRD2	21	49
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	DRD4	46	49
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	ACHE	46	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	DRD3	15	49
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	CHRM3	25	46
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	LTA4H	18	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	SIGMAR1	48	55
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	SSTR5	55	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	CCR3	24	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	SLC6A5	23	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	EPHX2	16	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	MCHR1	46	48
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	CACNA1G	36	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	CCR8	19	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	BIRC2	83	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101778	EF	On-Demand	Mild	BIRC8	44	34
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	CHRM2	17	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	CHRM1	17	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	DRD2	21	49
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	DRD4	46	49
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	ACHE	46	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	DRD3	15	49
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	CHRM3	25	46
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	LTA4H	18	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	SIGMAR1	48	55
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	SSTR5	55	38
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	CCR3	24	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	SLC6A5	23	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	EPHX2	16	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	MCHR1	46	48
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	CACNA1G	36	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	CCR8	19	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	BIRC2	83	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101779	EF	On-Demand	Mild	BIRC8	44	34
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	CHRM2	17	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	CHRM1	17	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	DRD2	21	49
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	DRD4	46	49
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	ACHE	46	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	DRD3	15	49
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	CHRM3	25	46
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	LTA4H	18	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	SIGMAR1	48	55
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	SSTR5	55	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	CCR3	24	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	SLC6A5	23	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	EPHX2	16	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	MCHR1	46	48
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	CACNA1G	36	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	CCR8	19	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	BIRC2	83	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852101780	EF	On-Demand	Mild	BIRC8	44	34
C#C[C@](C)(CC)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000852101827	FD	On-Demand	Mild	PTAFR	38	49
C#C[C@@](C)(CC)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000852101828	FD	On-Demand	Mild	PTAFR	38	49
C#C[C@@](C)(CC)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000852101829	FD	On-Demand	Mild	PTAFR	38	49
C#C[C@](C)(CC)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000852101830	FD	On-Demand	Mild	PTAFR	38	49
C#C[C@@](C)(CC)NCCc1nc(O)c2ccccc2n1	ZINC000852101845	CE	On-Demand	Mild	METG	41	34
C#C[C@](C)(CC)NCCc1nc(O)c2ccccc2n1	ZINC000852101846	CE	On-Demand	Mild	METG	41	34
C#C[C@](C)(CC)NCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852101872	CE	On-Demand	Mild	EPHX2	55	47
C#C[C@@](C)(CC)NCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852101873	CE	On-Demand	Mild	EPHX2	55	47
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCC)c1	ZINC000852101876	CE	On-Demand	Mild	ROCK2	18	41
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCC)c1	ZINC000852101876	CE	On-Demand	Mild	PDS	88	39
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCC)c1	ZINC000852101877	CE	On-Demand	Mild	ROCK2	18	41
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCC)c1	ZINC000852101877	CE	On-Demand	Mild	PDS	88	39
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852101879	DF	On-Demand	Mild	P2RY1	56	38
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852101879	DF	On-Demand	Mild	EPHX2	51	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852101880	DF	On-Demand	Mild	P2RY1	56	38
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852101880	DF	On-Demand	Mild	EPHX2	51	41
C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(O)ccc12	ZINC000852101881	CE	On-Demand	Mild	HSD17B3	42	62
C#C[C@](C)(CC)NCc1cc(=O)oc2cc(O)ccc12	ZINC000852101882	CE	On-Demand	Mild	HSD17B3	42	62
COC(=O)N(C)CCNC(=O)NCc1ccccc1CN1CCCCCC1	ZINC000852101885	GF	On-Demand	Anodyne	HRH2	26	44
O=C(NCc1ncccn1)NCc1ccccc1CN1CCCCCC1	ZINC000852101894	FF	On-Demand	Anodyne	HRH2	26	44
O=C(NCc1ncccn1)NCc1ccccc1CN1CCCCCC1	ZINC000852101894	FF	On-Demand	Anodyne	HNMT	63	35
C#C[C@@](C)(CC)NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC	ZINC000852101905	EF	On-Demand	Mild	DPP4	20	44
C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC	ZINC000852101908	EF	On-Demand	Mild	DPP4	20	44
C#C[C@](C)(CC)NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000852101914	GF	On-Demand	Mild	KCNQ2	29	41
C#C[C@](C)(CC)NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000852101914	GF	On-Demand	Mild	TEK	16	40
C#C[C@@](C)(CC)NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000852101916	GF	On-Demand	Mild	KCNQ2	29	41
C#C[C@@](C)(CC)NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000852101916	GF	On-Demand	Mild	TEK	16	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000852101923	CF	On-Demand	Mild	IMDH_CRYPV	16	45
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000852101925	CF	On-Demand	Mild	IMDH_CRYPV	16	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852101944	EE	On-Demand	Mild	MTOR	51	39
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852101944	EE	On-Demand	Mild	STAT6	54	36
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852101946	EE	On-Demand	Mild	MTOR	51	39
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852101946	EE	On-Demand	Mild	STAT6	54	36
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852101949	EE	On-Demand	Mild	MTOR	51	39
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852101949	EE	On-Demand	Mild	STAT6	54	36
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852101951	EE	On-Demand	Mild	MTOR	51	39
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852101951	EE	On-Demand	Mild	STAT6	54	36
C#C[C@@](C)(CC)NCc1nc2cc(S(=O)(=O)CC)ccc2o1	ZINC000852101953	DF	On-Demand	Mild	NPY5R	17	54
C#C[C@](C)(CC)NCc1nc2cc(S(=O)(=O)CC)ccc2o1	ZINC000852101955	DF	On-Demand	Mild	NPY5R	17	54
C#C[C@@](C)(CC)NCCCS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000852101961	EE	On-Demand	Mild	CA12	15	40
C#C[C@](C)(CC)NCCCS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000852101962	EE	On-Demand	Mild	CA12	15	40
C#C[C@](C)(CC)NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	ZINC000852101963	DG	On-Demand	Mild	UTS2	41	33
C#C[C@@](C)(CC)NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	ZINC000852101964	DG	On-Demand	Mild	UTS2	41	33
C#C[C@@](C)(CC)NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1	ZINC000852101965	DG	On-Demand	Mild	UTS2	41	33
C#C[C@](C)(CC)NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1	ZINC000852101966	DG	On-Demand	Mild	UTS2	41	33
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101981	GE	On-Demand	Mild	LPL	47	38
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101981	GE	On-Demand	Mild	EPHX2	19	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101981	GE	On-Demand	Mild	TGM2	67	46
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101981	GE	On-Demand	Mild	F13A1	95	48
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101981	GE	On-Demand	Mild	NAMPT	32	47
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101983	GE	On-Demand	Mild	LPL	47	38
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101983	GE	On-Demand	Mild	EPHX2	19	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101983	GE	On-Demand	Mild	TGM2	67	46
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101983	GE	On-Demand	Mild	F13A1	95	48
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000852101983	GE	On-Demand	Mild	NAMPT	32	47
C#C[C@](C)(CC)NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852101996	EE	On-Demand	Mild	VIPR1	25	40
C#C[C@@](C)(CC)NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852101997	EE	On-Demand	Mild	VIPR1	25	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852102004	DD	On-Demand	Mild	MTOR	61	38
C#C[C@](C)(CC)NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852102004	DD	On-Demand	Mild	STAT6	54	35
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852102005	DD	On-Demand	Mild	MTOR	61	38
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852102005	DD	On-Demand	Mild	STAT6	54	35
C#C[C@](C)(CC)NCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852102007	EG	On-Demand	Mild	VIPR1	34	55
C#C[C@@](C)(CC)NCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852102008	EG	On-Demand	Mild	VIPR1	34	55
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA2	138	59
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA6	28	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA1	123	55
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA7	62	58
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA13	26	43
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA5B	64	48
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA4	113	59
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA5A	69	48
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA14	53	58
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA12	81	58
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CA9	89	58
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	CYNT	53	47
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	MTCA1	57	45
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102010	DC	On-Demand	Mild	P96878_MYCTU	71	45
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA2	138	59
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA6	28	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA1	123	55
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA7	62	58
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA13	26	43
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA5B	64	48
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA4	113	59
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA5A	69	48
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA14	53	58
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA12	81	58
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CA9	89	58
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	CYNT	53	47
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	MTCA1	57	45
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852102013	DC	On-Demand	Mild	P96878_MYCTU	71	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC	ZINC000852102016	GG	On-Demand	Mild	RAF1	16	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC	ZINC000852102018	GG	On-Demand	Mild	RAF1	16	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC	ZINC000852102019	GG	On-Demand	Mild	RAF1	16	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1OCCOC	ZINC000852102020	GG	On-Demand	Mild	RAF1	16	40
C#C[C@](C)(CC)N[C@@H]1CCN(c2ccccc2OC)C1=O	ZINC000852102041	CE	On-Demand	Mild	HTR1A	48	39
C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccccc2OC)C1=O	ZINC000852102042	CE	On-Demand	Mild	HTR1A	48	39
C#C[C@@](C)(CC)N[C@H]1CCN(c2ccccc2OC)C1=O	ZINC000852102043	CE	On-Demand	Mild	HTR1A	48	39
C#C[C@](C)(CC)N[C@H]1CCN(c2ccccc2OC)C1=O	ZINC000852102044	CE	On-Demand	Mild	HTR1A	48	39
C#C[C@@](C)(CC)NCC(=O)Nc1nc2c(s1)CCCC2	ZINC000852102062	CE	On-Demand	Mild	SLC27A1	36	46
C#C[C@](C)(CC)NCC(=O)Nc1nc2c(s1)CCCC2	ZINC000852102063	CE	On-Demand	Mild	SLC27A1	36	46
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852102070	ED	On-Demand	Mild	NOS2	46	39
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852102071	ED	On-Demand	Mild	NOS2	46	39
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852102072	ED	On-Demand	Mild	NOS2	46	39
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852102073	ED	On-Demand	Mild	NOS2	46	39
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102074	DG	On-Demand	Mild	LCK	17	40
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102074	DG	On-Demand	Mild	CSNK1D	41	45
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102074	DG	On-Demand	Mild	TMPRSS6	41	34
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102075	DG	On-Demand	Mild	LCK	17	40
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102075	DG	On-Demand	Mild	CSNK1D	41	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102075	DG	On-Demand	Mild	TMPRSS6	41	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102076	DG	On-Demand	Mild	LCK	17	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102076	DG	On-Demand	Mild	CSNK1D	41	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102076	DG	On-Demand	Mild	TMPRSS6	41	34
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102077	DG	On-Demand	Mild	LCK	17	40
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102077	DG	On-Demand	Mild	CSNK1D	41	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852102077	DG	On-Demand	Mild	TMPRSS6	41	34
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852102088	DD	On-Demand	Mild	TPSAB1	15	43
C#C[C@](C)(CC)NCC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852102089	DD	On-Demand	Mild	TPSAB1	15	43
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102090	GF	On-Demand	Mild	CA2	16	44
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102090	GF	On-Demand	Mild	CA4	18	41
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102090	GF	On-Demand	Mild	IDO1	27	42
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102090	GF	On-Demand	Mild	MTCA1	21	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102090	GF	On-Demand	Mild	P96878_MYCTU	26	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102091	GF	On-Demand	Mild	CA2	16	44
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102091	GF	On-Demand	Mild	CA4	18	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102091	GF	On-Demand	Mild	IDO1	27	42
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102091	GF	On-Demand	Mild	MTCA1	21	40
C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000852102091	GF	On-Demand	Mild	P96878_MYCTU	26	40
C#C[C@@](C)(CC)NCc1cn(-c2ccc(F)c(Cl)c2)nn1	ZINC000852102111	DF	On-Demand	Mild	MAP3K8	59	39
C#C[C@](C)(CC)NCc1cn(-c2ccc(F)c(Cl)c2)nn1	ZINC000852102112	DF	On-Demand	Mild	MAP3K8	59	39
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102131	GD	On-Demand	Mild	ADORA2B	41	34
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102131	GD	On-Demand	Mild	TGM2	61	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102131	GD	On-Demand	Mild	F13A1	75	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102132	GD	On-Demand	Mild	ADORA2B	41	34
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102132	GD	On-Demand	Mild	TGM2	61	42
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102132	GD	On-Demand	Mild	F13A1	75	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102133	GD	On-Demand	Mild	ADORA2B	41	34
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102133	GD	On-Demand	Mild	TGM2	61	42
C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102133	GD	On-Demand	Mild	F13A1	75	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102134	GD	On-Demand	Mild	ADORA2B	41	34
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102134	GD	On-Demand	Mild	TGM2	61	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852102134	GD	On-Demand	Mild	F13A1	75	42
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA2	107	57
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA6	18	43
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA1	91	57
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA7	59	57
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA13	24	43
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA5B	36	45
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA4	71	55
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA5A	36	45
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA14	54	47
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA12	68	48
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CA9	75	48
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	CYNT	48	51
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	NCE103	19	44
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	MTCA1	34	43
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	P96878_MYCTU	46	43
C#C[C@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102141	FC	On-Demand	Mild	A6YCJ1_9METZ	26	48
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA2	107	57
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA6	18	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA1	91	57
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA7	59	57
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA13	24	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA5B	36	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA4	71	55
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA5A	36	45
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA14	54	47
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA12	68	48
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CA9	75	48
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	CYNT	48	51
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	NCE103	19	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	MTCA1	34	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	P96878_MYCTU	46	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102144	FC	On-Demand	Mild	A6YCJ1_9METZ	26	48
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA2	107	57
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA6	18	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA1	91	57
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA7	59	57
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA13	24	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA5B	36	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA4	71	55
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA5A	36	45
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA14	54	47
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA12	68	48
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CA9	75	48
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	CYNT	48	51
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	NCE103	19	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	MTCA1	34	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	P96878_MYCTU	46	43
C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102146	FC	On-Demand	Mild	A6YCJ1_9METZ	26	48
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA2	107	57
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA6	18	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA1	91	57
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA7	59	57
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA13	24	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA5B	36	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA4	71	55
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA5A	36	45
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA14	54	47
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA12	68	48
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CA9	75	48
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	CYNT	48	51
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	NCE103	19	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	MTCA1	34	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	P96878_MYCTU	46	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102148	FC	On-Demand	Mild	A6YCJ1_9METZ	26	48
C#C[C@@](C)(CC)NCC(=O)NC1CCN(C(C)=O)CC1	ZINC000852102175	CC	On-Demand	Mild	EPHX2	20	41
C#C[C@](C)(CC)NCC(=O)NC1CCN(C(C)=O)CC1	ZINC000852102176	CC	On-Demand	Mild	EPHX2	20	41
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102177	CF	On-Demand	Mild	GRM4	15	45
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102177	CF	On-Demand	Mild	PDE6A	42	34
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102177	CF	On-Demand	Mild	ENPP1	70	34
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102178	CF	On-Demand	Mild	GRM4	15	45
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102178	CF	On-Demand	Mild	PDE6A	42	34
C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102178	CF	On-Demand	Mild	ENPP1	70	34
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852102191	EG	On-Demand	Mild	ROCK1	20	44
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852102191	EG	On-Demand	Mild	ROCK2	15	44
C#C[C@@](C)(CC)NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852102191	EG	On-Demand	Mild	HDAC9	15	52
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852102192	EG	On-Demand	Mild	ROCK1	20	44
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852102192	EG	On-Demand	Mild	ROCK2	15	44
C#C[C@](C)(CC)NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852102192	EG	On-Demand	Mild	HDAC9	15	52
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852102203	CE	On-Demand	Mild	NMBR	40	30
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852102204	CE	On-Demand	Mild	NMBR	40	30
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852102205	CE	On-Demand	Mild	NMBR	40	30
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852102206	CE	On-Demand	Mild	NMBR	40	30
COc1cccc(C[C@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852102207	FE	On-Demand	Anodyne	CALCRL	40	36
COc1cccc(C[C@@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852102208	FE	On-Demand	Anodyne	CALCRL	40	36
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000852102213	GD	On-Demand	Mild	PKM	24	47
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000852102214	GD	On-Demand	Mild	PKM	24	47
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852102219	EE	On-Demand	Mild	MTOR	55	37
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852102219	EE	On-Demand	Mild	STAT6	53	34
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852102220	EE	On-Demand	Mild	MTOR	55	37
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852102220	EE	On-Demand	Mild	STAT6	53	34
C#C[C@](C)(CC)NCC(=O)N(C)CC(=O)Nc1cccc(OC)c1	ZINC000852102223	ED	On-Demand	Mild	MTNR1A	22	46
C#C[C@](C)(CC)NCC(=O)N(C)CC(=O)Nc1cccc(OC)c1	ZINC000852102223	ED	On-Demand	Mild	MTNR1B	28	46
C#C[C@@](C)(CC)NCC(=O)N(C)CC(=O)Nc1cccc(OC)c1	ZINC000852102224	ED	On-Demand	Mild	MTNR1A	22	46
C#C[C@@](C)(CC)NCC(=O)N(C)CC(=O)Nc1cccc(OC)c1	ZINC000852102224	ED	On-Demand	Mild	MTNR1B	28	46
C#C[C@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1	ZINC000852102238	GG	On-Demand	Mild	OPRL1	15	40
C#C[C@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1	ZINC000852102238	GG	On-Demand	Mild	NR2E3	61	35
C#C[C@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1	ZINC000852102238	GG	On-Demand	Mild	AKR1C2	20	40
C#C[C@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1	ZINC000852102238	GG	On-Demand	Mild	KCNK3	47	34
C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1	ZINC000852102239	GG	On-Demand	Mild	OPRL1	15	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1	ZINC000852102239	GG	On-Demand	Mild	NR2E3	61	35
C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1	ZINC000852102239	GG	On-Demand	Mild	AKR1C2	20	40
C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1	ZINC000852102239	GG	On-Demand	Mild	KCNK3	47	34
C#C[C@](C)(CC)NCC(=O)Nc1ccc(N2CCCCC2)nc1	ZINC000852102246	DE	On-Demand	Mild	DGAT1	40	43
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(N2CCCCC2)nc1	ZINC000852102247	DE	On-Demand	Mild	DGAT1	40	43
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852102251	CE	On-Demand	Mild	COLA	114	38
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852102252	CE	On-Demand	Mild	COLA	114	38
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852102253	CE	On-Demand	Mild	COLA	114	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852102254	CE	On-Demand	Mild	COLA	114	38
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OC(C)C)c1	ZINC000852102255	DE	On-Demand	Mild	PDS	60	33
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OC(C)C)c1	ZINC000852102256	DE	On-Demand	Mild	PDS	60	33
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000852102257	GD	On-Demand	Mild	TGM2	52	39
C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000852102257	GD	On-Demand	Mild	F13A1	67	39
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000852102258	GD	On-Demand	Mild	TGM2	52	39
C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000852102258	GD	On-Demand	Mild	F13A1	67	39
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc2[nH]ccc12	ZINC000852102279	CE	On-Demand	Mild	ADRB2	28	61
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc2[nH]ccc12	ZINC000852102279	CE	On-Demand	Mild	ADRB1	29	61
C#C[C@](C)(CC)NC[C@@H](O)COc1cccc2[nH]ccc12	ZINC000852102279	CE	On-Demand	Mild	CYP2D6	25	50
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc2[nH]ccc12	ZINC000852102280	CE	On-Demand	Mild	ADRB2	28	61
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc2[nH]ccc12	ZINC000852102280	CE	On-Demand	Mild	ADRB1	29	61
C#C[C@@](C)(CC)NC[C@@H](O)COc1cccc2[nH]ccc12	ZINC000852102280	CE	On-Demand	Mild	CYP2D6	25	50
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc2[nH]ccc12	ZINC000852102281	CE	On-Demand	Mild	ADRB2	28	61
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc2[nH]ccc12	ZINC000852102281	CE	On-Demand	Mild	ADRB1	29	61
C#C[C@@](C)(CC)NC[C@H](O)COc1cccc2[nH]ccc12	ZINC000852102281	CE	On-Demand	Mild	CYP2D6	25	50
C#C[C@](C)(CC)NC[C@H](O)COc1cccc2[nH]ccc12	ZINC000852102282	CE	On-Demand	Mild	ADRB2	28	61
C#C[C@](C)(CC)NC[C@H](O)COc1cccc2[nH]ccc12	ZINC000852102282	CE	On-Demand	Mild	ADRB1	29	61
C#C[C@](C)(CC)NC[C@H](O)COc1cccc2[nH]ccc12	ZINC000852102282	CE	On-Demand	Mild	CYP2D6	25	50
O=C(NC/C=C/c1ccccc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852102283	EG	On-Demand	Anodyne	SLC6A1	58	32
O=C(NC/C=C\c1ccccc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852102284	EG	On-Demand	Anodyne	SLC6A1	58	32
O=C(NC/C=C\c1ccccc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852102285	EG	On-Demand	Anodyne	SLC6A1	58	32
O=C(NC/C=C/c1ccccc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852102286	EG	On-Demand	Anodyne	SLC6A1	58	32
C#C[C@](C)(CC)N[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000852102349	EE	On-Demand	Mild	MT-ND1	19	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000852102351	EE	On-Demand	Mild	MT-ND1	19	44
C#C[C@@](C)(CC)N[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000852102353	EE	On-Demand	Mild	MT-ND1	19	44
C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1	ZINC000852102355	EE	On-Demand	Mild	MT-ND1	19	44
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA2	105	54
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA6	29	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA1	94	54
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA7	68	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA13	37	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA5B	34	42
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA4	68	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA5A	39	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA14	54	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA12	74	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA9	88	54
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CAH_METTE	26	44
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CYNT	57	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	NCE103	23	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	CA15	18	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	P96878_MYCTU	39	51
C#C[C@@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102426	CD	On-Demand	Mild	A6YCJ1_9METZ	28	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA2	105	54
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA6	29	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA1	94	54
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA7	68	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA13	37	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA5B	34	42
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA4	68	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA5A	39	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA14	54	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA12	74	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA9	88	54
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CAH_METTE	26	44
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CYNT	57	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	NCE103	23	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	CA15	18	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	P96878_MYCTU	39	51
C#C[C@](C)(CC)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852102427	CD	On-Demand	Mild	A6YCJ1_9METZ	28	51
C#C[C@@](C)(CC)NC[C@H](O)COc1cc(C)ccc1Cl	ZINC000852102447	CF	On-Demand	Mild	ADRB2	23	44
C#C[C@@](C)(CC)NC[C@H](O)COc1cc(C)ccc1Cl	ZINC000852102447	CF	On-Demand	Mild	CASR	40	39
C#C[C@@](C)(CC)NC[C@@H](O)COc1cc(C)ccc1Cl	ZINC000852102448	CF	On-Demand	Mild	ADRB2	23	44
C#C[C@@](C)(CC)NC[C@@H](O)COc1cc(C)ccc1Cl	ZINC000852102448	CF	On-Demand	Mild	CASR	40	39
C#C[C@](C)(CC)NC[C@@H](O)COc1cc(C)ccc1Cl	ZINC000852102449	CF	On-Demand	Mild	ADRB2	23	44
C#C[C@](C)(CC)NC[C@@H](O)COc1cc(C)ccc1Cl	ZINC000852102449	CF	On-Demand	Mild	CASR	40	39
C#C[C@](C)(CC)NC[C@H](O)COc1cc(C)ccc1Cl	ZINC000852102450	CF	On-Demand	Mild	ADRB2	23	44
C#C[C@](C)(CC)NC[C@H](O)COc1cc(C)ccc1Cl	ZINC000852102450	CF	On-Demand	Mild	CASR	40	39
COc1cccc(C[C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852102459	FE	On-Demand	Anodyne	DRD4	40	31
COc1cccc(C[C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852102459	FE	On-Demand	Anodyne	MTNR1A	36	41
COc1cccc(C[C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852102459	FE	On-Demand	Anodyne	MTNR1B	37	41
COc1cccc(C[C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852102460	FE	On-Demand	Anodyne	DRD4	40	31
COc1cccc(C[C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852102460	FE	On-Demand	Anodyne	MTNR1A	36	41
COc1cccc(C[C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852102460	FE	On-Demand	Anodyne	MTNR1B	37	41
COc1cccc(C[C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852102461	FE	On-Demand	Anodyne	DRD4	40	31
COc1cccc(C[C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852102461	FE	On-Demand	Anodyne	MTNR1A	36	41
COc1cccc(C[C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852102461	FE	On-Demand	Anodyne	MTNR1B	37	41
COc1cccc(C[C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852102462	FE	On-Demand	Anodyne	DRD4	40	31
COc1cccc(C[C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852102462	FE	On-Demand	Anodyne	MTNR1A	36	41
COc1cccc(C[C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852102462	FE	On-Demand	Anodyne	MTNR1B	37	41
O=C(NCc1ccccc1CN1CCCCCC1)N[C@H]1C=CCC1	ZINC000852102477	EH	On-Demand	Anodyne	SIGMAR1	17	40
O=C(NCc1ccccc1CN1CCCCCC1)N[C@H]1C=CCC1	ZINC000852102477	EH	On-Demand	Anodyne	EPHX2	17	47
O=C(NCc1ccccc1CN1CCCCCC1)N[C@@H]1C=CCC1	ZINC000852102478	EH	On-Demand	Anodyne	SIGMAR1	17	40
O=C(NCc1ccccc1CN1CCCCCC1)N[C@@H]1C=CCC1	ZINC000852102478	EH	On-Demand	Anodyne	EPHX2	17	47
C#C[C@](C)(CC)NCC(=O)Nc1cccnc1Cl	ZINC000852102493	CE	On-Demand	Mild	G2YM83_BOTF4	68	35
C#C[C@@](C)(CC)NCC(=O)Nc1cccnc1Cl	ZINC000852102494	CE	On-Demand	Mild	G2YM83_BOTF4	68	35
C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852102495	DE	On-Demand	Mild	ENPP1	74	35
C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852102496	DE	On-Demand	Mild	ENPP1	74	35
C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852102497	DE	On-Demand	Mild	ENPP1	74	35
C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852102498	DE	On-Demand	Mild	ENPP1	74	35
C#C[C@](C)(CC)NCc1cc(=O)oc2cc(CC)ccc12	ZINC000852102505	CG	On-Demand	Mild	HSD17B3	18	46
C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(CC)ccc12	ZINC000852102506	CG	On-Demand	Mild	HSD17B3	18	46
C#C[C@](C)(CC)NCC(=O)Nc1cccc(-c2csc(C)n2)c1	ZINC000852102514	EG	On-Demand	Mild	HDAC10	17	42
C#C[C@](C)(CC)NCC(=O)Nc1cccc(-c2csc(C)n2)c1	ZINC000852102514	EG	On-Demand	Mild	HDAC3	19	42
C#C[C@](C)(CC)NCC(=O)Nc1cccc(-c2csc(C)n2)c1	ZINC000852102514	EG	On-Demand	Mild	HDAC6	17	42
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(-c2csc(C)n2)c1	ZINC000852102515	EG	On-Demand	Mild	HDAC10	17	42
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(-c2csc(C)n2)c1	ZINC000852102515	EG	On-Demand	Mild	HDAC3	19	42
C#C[C@@](C)(CC)NCC(=O)Nc1cccc(-c2csc(C)n2)c1	ZINC000852102515	EG	On-Demand	Mild	HDAC6	17	42
C#C[C@@](C)(CC)NCCC(=O)Nc1cccc2ccccc12	ZINC000852102518	CH	On-Demand	Mild	KCNJ11	50	35
C#C[C@](C)(CC)NCCC(=O)Nc1cccc2ccccc12	ZINC000852102519	CH	On-Demand	Mild	KCNJ11	50	35
C#C[C@@](C)(CC)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852102520	DE	On-Demand	Mild	KCNMA1	20	47
C#C[C@](C)(CC)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852102521	DE	On-Demand	Mild	KCNMA1	20	47
C#C[C@@](C)(CC)NCC(=O)Nc1nc2ccc(C)cc2s1	ZINC000852102522	DF	On-Demand	Mild	LCK	30	45
C#C[C@@](C)(CC)NCC(=O)Nc1nc2ccc(C)cc2s1	ZINC000852102522	DF	On-Demand	Mild	CSNK1D	52	53
C#C[C@@](C)(CC)NCC(=O)Nc1nc2ccc(C)cc2s1	ZINC000852102522	DF	On-Demand	Mild	PIK3CA	18	41
C#C[C@](C)(CC)NCC(=O)Nc1nc2ccc(C)cc2s1	ZINC000852102523	DF	On-Demand	Mild	LCK	30	45
C#C[C@](C)(CC)NCC(=O)Nc1nc2ccc(C)cc2s1	ZINC000852102523	DF	On-Demand	Mild	CSNK1D	52	53
C#C[C@](C)(CC)NCC(=O)Nc1nc2ccc(C)cc2s1	ZINC000852102523	DF	On-Demand	Mild	PIK3CA	18	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	CHRM2	15	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	CHRM1	16	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	DRD4	37	52
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	CHRM3	23	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	SIGMAR1	39	48
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	CCR3	26	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	CCR2	16	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	MCHR1	27	47
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102530	EE	On-Demand	Mild	BIRC2	90	52
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	CHRM2	15	44
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	CHRM1	16	40
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	DRD4	37	52
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	CHRM3	23	44
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	SIGMAR1	39	48
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	CCR3	26	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	CCR2	16	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	MCHR1	27	47
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102532	EE	On-Demand	Mild	BIRC2	90	52
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	CHRM2	15	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	CHRM1	16	40
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	DRD4	37	52
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	CHRM3	23	44
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	SIGMAR1	39	48
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	CCR3	26	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	CCR2	16	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	MCHR1	27	47
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852102534	EE	On-Demand	Mild	BIRC2	90	52
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	CHRM2	15	44
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	CHRM1	16	40
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	DRD4	37	52
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	CHRM3	23	44
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	SIGMAR1	39	48
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	CCR3	26	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	CCR2	16	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	MCHR1	27	47
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852102536	EE	On-Demand	Mild	BIRC2	90	52
C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C(=O)OCC)cc1	ZINC000852102541	DE	On-Demand	Mild	ACR	65	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102542	FD	On-Demand	Mild	CA2	52	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102542	FD	On-Demand	Mild	CA1	41	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102542	FD	On-Demand	Mild	CA7	30	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102542	FD	On-Demand	Mild	CA14	27	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102542	FD	On-Demand	Mild	CA12	31	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102542	FD	On-Demand	Mild	CYNT	41	35
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102542	FD	On-Demand	Mild	P96878_MYCTU	42	41
C#C[C@](C)(CC)NCC(=O)Nc1ccc(C(=O)OCC)cc1	ZINC000852102543	DE	On-Demand	Mild	ACR	65	38
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102544	FD	On-Demand	Mild	CA2	52	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102544	FD	On-Demand	Mild	CA1	41	42
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102544	FD	On-Demand	Mild	CA7	30	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102544	FD	On-Demand	Mild	CA14	27	43
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102544	FD	On-Demand	Mild	CA12	31	41
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102544	FD	On-Demand	Mild	CYNT	41	35
C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102544	FD	On-Demand	Mild	P96878_MYCTU	42	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102547	FD	On-Demand	Mild	CA2	52	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102547	FD	On-Demand	Mild	CA1	41	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102547	FD	On-Demand	Mild	CA7	30	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102547	FD	On-Demand	Mild	CA14	27	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102547	FD	On-Demand	Mild	CA12	31	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102547	FD	On-Demand	Mild	CYNT	41	35
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102547	FD	On-Demand	Mild	P96878_MYCTU	42	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102549	FD	On-Demand	Mild	CA2	52	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102549	FD	On-Demand	Mild	CA1	41	42
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102549	FD	On-Demand	Mild	CA7	30	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102549	FD	On-Demand	Mild	CA14	27	43
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102549	FD	On-Demand	Mild	CA12	31	41
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102549	FD	On-Demand	Mild	CYNT	41	35
C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852102549	FD	On-Demand	Mild	P96878_MYCTU	42	41
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102561	DG	On-Demand	Mild	GRM4	15	43
C#C[C@@](C)(CC)NCCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102561	DG	On-Demand	Mild	ENPP1	67	33
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102563	DG	On-Demand	Mild	GRM4	15	43
C#C[C@](C)(CC)NCCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852102563	DG	On-Demand	Mild	ENPP1	67	33
C#C[C@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2	ZINC000852102585	GF	On-Demand	Mild	NR2E3	59	32
C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2	ZINC000852102588	GF	On-Demand	Mild	NR2E3	59	32
COC(=O)N(C)CCNC(=O)NCCNC(=O)c1c(F)cccc1F	ZINC000852102599	FC	On-Demand	Anodyne	DAC	21	40
C#C[C@](C)(CC)N[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000852102600	CD	On-Demand	Mild	CTRB_BOVIN	43	30
C#C[C@@](C)(CC)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000852102601	CD	On-Demand	Mild	CTRB_BOVIN	43	30
C#C[C@](C)(CC)N[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000852102602	CD	On-Demand	Mild	CTRB_BOVIN	43	30
C#C[C@@](C)(CC)N[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000852102603	CD	On-Demand	Mild	CTRB_BOVIN	43	30
C#C[C@@](C)(CC)NC[C@H](O)c1cccc(Cl)c1	ZINC000852102738	CF	On-Demand	Mild	ADRB1	30	44
C#C[C@@](C)(CC)NC[C@H](O)c1cccc(Cl)c1	ZINC000852102738	CF	On-Demand	Mild	ADRB3	42	48
C#C[C@@](C)(CC)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852102739	CF	On-Demand	Mild	ADRB1	30	44
C#C[C@@](C)(CC)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852102739	CF	On-Demand	Mild	ADRB3	42	48
C#C[C@](C)(CC)NC[C@H](O)c1cccc(Cl)c1	ZINC000852102740	CF	On-Demand	Mild	ADRB1	30	44
C#C[C@](C)(CC)NC[C@H](O)c1cccc(Cl)c1	ZINC000852102740	CF	On-Demand	Mild	ADRB3	42	48
C#C[C@](C)(CC)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852102741	CF	On-Demand	Mild	ADRB1	30	44
C#C[C@](C)(CC)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852102741	CF	On-Demand	Mild	ADRB3	42	48
C#C[C@@](C)(CC)NCCOc1cccc(S(C)(=O)=O)c1	ZINC000852102794	CD	On-Demand	Mild	NR1H3	44	35
C#C[C@](C)(CC)NCCOc1cccc(S(C)(=O)=O)c1	ZINC000852102795	CD	On-Demand	Mild	NR1H3	44	35
C#C[C@](C)(CC)NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852102812	CF	On-Demand	Mild	MAOA	74	49
C#C[C@](C)(CC)NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852102812	CF	On-Demand	Mild	ACHE	15	48
C#C[C@](C)(CC)NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852102812	CF	On-Demand	Mild	MAOB	57	61
C#C[C@](C)(CC)NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852102812	CF	On-Demand	Mild	BCHE	16	41
C#C[C@@](C)(CC)NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852102813	CF	On-Demand	Mild	MAOA	74	49
C#C[C@@](C)(CC)NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852102813	CF	On-Demand	Mild	ACHE	15	48
C#C[C@@](C)(CC)NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852102813	CF	On-Demand	Mild	MAOB	57	61
C#C[C@@](C)(CC)NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852102813	CF	On-Demand	Mild	BCHE	16	41
O=C(NC/C=C\c1ccccc1)N1CCC(c2ccon2)CC1	ZINC000852102838	DG	On-Demand	Anodyne	SMO	34	42
O=C(NC/C=C/c1ccccc1)N1CCC(c2ccon2)CC1	ZINC000852102839	DG	On-Demand	Anodyne	SMO	34	42
O=C(NC/C=C\c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852102854	EG	On-Demand	Anodyne	SCN2A	18	44
O=C(NC/C=C\c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852102854	EG	On-Demand	Anodyne	SCN10A	19	44
O=C(NC/C=C\c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852102854	EG	On-Demand	Anodyne	NAMPT	24	40
O=C(NC/C=C/c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852102855	EG	On-Demand	Anodyne	SCN2A	18	44
O=C(NC/C=C/c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852102855	EG	On-Demand	Anodyne	SCN10A	19	44
O=C(NC/C=C/c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852102855	EG	On-Demand	Anodyne	NAMPT	24	40
C#C[C@@](C)(CC)NCC(=O)NCCOc1cccc(Cl)c1	ZINC000852102860	DE	On-Demand	Mild	MTNR1A	18	40
C#C[C@@](C)(CC)NCC(=O)NCCOc1cccc(Cl)c1	ZINC000852102860	DE	On-Demand	Mild	PDS	55	38
C#C[C@](C)(CC)NCC(=O)NCCOc1cccc(Cl)c1	ZINC000852102861	DE	On-Demand	Mild	MTNR1A	18	40
C#C[C@](C)(CC)NCC(=O)NCCOc1cccc(Cl)c1	ZINC000852102861	DE	On-Demand	Mild	PDS	55	38
C#C[C@@](C)(CC)NCC(=O)NCc1cccc(OCC(F)(F)F)c1	ZINC000852102928	EF	On-Demand	Mild	PDS	70	39
C#C[C@](C)(CC)NCC(=O)NCc1cccc(OCC(F)(F)F)c1	ZINC000852102929	EF	On-Demand	Mild	PDS	70	39
O=C(NC/C=C\c1ccccc1)NC1CCC2(CC1)CC2(F)F	ZINC000852102946	DH	On-Demand	Anodyne	EPHX2	15	41
O=C(NC/C=C/c1ccccc1)NC1CCC2(CC1)CC2(F)F	ZINC000852102947	DH	On-Demand	Anodyne	EPHX2	15	41
C#C[C@@](C)(CC)NCC(=O)NCc1cccnc1	ZINC000852102952	BD	On-Demand	Mild	NAMPT	71	42
C#C[C@](C)(CC)NCC(=O)NCc1cccnc1	ZINC000852102953	BD	On-Demand	Mild	NAMPT	71	42
O=C(NC/C=C\c1ccccc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852103022	CF	On-Demand	Anodyne	RBP4	44	32
O=C(NC/C=C/c1ccccc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852103023	CF	On-Demand	Anodyne	RBP4	44	32
O=C(NC/C=C\c1ccccc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852103024	CF	On-Demand	Anodyne	RBP4	44	32
O=C(NC/C=C/c1ccccc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852103025	CF	On-Demand	Anodyne	RBP4	44	32
C#C[C@](C)(CC)NCc1cc(=O)c(O)co1	ZINC000852103098	BD	On-Demand	Mild	DAO	19	40
C#C[C@@](C)(CC)NCc1cc(=O)c(O)co1	ZINC000852103099	BD	On-Demand	Mild	DAO	19	40
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	CTSD	84	44
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	PGC	59	39
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	PAPA1_CARPA	50	47
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	CTSK	21	48
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	CTSL	16	47
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	PGA	41	42
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	BACE2	43	36
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	TACR3	16	41
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	REN	75	48
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	REN1	29	46
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	CAPN1	15	40
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	BACE1	63	43
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	FPR1	53	41
C#C[C@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103104	FF	On-Demand	Mild	CTRB_BOVIN	29	41
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	CTSD	84	44
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	PGC	59	39
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	PAPA1_CARPA	50	47
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	CTSK	21	48
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	CTSL	16	47
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	PGA	41	42
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	BACE2	43	36
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	TACR3	16	41
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	REN	75	48
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	REN1	29	46
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	CAPN1	15	40
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	BACE1	63	43
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	FPR1	53	41
C#C[C@@](C)(CC)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852103105	FF	On-Demand	Mild	CTRB_BOVIN	29	41
C#C[C@](C)(CC)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852103140	BG	On-Demand	Mild	COLA	61	32
C#C[C@@](C)(CC)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852103141	BG	On-Demand	Mild	COLA	61	32
C#C[C@@](C)(CC)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852103142	BG	On-Demand	Mild	COLA	61	32
C#C[C@](C)(CC)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852103143	BG	On-Demand	Mild	COLA	61	32
CCO[C@@H]1C[C@@H](NC(=O)NC/C=C\c2ccccc2)C1	ZINC000852103162	CF	On-Demand	Anodyne	TIMP3	53	32
CCO[C@@H]1C[C@@H](NC(=O)NC/C=C/c2ccccc2)C1	ZINC000852103163	CF	On-Demand	Anodyne	TIMP3	53	32
C#C[C@@](C)(CC)NCCCc1cccc(OC)c1	ZINC000852103164	BG	On-Demand	Mild	MTNR1A	23	52
C#C[C@@](C)(CC)NCCCc1cccc(OC)c1	ZINC000852103164	BG	On-Demand	Mild	MTNR1B	26	52
C#C[C@](C)(CC)NCCCc1cccc(OC)c1	ZINC000852103165	BG	On-Demand	Mild	MTNR1A	23	52
C#C[C@](C)(CC)NCCCc1cccc(OC)c1	ZINC000852103165	BG	On-Demand	Mild	MTNR1B	26	52
C#C[C@](C)(CC)NCCC(=O)N1CCC[C@@H]1C	ZINC000852103168	BD	On-Demand	Mild	DPP4	15	41
C#C[C@@](C)(CC)NCCC(=O)N1CCC[C@@H]1C	ZINC000852103169	BD	On-Demand	Mild	DPP4	15	41
C#C[C@@](C)(CC)NCCC(=O)N1CCC[C@H]1C	ZINC000852103170	BD	On-Demand	Mild	DPP4	15	41
C#C[C@](C)(CC)NCCC(=O)N1CCC[C@H]1C	ZINC000852103171	BD	On-Demand	Mild	DPP4	15	41
O=C(NC/C=C/c1ccccc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852103176	FI	On-Demand	Anodyne	KCNH2	42	44
O=C(NC/C=C\c1ccccc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852103177	FI	On-Demand	Anodyne	KCNH2	42	44
C#C[C@](C)(CC)NCC(=O)N(C)CCCOc1ccccc1	ZINC000852103178	DE	On-Demand	Mild	LTA4H	26	44
C#C[C@@](C)(CC)NCC(=O)N(C)CCCOc1ccccc1	ZINC000852103179	DE	On-Demand	Mild	LTA4H	26	44
C#C[C@](C)(CC)NCCC(=O)NCc1ccc(OC)cc1OC	ZINC000852103208	DE	On-Demand	Mild	MTNR1A	66	39
C#C[C@](C)(CC)NCCC(=O)NCc1ccc(OC)cc1OC	ZINC000852103208	DE	On-Demand	Mild	MTNR1B	55	38
C#C[C@@](C)(CC)NCCC(=O)NCc1ccc(OC)cc1OC	ZINC000852103209	DE	On-Demand	Mild	MTNR1A	66	39
C#C[C@@](C)(CC)NCCC(=O)NCc1ccc(OC)cc1OC	ZINC000852103209	DE	On-Demand	Mild	MTNR1B	55	38
C#C[C@@](C)(CC)NCc1cc2ccccc2n(C)c1=O	ZINC000852103231	CE	On-Demand	Mild	NPSR1	31	43
C#C[C@](C)(CC)NCc1cc2ccccc2n(C)c1=O	ZINC000852103232	CE	On-Demand	Mild	NPSR1	31	43
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000852103239	DF	On-Demand	Mild	ADRB2	37	51
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000852103239	DF	On-Demand	Mild	ADRB1	57	42
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000852103239	DF	On-Demand	Mild	CASR	43	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000852103239	DF	On-Demand	Mild	CYP2D6	25	41
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000852103240	DF	On-Demand	Mild	ADRB2	37	51
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000852103240	DF	On-Demand	Mild	ADRB1	57	42
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000852103240	DF	On-Demand	Mild	CASR	43	40
C#C[C@](C)(CC)NC[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000852103240	DF	On-Demand	Mild	CYP2D6	25	41
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1C(F)(F)F	ZINC000852103241	DF	On-Demand	Mild	ADRB2	37	51
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1C(F)(F)F	ZINC000852103241	DF	On-Demand	Mild	ADRB1	57	42
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1C(F)(F)F	ZINC000852103241	DF	On-Demand	Mild	CASR	43	40
C#C[C@](C)(CC)NC[C@H](O)COc1ccccc1C(F)(F)F	ZINC000852103241	DF	On-Demand	Mild	CYP2D6	25	41
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1C(F)(F)F	ZINC000852103242	DF	On-Demand	Mild	ADRB2	37	51
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1C(F)(F)F	ZINC000852103242	DF	On-Demand	Mild	ADRB1	57	42
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1C(F)(F)F	ZINC000852103242	DF	On-Demand	Mild	CASR	43	40
C#C[C@@](C)(CC)NC[C@H](O)COc1ccccc1C(F)(F)F	ZINC000852103242	DF	On-Demand	Mild	CYP2D6	25	41
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(SC)cc1	ZINC000852103286	CF	On-Demand	Mild	ADRB2	34	46
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(SC)cc1	ZINC000852103286	CF	On-Demand	Mild	ADRB1	31	40
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(SC)cc1	ZINC000852103287	CF	On-Demand	Mild	ADRB2	34	46
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(SC)cc1	ZINC000852103287	CF	On-Demand	Mild	ADRB1	31	40
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(SC)cc1	ZINC000852103288	CF	On-Demand	Mild	ADRB2	34	46
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(SC)cc1	ZINC000852103288	CF	On-Demand	Mild	ADRB1	31	40
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(SC)cc1	ZINC000852103289	CF	On-Demand	Mild	ADRB2	34	46
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(SC)cc1	ZINC000852103289	CF	On-Demand	Mild	ADRB1	31	40
C#C[C@@](C)(CC)NCCc1c(C)nc2ccccn2c1=O	ZINC000852103319	CD	On-Demand	Mild	ADRA2A	22	42
C#C[C@@](C)(CC)NCCc1c(C)nc2ccccn2c1=O	ZINC000852103319	CD	On-Demand	Mild	ADRA2B	25	42
C#C[C@](C)(CC)NCCc1c(C)nc2ccccn2c1=O	ZINC000852103320	CD	On-Demand	Mild	ADRA2A	22	42
C#C[C@](C)(CC)NCCc1c(C)nc2ccccn2c1=O	ZINC000852103320	CD	On-Demand	Mild	ADRA2B	25	42
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	HTR1A	79	51
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	DRD2	52	51
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	DRD4	35	45
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	ADRA1D	29	43
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	HTR2A	58	51
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	ADRA1A	32	45
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	ADRA1B	18	45
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	DRD3	67	45
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	HTR7	85	49
C#C[C@@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103358	CF	On-Demand	Mild	HNMT	40	35
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	HTR1A	79	51
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	DRD2	52	51
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	DRD4	35	45
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	ADRA1D	29	43
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	HTR2A	58	51
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	ADRA1A	32	45
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	ADRA1B	18	45
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	DRD3	67	45
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	HTR7	85	49
C#C[C@](C)(CC)NCCCN1CCN(c2ccccc2)CC1	ZINC000852103359	CF	On-Demand	Mild	HNMT	40	35
C#C[C@@](C)(CC)NCc1nc2cc(C(=O)OCC)ccc2n1CC	ZINC000852103376	EG	On-Demand	Mild	SLC27A1	15	41
C#C[C@](C)(CC)NCc1nc2cc(C(=O)OCC)ccc2n1CC	ZINC000852103377	EG	On-Demand	Mild	SLC27A1	15	41
C#C[C@@](C)(CC)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852103406	DF	On-Demand	Mild	DRD4	20	45
C#C[C@@](C)(CC)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852103407	DF	On-Demand	Mild	DRD4	20	45
C#C[C@](C)(CC)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852103408	DF	On-Demand	Mild	DRD4	20	45
C#C[C@](C)(CC)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852103409	DF	On-Demand	Mild	DRD4	20	45
NC(=O)CC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCCCC1	ZINC000852103467	GD	On-Demand	Reactive	HCN1	56	32
NC(=O)CC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCCCC1	ZINC000852103467	GD	On-Demand	Reactive	HCN4	48	31
C#C[C@](C)(CC)NCCC(=O)N1CCCc2ccccc21	ZINC000852103519	CF	On-Demand	Mild	AVPR2	46	47
C#C[C@@](C)(CC)NCCC(=O)N1CCCc2ccccc21	ZINC000852103520	CF	On-Demand	Mild	AVPR2	46	47
C#C[C@](C)(CC)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852103642	CE	On-Demand	Mild	CTSK	18	42
C#C[C@@](C)(CC)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852103643	CE	On-Demand	Mild	CTSK	18	42
C#C[C@@](C)(CC)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852103644	CE	On-Demand	Mild	CTSK	18	42
C#C[C@](C)(CC)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852103645	CE	On-Demand	Mild	CTSK	18	42
C#C[C@@](C)(CC)NCCC(=O)Nc1cccnc1	ZINC000852103646	BD	On-Demand	Mild	NAMPT	26	45
C#C[C@](C)(CC)NCCC(=O)Nc1cccnc1	ZINC000852103647	BD	On-Demand	Mild	NAMPT	26	45
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CCOC)cc1	ZINC000852103741	DE	On-Demand	Mild	ADRB2	49	59
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CCOC)cc1	ZINC000852103741	DE	On-Demand	Mild	ADRB1	60	59
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc(CCOC)cc1	ZINC000852103741	DE	On-Demand	Mild	ADRB3	41	43
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CCOC)cc1	ZINC000852103742	DE	On-Demand	Mild	ADRB2	49	59
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CCOC)cc1	ZINC000852103742	DE	On-Demand	Mild	ADRB1	60	59
C#C[C@](C)(CC)NC[C@H](O)COc1ccc(CCOC)cc1	ZINC000852103742	DE	On-Demand	Mild	ADRB3	41	43
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CCOC)cc1	ZINC000852103743	DE	On-Demand	Mild	ADRB2	49	59
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CCOC)cc1	ZINC000852103743	DE	On-Demand	Mild	ADRB1	60	59
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc(CCOC)cc1	ZINC000852103743	DE	On-Demand	Mild	ADRB3	41	43
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CCOC)cc1	ZINC000852103744	DE	On-Demand	Mild	ADRB2	49	59
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CCOC)cc1	ZINC000852103744	DE	On-Demand	Mild	ADRB1	60	59
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc(CCOC)cc1	ZINC000852103744	DE	On-Demand	Mild	ADRB3	41	43
C#C[C@](C)(CC)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000852103749	DD	On-Demand	Mild	ADRB2	16	43
C#C[C@@](C)(CC)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000852103750	DD	On-Demand	Mild	ADRB2	16	43
C#C[C@@](C)(CC)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000852103751	DD	On-Demand	Mild	ADRB2	16	43
C#C[C@](C)(CC)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000852103752	DD	On-Demand	Mild	ADRB2	16	43
C#C[C@](C)(CC)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852103763	CF	On-Demand	Mild	DRD4	43	45
C#C[C@](C)(CC)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852103763	CF	On-Demand	Mild	ACHE	38	43
C#C[C@](C)(CC)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852103763	CF	On-Demand	Mild	SIGMAR1	48	45
C#C[C@](C)(CC)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852103763	CF	On-Demand	Mild	BIRC2	15	42
C#C[C@](C)(CC)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852103764	CF	On-Demand	Mild	DRD4	43	45
C#C[C@](C)(CC)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852103764	CF	On-Demand	Mild	ACHE	38	43
C#C[C@](C)(CC)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852103764	CF	On-Demand	Mild	SIGMAR1	48	45
C#C[C@](C)(CC)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852103764	CF	On-Demand	Mild	BIRC2	15	42
C#C[C@@](C)(CC)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852103765	CF	On-Demand	Mild	DRD4	43	45
C#C[C@@](C)(CC)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852103765	CF	On-Demand	Mild	ACHE	38	43
C#C[C@@](C)(CC)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852103765	CF	On-Demand	Mild	SIGMAR1	48	45
C#C[C@@](C)(CC)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852103765	CF	On-Demand	Mild	BIRC2	15	42
C#C[C@@](C)(CC)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852103766	CF	On-Demand	Mild	DRD4	43	45
C#C[C@@](C)(CC)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852103766	CF	On-Demand	Mild	ACHE	38	43
C#C[C@@](C)(CC)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852103766	CF	On-Demand	Mild	SIGMAR1	48	45
C#C[C@@](C)(CC)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852103766	CF	On-Demand	Mild	BIRC2	15	42
C#C[C@](C)(CC)NC[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC000852103830	CF	On-Demand	Mild	L3MBTL3	60	35
C#C[C@](C)(CC)NC[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC000852103831	CF	On-Demand	Mild	L3MBTL3	60	35
C#C[C@@](C)(CC)NC[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC000852103832	CF	On-Demand	Mild	L3MBTL3	60	35
C#C[C@@](C)(CC)NC[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC000852103833	CF	On-Demand	Mild	L3MBTL3	60	35
C#C[C@@](C)(CC)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852103844	CG	On-Demand	Mild	GPR119	26	42
C#C[C@](C)(CC)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852103845	CG	On-Demand	Mild	GPR119	26	42
C#C[C@](C)(CC)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852103846	CG	On-Demand	Mild	GPR119	26	42
C#C[C@@](C)(CC)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852103847	CG	On-Demand	Mild	GPR119	26	42
C#C[C@](C)(CC)NC[C@@H](O)c1cccnc1	ZINC000852103893	BD	On-Demand	Mild	ADRB1	24	42
C#C[C@](C)(CC)NC[C@@H](O)c1cccnc1	ZINC000852103893	BD	On-Demand	Mild	ADRB3	87	48
C#C[C@](C)(CC)NC[C@@H](O)c1cccnc1	ZINC000852103893	BD	On-Demand	Mild	CYP51A1	16	40
C#C[C@@](C)(CC)NC[C@@H](O)c1cccnc1	ZINC000852103894	BD	On-Demand	Mild	ADRB1	24	42
C#C[C@@](C)(CC)NC[C@@H](O)c1cccnc1	ZINC000852103894	BD	On-Demand	Mild	ADRB3	87	48
C#C[C@@](C)(CC)NC[C@@H](O)c1cccnc1	ZINC000852103894	BD	On-Demand	Mild	CYP51A1	16	40
C#C[C@](C)(CC)NC[C@H](O)c1cccnc1	ZINC000852103895	BD	On-Demand	Mild	ADRB1	24	42
C#C[C@](C)(CC)NC[C@H](O)c1cccnc1	ZINC000852103895	BD	On-Demand	Mild	ADRB3	87	48
C#C[C@](C)(CC)NC[C@H](O)c1cccnc1	ZINC000852103895	BD	On-Demand	Mild	CYP51A1	16	40
C#C[C@@](C)(CC)NC[C@H](O)c1cccnc1	ZINC000852103896	BD	On-Demand	Mild	ADRB1	24	42
C#C[C@@](C)(CC)NC[C@H](O)c1cccnc1	ZINC000852103896	BD	On-Demand	Mild	ADRB3	87	48
C#C[C@@](C)(CC)NC[C@H](O)c1cccnc1	ZINC000852103896	BD	On-Demand	Mild	CYP51A1	16	40
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)COC3)C2)cc1	ZINC000852103908	DD	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)COC3)C2)cc1	ZINC000852103908	DD	On-Demand	Clean	MTNR1B	17	46
C#C[C@@](C)(CC)NC[C@H](O)Cc1ccc2ccccc2c1	ZINC000852104023	CG	On-Demand	Mild	CASR	48	46
C#C[C@@](C)(CC)NC[C@H](O)Cc1ccc2ccccc2c1	ZINC000852104023	CG	On-Demand	Mild	CYP2D6	18	43
C#C[C@@](C)(CC)NC[C@@H](O)Cc1ccc2ccccc2c1	ZINC000852104024	CG	On-Demand	Mild	CASR	48	46
C#C[C@@](C)(CC)NC[C@@H](O)Cc1ccc2ccccc2c1	ZINC000852104024	CG	On-Demand	Mild	CYP2D6	18	43
C#C[C@](C)(CC)NC[C@@H](O)Cc1ccc2ccccc2c1	ZINC000852104025	CG	On-Demand	Mild	CASR	48	46
C#C[C@](C)(CC)NC[C@@H](O)Cc1ccc2ccccc2c1	ZINC000852104025	CG	On-Demand	Mild	CYP2D6	18	43
C#C[C@](C)(CC)NC[C@H](O)Cc1ccc2ccccc2c1	ZINC000852104026	CG	On-Demand	Mild	CASR	48	46
C#C[C@](C)(CC)NC[C@H](O)Cc1ccc2ccccc2c1	ZINC000852104026	CG	On-Demand	Mild	CYP2D6	18	43
C#C[C@@](C)(CC)NCc1cncn1Cc1ccccc1	ZINC000852104044	CF	On-Demand	Mild	CYP11B1	20	49
C#C[C@@](C)(CC)NCc1cncn1Cc1ccccc1	ZINC000852104044	CF	On-Demand	Mild	CYP11B2	15	49
C#C[C@](C)(CC)NCc1cncn1Cc1ccccc1	ZINC000852104045	CF	On-Demand	Mild	CYP11B1	20	49
C#C[C@](C)(CC)NCc1cncn1Cc1ccccc1	ZINC000852104045	CF	On-Demand	Mild	CYP11B2	15	49
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1	ZINC000852104072	FE	On-Demand	Anodyne	CCR8	47	33
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1	ZINC000852104072	FE	On-Demand	Anodyne	SFRP1	99	38
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1	ZINC000852104072	FE	On-Demand	Anodyne	WNT3	74	38
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1	ZINC000852104073	FE	On-Demand	Anodyne	CCR8	47	33
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1	ZINC000852104073	FE	On-Demand	Anodyne	SFRP1	99	38
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1	ZINC000852104073	FE	On-Demand	Anodyne	WNT3	74	38
CN(C[C@H](O)CNC(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1	ZINC000852104079	DE	On-Demand	Mild	CTSB	32	43
CN(C[C@H](O)CNC(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1	ZINC000852104079	DE	On-Demand	Mild	PAPA1_CARPA	45	42
CN(C[C@H](O)CNC(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1	ZINC000852104081	DE	On-Demand	Mild	CTSB	32	43
CN(C[C@H](O)CNC(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1	ZINC000852104081	DE	On-Demand	Mild	PAPA1_CARPA	45	42
C=CCCC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCCC1	ZINC000852104087	GG	On-Demand	Reactive	HCN1	54	31
C=CCCC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCCC1	ZINC000852104087	GG	On-Demand	Reactive	HCN4	46	30
CCCCC[C@@H](C)NC(=O)CN1CCC[C@@]2(CCN(C)C2)C1	ZINC000852104094	DE	On-Demand	Anodyne	NOD1	45	31
CCCCC[C@@H](C)NC(=O)CN1CCC[C@]2(CCN(C)C2)C1	ZINC000852104096	DE	On-Demand	Anodyne	NOD1	45	31
COC(=O)c1ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)c(F)c1	ZINC000852104114	FD	On-Demand	Anodyne	BDKRB1	25	41
COc1cccc([C@]2(C)CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)C2)c1	ZINC000852104238	GF	On-Demand	Anodyne	DRD4	43	32
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cnn(-c2ccccc2)c1	ZINC000852104314	ED	On-Demand	Reactive	RBP4	45	33
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cnn(-c2ccccc2)c1	ZINC000852104315	ED	On-Demand	Reactive	RBP4	45	33
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cnn(-c2ccccc2)c1	ZINC000852104316	ED	On-Demand	Reactive	RBP4	45	33
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cnn(-c2ccccc2)c1	ZINC000852104317	ED	On-Demand	Reactive	RBP4	45	33
C#C[C@@](C)(CC)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852104322	DE	On-Demand	Mild	TRY2_BOVIN	17	40
C#C[C@](C)(CC)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852104323	DE	On-Demand	Mild	TRY2_BOVIN	17	40
C#C[C@](C)(CC)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852104324	DE	On-Demand	Mild	TRY2_BOVIN	17	40
C#C[C@@](C)(CC)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852104325	DE	On-Demand	Mild	TRY2_BOVIN	17	40
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852104330	GE	On-Demand	Reactive	SLC6A5	16	42
O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852104331	GE	On-Demand	Reactive	SLC6A5	16	42
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@]3(CCN(C)C3)C2)cc1	ZINC000852104339	EE	On-Demand	Anodyne	ACOX1	47	30
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@]3(CCN(C)C3)C2)cc1	ZINC000852104339	EE	On-Demand	Anodyne	ABCB1	47	45
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@]3(CCN(C)C3)C2)cc1	ZINC000852104340	EE	On-Demand	Anodyne	ACOX1	47	30
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@]3(CCN(C)C3)C2)cc1	ZINC000852104340	EE	On-Demand	Anodyne	ABCB1	47	45
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@]3(CCN(C)C3)C2)cc1	ZINC000852104341	EE	On-Demand	Anodyne	ACOX1	47	30
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@]3(CCN(C)C3)C2)cc1	ZINC000852104341	EE	On-Demand	Anodyne	ABCB1	47	45
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@]3(CCN(C)C3)C2)cc1	ZINC000852104342	EE	On-Demand	Anodyne	ACOX1	47	30
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@]3(CCN(C)C3)C2)cc1	ZINC000852104342	EE	On-Demand	Anodyne	ABCB1	47	45
CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)CNC(=O)OC(C)(C)C	ZINC000852104348	FE	On-Demand	Bother	COLA	64	37
CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)CNC(=O)OC(C)(C)C	ZINC000852104349	FE	On-Demand	Bother	COLA	64	37
C#CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852104411	DD	On-Demand	Mild	ACHE	36	49
C#CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852104411	DD	On-Demand	Mild	HTR4	30	40
C#CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852104411	DD	On-Demand	Mild	SIGMAR1	29	47
C#CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852104411	DD	On-Demand	Mild	SSTR5	44	35
C#CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852104411	DD	On-Demand	Mild	CCR3	29	40
C#CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852104411	DD	On-Demand	Mild	CACNA1I	62	42
CN1CC[C@@]2(CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000852104435	DE	On-Demand	Bother	KCNJ1	19	40
CN1CC[C@@]2(CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000852104436	DE	On-Demand	Bother	KCNJ1	19	40
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NC[C@@H](OC)C(F)(F)F)CCC2	ZINC000852104454	GF	On-Demand	Anodyne	NQO2	22	48
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NC[C@H](OC)C(F)(F)F)CCC2	ZINC000852104455	GF	On-Demand	Anodyne	NQO2	22	48
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NC[C@@H](OC)C(F)(F)F)CCC2	ZINC000852104456	GF	On-Demand	Anodyne	NQO2	22	48
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NC[C@H](OC)C(F)(F)F)CCC2	ZINC000852104457	GF	On-Demand	Anodyne	NQO2	22	48
NC(=O)[C@](O)(CN1CCC[C@@H](N2CCOCC2)C1)c1ccccc1	ZINC000852104469	EC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CCC[C@H](N2CCOCC2)C1)c1ccccc1	ZINC000852104470	EC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CCC[C@@H](N2CCOCC2)C1)c1ccccc1	ZINC000852104471	EC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CCC[C@H](N2CCOCC2)C1)c1ccccc1	ZINC000852104472	EC	On-Demand	Anodyne	CYP2J2	44	31
C#C[C@](C)(CC)NC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852104476	DE	On-Demand	Mild	GPR119	27	43
C#C[C@](C)(CC)NC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852104477	DE	On-Demand	Mild	GPR119	27	43
C#C[C@@](C)(CC)NC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852104478	DE	On-Demand	Mild	GPR119	27	43
C#C[C@@](C)(CC)NC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852104479	DE	On-Demand	Mild	GPR119	27	43
Cn1cc(CCNC(=O)NCCS(=O)(=O)C(C)(C)C)c2ccccc21	ZINC000852104509	FE	On-Demand	Anodyne	NQO2	21	42
Cn1cc(CCNC(=O)NCCS(=O)(=O)C(C)(C)C)c2ccccc21	ZINC000852104509	FE	On-Demand	Anodyne	MTNR1A	17	42
N#CC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCCCC1	ZINC000852104542	FE	On-Demand	Reactive	HCN1	56	32
N#CC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CCCCC1	ZINC000852104542	FE	On-Demand	Reactive	HCN4	48	31
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000852104804	DD	On-Demand	Mild	MAPK9	25	40
C#C[C@@](C)(CC)NCC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000852104804	DD	On-Demand	Mild	MAPK8	22	40
C#C[C@](C)(CC)NCC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000852104805	DD	On-Demand	Mild	MAPK9	25	40
C#C[C@](C)(CC)NCC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000852104805	DD	On-Demand	Mild	MAPK8	22	40
C#CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852104902	CD	On-Demand	Mild	MTNR1A	23	47
C#CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852104902	CD	On-Demand	Mild	MTNR1B	18	47
C#CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852104904	CD	On-Demand	Mild	MTNR1A	23	47
C#CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852104904	CD	On-Demand	Mild	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C(F)(F)F)C2)cc1	ZINC000852104981	FE	On-Demand	Clean	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C(F)(F)F)C2)cc1	ZINC000852104984	FE	On-Demand	Clean	MCHR1	15	42
COc1cccc([C@]2(C)CCN(C(=O)NC[C@@H](OC)C(F)(F)F)C2)c1	ZINC000852105302	FF	On-Demand	Anodyne	DRD4	40	31
COc1cccc([C@]2(C)CCN(C(=O)NC[C@H](OC)C(F)(F)F)C2)c1	ZINC000852105305	FF	On-Demand	Anodyne	DRD4	40	31
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1ccccc1	ZINC000852105330	DD	On-Demand	Anodyne	MTNR1A	15	45
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1ccccc1	ZINC000852105333	DD	On-Demand	Anodyne	MTNR1A	15	45
C#CCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852105336	EF	On-Demand	Mild	CNR1	55	34
C#CCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852105336	EF	On-Demand	Mild	DRD3	30	44
C#CCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852105336	EF	On-Demand	Mild	CNR2	19	42
C#CCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852105336	EF	On-Demand	Mild	MC4R	60	37
C#CCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852105336	EF	On-Demand	Mild	EPHX2	15	47
C#CCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852105336	EF	On-Demand	Mild	CXCR3	16	45
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cnn(-c2ccccc2)c1	ZINC000852105349	GD	On-Demand	Reactive	CACNA1I	60	35
C#CCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852105419	CF	On-Demand	Mild	SCD1	16	42
C#CCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852105419	CF	On-Demand	Mild	SCD	29	42
C#CCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852105419	CF	On-Demand	Mild	TRPM8	27	53
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@]3(CCN(C)C3)C2)cc1	ZINC000852105435	FF	On-Demand	Anodyne	PSMB1	41	35
COC(=O)/C=C\c1ccc(OCCN2CCC[C@]3(CCN(C)C3)C2)cc1	ZINC000852105436	FF	On-Demand	Anodyne	PSMB1	41	35
CCSC1(CNC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1	ZINC000852105509	FE	On-Demand	Reactive	HCN1	51	33
CN(Cc1cnc[nH]1)C(=O)NCCS(=O)(=O)C(C)(C)C	ZINC000852105516	DC	On-Demand	Anodyne	TAAR1	25	40
COC(=O)c1ccc(CNC(=O)NC[C@@H](OC)C(F)(F)F)c(F)c1	ZINC000852105610	FD	On-Demand	Anodyne	BDKRB1	27	45
COC(=O)c1ccc(CNC(=O)NC[C@H](OC)C(F)(F)F)c(F)c1	ZINC000852105612	FD	On-Demand	Anodyne	BDKRB1	27	45
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@]3(CCN(C)C3)C2)c1	ZINC000852105751	ED	On-Demand	Reactive	KCNK3	45	35
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@]3(CCN(C)C3)C2)c1	ZINC000852105752	ED	On-Demand	Reactive	KCNK3	45	35
C#CCCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852105780	DE	On-Demand	Mild	NQO2	22	41
C#CCCNC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852105781	DE	On-Demand	Mild	NQO2	22	41
C#CCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852105824	CC	On-Demand	Mild	PYGL	36	49
C#CCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852105824	CC	On-Demand	Mild	PYGM	32	49
C#CCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852105825	CC	On-Demand	Mild	PYGL	36	49
C#CCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852105825	CC	On-Demand	Mild	PYGM	32	49
CN1CC[C@@]2(CCCN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1	ZINC000852105834	EG	On-Demand	Anodyne	LUCI_PHOPY	65	44
CN1CC[C@@]2(CCCN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)C1	ZINC000852105836	EG	On-Demand	Anodyne	LUCI_PHOPY	65	44
CN1CC[C@@]2(CCCN(Cc3cccc(NC(=O)OC(C)(C)C)c3)C2)C1	ZINC000852105891	FH	On-Demand	Anodyne	HRH2	32	43
C#CCCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852106016	EF	On-Demand	Mild	BCL2A1	43	34
C#CCCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852106016	EF	On-Demand	Mild	RPA1	40	31
CO[C@H](CNC(=O)N1CCC(c2ccon2)CC1)C(F)(F)F	ZINC000852106038	DE	On-Demand	Anodyne	ETHR	51	34
C#CCCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852106114	FG	On-Demand	Mild	GPR119	32	44
C#CCCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852106115	FG	On-Demand	Mild	GPR119	32	44
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1	ZINC000852106139	GH	On-Demand	Mild	PDS	55	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1	ZINC000852106140	GH	On-Demand	Mild	PDS	55	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)c1	ZINC000852106142	GH	On-Demand	Mild	PDS	42	35
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)c1	ZINC000852106143	GH	On-Demand	Mild	PDS	42	35
CCOc1cc(CNC(=O)N(CCF)CCOC)ccc1OC	ZINC000852106146	EE	On-Demand	Anodyne	PDE6A	42	32
CCOc1cc(CNC(=O)N(CCF)CCOC)ccc1OC	ZINC000852106146	EE	On-Demand	Anodyne	MT-ND1	24	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCn3c(nnc3C(C)(C)C)C2)c1	ZINC000852106147	GF	On-Demand	Mild	PDS	50	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCn3c(nnc3C(C)(C)C)C2)c1	ZINC000852106148	GF	On-Demand	Mild	PDS	50	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CC(C)(C)C2)c1	ZINC000852106149	DG	On-Demand	Mild	PDS	48	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CC(C)(C)C2)c1	ZINC000852106150	DG	On-Demand	Mild	PDS	48	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(C#N)CCCCC2)c1	ZINC000852106155	FH	On-Demand	Mild	PDS	44	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2(C#N)CCCCC2)c1	ZINC000852106156	FH	On-Demand	Mild	PDS	44	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852106161	GG	On-Demand	Mild	HRH2	23	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852106161	GG	On-Demand	Mild	PDS	59	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852106162	GG	On-Demand	Mild	HRH2	23	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852106162	GG	On-Demand	Mild	PDS	59	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852106163	GG	On-Demand	Mild	HRH2	23	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852106163	GG	On-Demand	Mild	PDS	59	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852106164	GG	On-Demand	Mild	HRH2	23	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852106164	GG	On-Demand	Mild	PDS	59	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[C@@]2(C)CC2(F)F)c1	ZINC000852106165	FH	On-Demand	Mild	PDS	56	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[C@]2(C)CC2(F)F)c1	ZINC000852106166	FH	On-Demand	Mild	PDS	56	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[C@]2(C)CC2(F)F)c1	ZINC000852106167	FH	On-Demand	Mild	PDS	56	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[C@@]2(C)CC2(F)F)c1	ZINC000852106168	FH	On-Demand	Mild	PDS	56	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(OC)c2C)c1	ZINC000852106169	FH	On-Demand	Mild	ROCK2	29	42
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(OC)c2C)c1	ZINC000852106169	FH	On-Demand	Mild	PDS	52	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(OC)c2C)c1	ZINC000852106170	FH	On-Demand	Mild	ROCK2	29	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(OC)c2C)c1	ZINC000852106170	FH	On-Demand	Mild	PDS	52	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852106171	ED	On-Demand	Mild	PDS	49	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852106172	ED	On-Demand	Mild	PDS	49	36
O=C(NCCOc1cccnc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852106174	FD	On-Demand	Clean	HRH2	23	43
O=C(NCCOc1cccnc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852106174	FD	On-Demand	Clean	CHRNA7	44	42
O=C(NCCOc1cccnc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852106174	FD	On-Demand	Clean	STAT6	18	41
O=C(NCCOc1cccnc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852106174	FD	On-Demand	Clean	NAMPT	72	42
CCOc1cc(CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)ccc1OC	ZINC000852106182	FF	On-Demand	Anodyne	SSTR5	42	38
CCOc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106183	GG	On-Demand	Clean	DRD4	23	41
CCOc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106183	GG	On-Demand	Clean	SSTR5	84	43
CCOc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106183	GG	On-Demand	Clean	CCR3	26	41
CCOc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106183	GG	On-Demand	Clean	MTNR1A	17	46
CCOc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106183	GG	On-Demand	Clean	MTNR1B	21	46
CCOc1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106183	GG	On-Demand	Clean	MCHR1	25	51
CCOc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106184	GG	On-Demand	Clean	DRD4	23	41
CCOc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106184	GG	On-Demand	Clean	SSTR5	84	43
CCOc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106184	GG	On-Demand	Clean	CCR3	26	41
CCOc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106184	GG	On-Demand	Clean	MTNR1A	17	46
CCOc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106184	GG	On-Demand	Clean	MTNR1B	21	46
CCOc1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)ccc1OC	ZINC000852106184	GG	On-Demand	Clean	MCHR1	25	51
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](O)[C@H](C)c2ccccc2)c1	ZINC000852106189	GG	On-Demand	Mild	PDS	73	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)c1	ZINC000852106190	GG	On-Demand	Mild	PDS	73	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)c1	ZINC000852106191	GG	On-Demand	Mild	PDS	73	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)c1	ZINC000852106192	GG	On-Demand	Mild	PDS	73	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](C)O[C@@H](C)C2)c1	ZINC000852106193	EG	On-Demand	Mild	PDS	47	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](C)O[C@@H](C)C2)c1	ZINC000852106194	EG	On-Demand	Mild	PDS	47	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1	ZINC000852106207	GH	On-Demand	Mild	PDS	41	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1	ZINC000852106208	GH	On-Demand	Mild	PDS	41	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)c1	ZINC000852106209	GH	On-Demand	Mild	PDS	41	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H](C)O[C@H](CC(F)(F)F)C2)c1	ZINC000852106210	GH	On-Demand	Mild	PDS	41	33
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2C[C@H]3CC[C@@H](C3)C2)c1	ZINC000852106217	EG	On-Demand	Mild	PDS	44	37
CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@H]3CC[C@@H](C3)C2)c1	ZINC000852106218	EG	On-Demand	Mild	PDS	44	37
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCCOc1cccnc1)CCC2	ZINC000852106220	GF	On-Demand	Anodyne	NQO2	19	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCCOc1cccnc1)CCC2	ZINC000852106221	GF	On-Demand	Anodyne	NQO2	19	41
O=C(NCCOc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852106234	FG	On-Demand	Anodyne	KCNH2	42	40
O=C(NCCOc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852106234	FG	On-Demand	Anodyne	EPHX2	15	49
CO[C@H](CNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(F)(F)F	ZINC000852106276	FG	On-Demand	Anodyne	EPHX2	17	52
CO[C@H](CNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(F)(F)F	ZINC000852106276	FG	On-Demand	Anodyne	SCD1	23	43
CO[C@H](CNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(F)(F)F	ZINC000852106276	FG	On-Demand	Anodyne	SCD	31	43
CO[C@H](CNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(F)(F)F	ZINC000852106276	FG	On-Demand	Anodyne	TRPM8	36	57
COCCN(CCF)C(=O)NCc1cccc(OC)c1OC1CCCC1	ZINC000852106291	FG	On-Demand	Anodyne	ACKR3	50	31
C#CCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852106323	CD	On-Demand	Mild	SCN2A	19	47
C#CCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852106323	CD	On-Demand	Mild	SCN10A	22	47
O=C1CC[C@H]2CN(C(=O)NCCOc3cccnc3)CC[C@H]2N1	ZINC000852106346	DC	On-Demand	Anodyne	CHRNA7	45	40
O=C1CC[C@H]2CN(C(=O)NCCOc3cccnc3)CC[C@@H]2N1	ZINC000852106347	DC	On-Demand	Anodyne	CHRNA7	45	40
O=C1CC[C@@H]2CN(C(=O)NCCOc3cccnc3)CC[C@@H]2N1	ZINC000852106348	DC	On-Demand	Anodyne	CHRNA7	45	40
O=C1CC[C@@H]2CN(C(=O)NCCOc3cccnc3)CC[C@H]2N1	ZINC000852106349	DC	On-Demand	Anodyne	CHRNA7	45	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@]2(C)OC)c1	ZINC000852106352	DE	On-Demand	Mild	PDS	44	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@]2(C)OC)c1	ZINC000852106353	DE	On-Demand	Mild	PDS	44	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2nccc(OC)c2F)c1	ZINC000852106355	FF	On-Demand	Mild	ROCK2	25	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2nccc(OC)c2F)c1	ZINC000852106355	FF	On-Demand	Mild	PDS	67	39
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2nccc(OC)c2F)c1	ZINC000852106356	FF	On-Demand	Mild	ROCK2	25	42
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2nccc(OC)c2F)c1	ZINC000852106356	FF	On-Demand	Mild	PDS	67	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)c1	ZINC000852106357	FG	On-Demand	Mild	PDS	61	39
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2C(C)(C)C2(F)F)c1	ZINC000852106358	FG	On-Demand	Mild	PDS	61	39
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)c1	ZINC000852106359	FG	On-Demand	Mild	PDS	61	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2C(C)(C)C2(F)F)c1	ZINC000852106360	FG	On-Demand	Mild	PDS	61	39
COc1ccc([C@@H]2CCCN2C(=O)NCCOc2cccnc2)cc1F	ZINC000852106385	FG	On-Demand	Anodyne	CHRNA7	19	43
COc1ccc([C@@H]2CCCN2C(=O)NCCOc2cccnc2)cc1F	ZINC000852106385	FG	On-Demand	Anodyne	ACKR3	50	32
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106387	GF	On-Demand	Mild	PYGL	31	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106387	GF	On-Demand	Mild	PYGM	27	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106387	GF	On-Demand	Mild	CCKBR	17	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106387	GF	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106388	GF	On-Demand	Mild	PYGL	31	43
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106388	GF	On-Demand	Mild	PYGM	27	42
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106388	GF	On-Demand	Mild	CCKBR	17	40
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106388	GF	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106389	GF	On-Demand	Mild	PYGL	31	43
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106389	GF	On-Demand	Mild	PYGM	27	42
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106389	GF	On-Demand	Mild	CCKBR	17	40
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106389	GF	On-Demand	Mild	PDS	43	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106390	GF	On-Demand	Mild	PYGL	31	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106390	GF	On-Demand	Mild	PYGM	27	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106390	GF	On-Demand	Mild	CCKBR	17	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852106390	GF	On-Demand	Mild	PDS	43	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(F)(F)c2ccc(F)cc2)c1	ZINC000852106401	GI	On-Demand	Mild	CACNA1G	32	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(F)(F)c2ccc(F)cc2)c1	ZINC000852106401	GI	On-Demand	Mild	PDS	65	38
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(F)(F)c2ccc(F)cc2)c1	ZINC000852106402	GI	On-Demand	Mild	CACNA1G	32	42
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(F)(F)c2ccc(F)cc2)c1	ZINC000852106402	GI	On-Demand	Mild	PDS	65	38
CCOc1cc(CNC(=O)NCc2ncccn2)ccc1OC	ZINC000852106405	DD	On-Demand	Anodyne	PDE5A	28	43
CCOc1cc(CNC(=O)NCc2ncccn2)ccc1OC	ZINC000852106405	DD	On-Demand	Anodyne	SSTR5	59	41
CCOc1cc(CNC(=O)NCc2ncccn2)ccc1OC	ZINC000852106405	DD	On-Demand	Anodyne	ROCK2	23	45
CCOc1cc(CNC(=O)NCc2ncccn2)ccc1OC	ZINC000852106405	DD	On-Demand	Anodyne	MT-ND1	23	41
CCOc1cc(CNC(=O)NCc2ncccn2)ccc1OC	ZINC000852106405	DD	On-Demand	Anodyne	HCRTR2	18	41
CCOc1cc(CNC(=O)NCc2ncccn2)ccc1OC	ZINC000852106405	DD	On-Demand	Anodyne	DRTS_TRYCR	52	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852106412	GH	On-Demand	Mild	DRD4	44	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852106413	GH	On-Demand	Mild	DRD4	44	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCO[C@H](CC(F)(F)F)C2)c1	ZINC000852106414	GG	On-Demand	Mild	PDS	42	33
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCO[C@H](CC(F)(F)F)C2)c1	ZINC000852106415	GG	On-Demand	Mild	PDS	42	33
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)c1	ZINC000852106416	GG	On-Demand	Mild	PDS	42	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)c1	ZINC000852106417	GG	On-Demand	Mild	PDS	42	33
CCOc1cc(CNC(=O)N[C@@H]2COC3(CCC3)C2)ccc1OC	ZINC000852106418	EF	On-Demand	Anodyne	SSTR5	52	39
CCOc1cc(CNC(=O)N[C@H]2COC3(CCC3)C2)ccc1OC	ZINC000852106419	EF	On-Demand	Anodyne	SSTR5	52	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCO[C@@H]2CC2(F)F)c1	ZINC000852106429	FF	On-Demand	Mild	PDS	45	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCO[C@H]2CC2(F)F)c1	ZINC000852106430	FF	On-Demand	Mild	PDS	45	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCO[C@@H]2CC2(F)F)c1	ZINC000852106431	FF	On-Demand	Mild	PDS	45	35
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCO[C@H]2CC2(F)F)c1	ZINC000852106432	FF	On-Demand	Mild	PDS	45	35
CC(=O)Oc1ccc(CN2CCC[C@]3(CCN(C)C3)C2)cc1	ZINC000852106488	DF	On-Demand	Anodyne	HRH3	15	41
CC(=O)Oc1ccc(CN2CCC[C@@]3(CCN(C)C3)C2)cc1	ZINC000852106489	DF	On-Demand	Anodyne	HRH3	15	41
O=C(NCCOc1cccnc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852106508	DC	On-Demand	Anodyne	NAMPT	19	40
O=C(NCCOc1cccnc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852106509	DC	On-Demand	Anodyne	NAMPT	19	40
O=C(NCCOc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852106532	DF	On-Demand	Anodyne	CHRNA7	61	43
O=C(NCCOc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852106532	DF	On-Demand	Anodyne	EPHX2	25	44
O=C(NCCOc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852106532	DF	On-Demand	Anodyne	NAMPT	42	36
CC[C@@H](NC(=O)NCCOc1cccnc1)C1CC1	ZINC000852106538	CD	On-Demand	Anodyne	HRH2	15	40
CCOc1cc(CNC(=O)NCC2SCCS2)ccc1OC	ZINC000852106541	EF	On-Demand	Anodyne	SSTR5	46	39
CCOc1cc(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)ccc1OC	ZINC000852106548	GD	On-Demand	Anodyne	REN	18	43
O=C(NCCOc1cccnc1)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852106549	EE	On-Demand	Anodyne	CHRNA7	46	40
O=C(NCCOc1cccnc1)N1CCC([C@H]2CCCCO2)CC1	ZINC000852106550	EE	On-Demand	Anodyne	CHRNA7	46	40
O=C(NCCOc1cccnc1)N[C@H]1CCNC1=O	ZINC000852106551	CB	On-Demand	Anodyne	CHRNA7	39	43
O=C(NCCOc1cccnc1)N[C@@H]1CCNC1=O	ZINC000852106553	CB	On-Demand	Anodyne	CHRNA7	39	43
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2nccn2C)c1	ZINC000852106554	EF	On-Demand	Mild	PDS	49	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2nccn2C)c1	ZINC000852106555	EF	On-Demand	Mild	PDS	49	38
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2nccn2C)c1	ZINC000852106556	EF	On-Demand	Mild	PDS	49	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2nccn2C)c1	ZINC000852106557	EF	On-Demand	Mild	PDS	49	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cc(C)cc(C)c2)c1	ZINC000852106564	FH	On-Demand	Mild	PDS	70	40
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cc(C)cc(C)c2)c1	ZINC000852106566	FH	On-Demand	Mild	PDS	70	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)C2CC2)c1	ZINC000852106598	DG	On-Demand	Mild	PDS	47	39
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)C2CC2)c1	ZINC000852106600	DG	On-Demand	Mild	PDS	47	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC)C2CC2)c1	ZINC000852106602	DG	On-Demand	Mild	PDS	47	39
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	DRD4	17	43
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	ACHE	36	50
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	HRH2	41	44
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	HTR4	34	41
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	HRH3	15	43
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	SIGMAR1	34	57
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	SSTR5	51	36
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	CCR3	40	39
O=C(NCCOc1cccnc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852106614	FE	On-Demand	Anodyne	CACNA1I	59	41
O=C(NCc1ncccn1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852106616	GE	On-Demand	Anodyne	PIM1	17	42
O=C(NCc1ncccn1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852106616	GE	On-Demand	Anodyne	CCR2	21	42
O=C(NCc1ncccn1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852106616	GE	On-Demand	Anodyne	EPHX2	30	40
O=C(NCc1ncccn1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852106616	GE	On-Demand	Anodyne	MCHR1	15	40
O=C(NCc1ncccn1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852106620	GE	On-Demand	Anodyne	PIM1	17	42
O=C(NCc1ncccn1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852106620	GE	On-Demand	Anodyne	CCR2	21	42
O=C(NCc1ncccn1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852106620	GE	On-Demand	Anodyne	EPHX2	30	40
O=C(NCc1ncccn1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852106620	GE	On-Demand	Anodyne	MCHR1	15	40
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C(C)(C)CC)c1	ZINC000852106625	EH	On-Demand	Mild	ANPEP	15	47
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C(C)(C)CC)c1	ZINC000852106625	EH	On-Demand	Mild	CTRB_BOVIN	43	30
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C(C)(C)CC)c1	ZINC000852106625	EH	On-Demand	Mild	PDS	76	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C(C)(C)CC)c1	ZINC000852106627	EH	On-Demand	Mild	ANPEP	15	47
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C(C)(C)CC)c1	ZINC000852106627	EH	On-Demand	Mild	CTRB_BOVIN	43	30
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C(C)(C)CC)c1	ZINC000852106627	EH	On-Demand	Mild	PDS	76	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C(C)(C)CC)c1	ZINC000852106630	EH	On-Demand	Mild	ANPEP	15	47
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C(C)(C)CC)c1	ZINC000852106630	EH	On-Demand	Mild	CTRB_BOVIN	43	30
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C(C)(C)CC)c1	ZINC000852106630	EH	On-Demand	Mild	PDS	76	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C(C)(C)CC)c1	ZINC000852106632	EH	On-Demand	Mild	ANPEP	15	47
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C(C)(C)CC)c1	ZINC000852106632	EH	On-Demand	Mild	CTRB_BOVIN	43	30
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C(C)(C)CC)c1	ZINC000852106632	EH	On-Demand	Mild	PDS	76	41
C=CCCNC(=O)NCc1cccc(O[C@H](C#N)CC)c1	ZINC000852106640	CF	On-Demand	Mild	HRH2	24	40
C=CCCNC(=O)NCc1cccc(O[C@H](C#N)CC)c1	ZINC000852106640	CF	On-Demand	Mild	PDS	56	38
C=CCCNC(=O)NCc1cccc(O[C@@H](C#N)CC)c1	ZINC000852106643	CF	On-Demand	Mild	HRH2	24	40
C=CCCNC(=O)NCc1cccc(O[C@@H](C#N)CC)c1	ZINC000852106643	CF	On-Demand	Mild	PDS	56	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)CC(F)(F)F)c1	ZINC000852106671	FI	On-Demand	Mild	PDS	66	38
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)CC(F)(F)F)c1	ZINC000852106672	FI	On-Demand	Mild	PDS	66	38
CC(C)(C)N1CC[C@@H](NC(=O)NCCOc2cccnc2)C1	ZINC000852106674	DD	On-Demand	Anodyne	HRH2	27	45
CC(C)(C)N1CC[C@H](NC(=O)NCCOc2cccnc2)C1	ZINC000852106675	DD	On-Demand	Anodyne	HRH2	27	45
O=C(NCCc1ccc(F)cc1Cl)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852106733	FG	On-Demand	Anodyne	P2RX7	45	42
C#CCCNC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852106788	CD	On-Demand	Mild	BDKRB1	25	40
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852106793	GH	On-Demand	Mild	HRH2	21	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852106793	GH	On-Demand	Mild	SLC6A5	17	41
C#CCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852106794	CD	On-Demand	Mild	SIGMAR1	24	41
C#CCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852106795	CD	On-Demand	Mild	SIGMAR1	24	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852106798	GH	On-Demand	Mild	HRH2	21	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852106798	GH	On-Demand	Mild	SLC6A5	17	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852106799	GH	On-Demand	Mild	HRH2	21	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852106799	GH	On-Demand	Mild	SLC6A5	17	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852106800	GH	On-Demand	Mild	HRH2	21	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852106800	GH	On-Demand	Mild	SLC6A5	17	41
O=C(NCCOc1cccnc1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852106801	FD	On-Demand	Anodyne	HRH2	23	43
O=C(NCCOc1cccnc1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852106801	FD	On-Demand	Anodyne	NAMPT	46	43
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NCCOc1cccnc1	ZINC000852106802	ED	On-Demand	Anodyne	CHRNA7	17	41
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NCCOc1cccnc1	ZINC000852106804	ED	On-Demand	Anodyne	CHRNA7	17	41
O=C(NCCOc1cccnc1)NC1CCC2(CC1)CC2(F)F	ZINC000852106806	EF	On-Demand	Anodyne	HRH2	17	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852106807	EE	On-Demand	Mild	ROCK2	27	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852106807	EE	On-Demand	Mild	PDS	72	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852106808	EE	On-Demand	Mild	ROCK2	27	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852106808	EE	On-Demand	Mild	PDS	72	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852106809	GG	On-Demand	Mild	HRH2	27	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852106809	GG	On-Demand	Mild	SCN2A	17	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852106809	GG	On-Demand	Mild	SCN10A	20	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852106809	GG	On-Demand	Mild	PDS	52	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852106810	GG	On-Demand	Mild	HRH2	27	40
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852106810	GG	On-Demand	Mild	SCN2A	17	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852106810	GG	On-Demand	Mild	SCN10A	20	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852106810	GG	On-Demand	Mild	PDS	52	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852106858	GG	On-Demand	Mild	CCR3	47	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852106858	GG	On-Demand	Mild	CACNA1I	59	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852106859	GG	On-Demand	Mild	CCR3	47	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852106859	GG	On-Demand	Mild	CACNA1I	59	37
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)c1	ZINC000852106872	FE	On-Demand	Mild	PDS	46	35
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)[C@H]2C[C@@H](C(=O)OC)C2)c1	ZINC000852106873	FE	On-Demand	Mild	PDS	46	35
O=C(NCCOc1cccnc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852106883	ED	On-Demand	Anodyne	HRH2	16	42
O=C(NCCOc1cccnc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852106883	ED	On-Demand	Anodyne	CHRNA7	48	38
O=C(NCCOc1cccnc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852106885	ED	On-Demand	Anodyne	HRH2	16	42
O=C(NCCOc1cccnc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852106885	ED	On-Demand	Anodyne	CHRNA7	48	38
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H](C)C2CCCC2)O1	ZINC000852106886	GE	On-Demand	Reactive	SIGMAR1	24	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H](C)C2CCCC2)O1	ZINC000852106886	GE	On-Demand	Reactive	BIRC2	33	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H](C)C2CCCC2)O1	ZINC000852106886	GE	On-Demand	Reactive	BIRC8	42	35
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2ccoc2)c1	ZINC000852106887	EG	On-Demand	Mild	PDS	63	38
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H](C)C2CCCC2)O1	ZINC000852106888	GE	On-Demand	Reactive	SIGMAR1	24	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H](C)C2CCCC2)O1	ZINC000852106888	GE	On-Demand	Reactive	BIRC2	33	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H](C)C2CCCC2)O1	ZINC000852106888	GE	On-Demand	Reactive	BIRC8	42	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2ccoc2)c1	ZINC000852106889	EG	On-Demand	Mild	PDS	63	38
O=C(NCCOc1cccnc1)NCc1cnc(C(F)(F)F)nc1	ZINC000852106890	ED	On-Demand	Anodyne	NAMPT	41	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CO)c2ccc(F)cc2F)c1	ZINC000852106897	GG	On-Demand	Mild	PDS	43	38
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CO)c2ccc(F)cc2F)c1	ZINC000852106904	GG	On-Demand	Mild	PDS	43	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](CO)c2ccc(F)cc2F)c1	ZINC000852106906	GG	On-Demand	Mild	PDS	43	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CO)c2ccc(F)cc2F)c1	ZINC000852106908	GG	On-Demand	Mild	PDS	43	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(OC3CC3)c2F)c1	ZINC000852106914	GI	On-Demand	Mild	PDS	49	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(OC3CC3)c2F)c1	ZINC000852106915	GI	On-Demand	Mild	PDS	49	35
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C2CCC(F)CC2)c1	ZINC000852106923	FI	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c1	ZINC000852106924	FI	On-Demand	Mild	PDS	43	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)C2CCC(F)CC2)c1	ZINC000852106925	FI	On-Demand	Mild	PDS	43	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)C2CCC(F)CC2)c1	ZINC000852106926	FI	On-Demand	Mild	PDS	43	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccnn2CC)c1	ZINC000852106936	EF	On-Demand	Mild	PDS	50	39
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccnn2CC)c1	ZINC000852106937	EF	On-Demand	Mild	PDS	50	39
C#CCCNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000852106948	GD	On-Demand	Mild	EPHX2	17	42
C#CCCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852106952	CF	On-Demand	Mild	KCNH2	42	41
O=C(NCCOc1cccnc1)N1CCc2nccnc2C1	ZINC000852106959	CD	On-Demand	Anodyne	CHRNA7	15	40
C#CCCNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852106970	DD	On-Demand	Mild	DRD2	30	44
C#CCCNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852106970	DD	On-Demand	Mild	DRD4	19	44
C#CCCNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852106970	DD	On-Demand	Mild	ADRA1D	18	41
C#CCCNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852106970	DD	On-Demand	Mild	DRD3	44	38
C#CCCNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852106970	DD	On-Demand	Mild	KCNA3	42	40
C#CCCNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852106970	DD	On-Demand	Mild	HCN1	73	42
C#CCCNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852106970	DD	On-Demand	Mild	HCN4	49	38
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2SCCS2)c1	ZINC000852106986	FF	On-Demand	Mild	PDS	47	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2SCCS2)c1	ZINC000852106988	FF	On-Demand	Mild	PDS	47	37
CCOc1cc(CNC(=O)NNc2ccc(Cl)cn2)ccc1OC	ZINC000852106992	FF	On-Demand	Reactive	PDE5A	33	40
CCOc1cc(CNC(=O)NNc2ccc(Cl)cn2)ccc1OC	ZINC000852106992	FF	On-Demand	Reactive	F10	54	37
CCOc1cc(CNC(=O)NNc2ccc(Cl)cn2)ccc1OC	ZINC000852106992	FF	On-Demand	Reactive	PDE6A	42	33
CCOc1cc(CNC(=O)NNc2ccc(Cl)cn2)ccc1OC	ZINC000852106992	FF	On-Demand	Reactive	DRTS_TRYCR	48	35
CCOc1cc(CNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)ccc1OC	ZINC000852107000	GC	On-Demand	Reactive	SSTR5	51	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(F)(F)C(C)(C)C)c1	ZINC000852107007	FH	On-Demand	Mild	PDS	67	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2noc3ccccc23)c1	ZINC000852107009	GH	On-Demand	Mild	PDS	45	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(F)(F)C(C)(C)C)c1	ZINC000852107010	FH	On-Demand	Mild	PDS	67	38
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2noc3ccccc23)c1	ZINC000852107016	GH	On-Demand	Mild	PDS	45	35
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C(C)C)C2CC2)c1	ZINC000852107019	EH	On-Demand	Mild	PDS	50	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C(C)C)C2CC2)c1	ZINC000852107020	EH	On-Demand	Mild	PDS	50	39
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C(C)C)C2CC2)c1	ZINC000852107021	EH	On-Demand	Mild	PDS	50	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C(C)C)C2CC2)c1	ZINC000852107022	EH	On-Demand	Mild	PDS	50	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852107034	FE	On-Demand	Mild	MAPK1	22	45
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852107034	FE	On-Demand	Mild	P2RY14	48	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852107034	FE	On-Demand	Mild	PDS	47	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852107035	FE	On-Demand	Mild	MAPK1	22	45
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852107035	FE	On-Demand	Mild	P2RY14	48	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852107035	FE	On-Demand	Mild	PDS	47	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCC2CCC2)c1	ZINC000852107036	EH	On-Demand	Mild	HRH2	29	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCC2CCC2)c1	ZINC000852107036	EH	On-Demand	Mild	PDS	48	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCC2CCC2)c1	ZINC000852107037	EH	On-Demand	Mild	HRH2	29	43
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCC2CCC2)c1	ZINC000852107037	EH	On-Demand	Mild	PDS	48	35
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c1	ZINC000852107048	FH	On-Demand	Mild	PDS	40	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c1	ZINC000852107049	FH	On-Demand	Mild	PDS	40	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852107051	GE	On-Demand	Mild	PDS	63	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852107053	GE	On-Demand	Mild	PDS	63	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852107055	GE	On-Demand	Mild	PDS	63	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852107057	GE	On-Demand	Mild	PDS	63	37
O=C(NCCOc1cccnc1)N1CC[C@H]1c1ccc(Br)cc1	ZINC000852107058	GG	On-Demand	Anodyne	CHRNA7	34	49
O=C(NCCOc1cccnc1)N1CC[C@@H]1c1ccc(Br)cc1	ZINC000852107060	GG	On-Demand	Anodyne	CHRNA7	34	49
O=C(NCCOc1cccnc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852107064	FD	On-Demand	Anodyne	CHRNA7	49	39
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCCOc1cccnc1	ZINC000852107075	GG	On-Demand	Anodyne	CHRNA7	17	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1	ZINC000852107122	GI	On-Demand	Mild	PDS	40	37
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1	ZINC000852107123	GI	On-Demand	Mild	PDS	40	37
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)Cc2ccc(F)cc2C)c1	ZINC000852107124	GI	On-Demand	Mild	PDS	40	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)Cc2ccc(F)cc2C)c1	ZINC000852107125	GI	On-Demand	Mild	PDS	40	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CCC3(CC2)CC3(F)F)c1	ZINC000852107126	GI	On-Demand	Mild	PDS	46	35
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC2CCC3(CC2)CC3(F)F)c1	ZINC000852107127	GI	On-Demand	Mild	PDS	46	35
CCOc1cc(CNC(=O)N[C@@H]2C=CCC2)ccc1OC	ZINC000852107130	CF	On-Demand	Anodyne	SSTR5	64	38
CCOc1cc(CNC(=O)N[C@@H]2C=CCC2)ccc1OC	ZINC000852107130	CF	On-Demand	Anodyne	MT-ND1	18	40
CCOc1cc(CNC(=O)N[C@H]2C=CCC2)ccc1OC	ZINC000852107131	CF	On-Demand	Anodyne	SSTR5	64	38
CCOc1cc(CNC(=O)N[C@H]2C=CCC2)ccc1OC	ZINC000852107131	CF	On-Demand	Anodyne	MT-ND1	18	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC2(CSC)CC2)c1	ZINC000852107137	FH	On-Demand	Mild	PDS	52	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC2(CSC)CC2)c1	ZINC000852107138	FH	On-Demand	Mild	PDS	52	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)c1	ZINC000852107139	GH	On-Demand	Mild	PDS	69	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)c1	ZINC000852107140	GH	On-Demand	Mild	PDS	69	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852107141	FE	On-Demand	Mild	PDS	53	37
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852107142	FE	On-Demand	Mild	PDS	53	37
O=C(NCCOc1cccnc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852107145	GD	On-Demand	Anodyne	CASP3	17	40
O=C(NCCOc1cccnc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852107145	GD	On-Demand	Anodyne	CHRNA7	21	40
COc1cc(F)c([C@@H](C)NC(=O)NNc2ccc(Cl)cn2)cc1OC	ZINC000852107168	FG	On-Demand	Reactive	F10	48	32
COc1cc(F)c([C@H](C)NC(=O)NNc2ccc(Cl)cn2)cc1OC	ZINC000852107170	FG	On-Demand	Reactive	F10	48	32
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCN2C[C@H]3CCCCN3C2=O)c1	ZINC000852107181	GE	On-Demand	Mild	HRH2	31	40
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCN2C[C@H]3CCCCN3C2=O)c1	ZINC000852107183	GE	On-Demand	Mild	HRH2	31	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCN2C[C@@H]3CCCCN3C2=O)c1	ZINC000852107186	GE	On-Demand	Mild	HRH2	31	40
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCN2C[C@@H]3CCCCN3C2=O)c1	ZINC000852107187	GE	On-Demand	Mild	HRH2	31	40
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)c1	ZINC000852107205	GG	On-Demand	Mild	PDS	44	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCO[C@@H](C(F)(F)F)[C@@H]2C)c1	ZINC000852107206	GG	On-Demand	Mild	PDS	44	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)c1	ZINC000852107208	GG	On-Demand	Mild	PDS	44	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCO[C@H](C(F)(F)F)[C@H]2C)c1	ZINC000852107209	GG	On-Demand	Mild	PDS	44	33
CCOc1cc(CNC(=O)NCCC2SCCS2)ccc1OC	ZINC000852107211	FG	On-Demand	Anodyne	SSTR5	44	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(C(=O)OC)cc2F)c1	ZINC000852107214	GG	On-Demand	Mild	PDS	46	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(C(=O)OC)cc2F)c1	ZINC000852107215	GG	On-Demand	Mild	PDS	46	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCc2ccco2)c1	ZINC000852107218	EG	On-Demand	Mild	PDS	42	35
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)CCC3=O)C2)cc1	ZINC000852107219	FC	On-Demand	Clean	DRD4	45	37
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)CCC3=O)C2)cc1	ZINC000852107219	FC	On-Demand	Clean	MTNR1A	20	45
COc1ccc(N2CC[C@H](NC(=O)NCCN3C(=O)CCC3=O)C2)cc1	ZINC000852107219	FC	On-Demand	Clean	MTNR1B	15	45
C#CCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000852107230	GC	On-Demand	Mild	DRD4	44	36
Cc1cccc(NC(=O)[C@@H](C)ON=Cc2cccs2)c1	ZINC000852107231	CG	On-Demand	Mild	KCNK3	58	42
Cc1cccc(NC(=O)[C@@H](C)ON=Cc2cccs2)c1	ZINC000852107231	CG	On-Demand	Mild	KCNK9	52	42
Cc1cccc(NC(=O)[C@H](C)ON=Cc2cccs2)c1	ZINC000852107232	CG	On-Demand	Mild	KCNK3	58	42
Cc1cccc(NC(=O)[C@H](C)ON=Cc2cccs2)c1	ZINC000852107232	CG	On-Demand	Mild	KCNK9	52	42
Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852107243	FF	On-Demand	Clean	VHL	48	32
Cc1noc(C)c1[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852107244	FF	On-Demand	Clean	VHL	48	32
C#CCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852107245	CE	On-Demand	Mild	DRD4	46	35
C#CCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852107245	CE	On-Demand	Mild	MTNR1A	46	36
C#CCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852107245	CE	On-Demand	Mild	MTNR1B	44	37
C#CCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852107246	CE	On-Demand	Mild	DRD4	46	35
C#CCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852107246	CE	On-Demand	Mild	MTNR1A	46	36
C#CCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852107246	CE	On-Demand	Mild	MTNR1B	44	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCc2ccco2)c1	ZINC000852107251	EG	On-Demand	Mild	PDS	42	35
COc1cccc([C@]2(C)CCN(C(=O)NCCOc3cccnc3)C2)c1	ZINC000852107254	FF	On-Demand	Anodyne	DRD4	42	32
COc1cccc([C@]2(C)CCN(C(=O)NCCOc3cccnc3)C2)c1	ZINC000852107254	FF	On-Demand	Anodyne	CHRNA7	15	44
COc1cccc([C@]2(C)CCN(C(=O)NCCOc3cccnc3)C2)c1	ZINC000852107254	FF	On-Demand	Anodyne	MTNR1A	28	44
COc1cccc([C@]2(C)CCN(C(=O)NCCOc3cccnc3)C2)c1	ZINC000852107254	FF	On-Demand	Anodyne	MTNR1B	28	44
C=C[C@H](CO)NC(=O)NCc1cccc(O[C@H](C#N)CC)c1	ZINC000852107266	DD	On-Demand	Mild	PDS	63	41
C=C[C@H](CO)NC(=O)NCc1cccc(O[C@@H](C#N)CC)c1	ZINC000852107268	DD	On-Demand	Mild	PDS	63	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCOc1cccnc1	ZINC000852107291	EE	On-Demand	Anodyne	CHRNA7	18	40
CCOc1cc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)ccc1OC	ZINC000852107293	GE	On-Demand	Anodyne	DRTS_TRYCR	49	36
CCOc1cc(CNC(=O)NCC[S@](=O)CC(F)(F)F)ccc1OC	ZINC000852107294	GE	On-Demand	Anodyne	DRTS_TRYCR	49	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2nc(C(N)=O)cs2)c1	ZINC000852107295	FD	On-Demand	Mild	ROCK2	24	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2nc(C(N)=O)cs2)c1	ZINC000852107299	FD	On-Demand	Mild	ROCK2	24	40
CCOc1cc(CNC(=O)N(C)CCN(C)C(=O)OC)ccc1OC	ZINC000852107301	FD	On-Demand	Anodyne	PDE6A	41	34
CCOc1cc(CNC(=O)N(C)CCN(C)C(=O)OC)ccc1OC	ZINC000852107301	FD	On-Demand	Anodyne	MT-ND1	25	44
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)C(O)(CC)CC)c1	ZINC000852107302	GH	On-Demand	Mild	PDS	61	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(C)(C)C(O)(CC)CC)c1	ZINC000852107303	GH	On-Demand	Mild	PDS	61	37
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c1	ZINC000852107308	GI	On-Demand	Mild	PDS	55	35
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c1	ZINC000852107311	GI	On-Demand	Mild	PDS	55	35
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Cl)c(Cl)c2)c1	ZINC000852107363	GJ	On-Demand	Mild	ROCK2	26	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Cl)c(Cl)c2)c1	ZINC000852107363	GJ	On-Demand	Mild	PDS	78	43
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Cl)c(Cl)c2)c1	ZINC000852107364	GJ	On-Demand	Mild	ROCK2	26	40
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(Cl)c(Cl)c2)c1	ZINC000852107364	GJ	On-Demand	Mild	PDS	78	43
CCOc1cc(CNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852107376	FE	On-Demand	Anodyne	SIGMAR1	17	43
CCOc1cc(CNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852107376	FE	On-Demand	Anodyne	SSTR5	89	44
CCOc1cc(CNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852107376	FE	On-Demand	Anodyne	CCR3	19	41
CCOc1cc(CNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852107376	FE	On-Demand	Anodyne	MCHR1	25	46
CCOc1cc(CNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852107376	FE	On-Demand	Anodyne	CCR8	19	40
CCOc1cc(CNC(=O)N2CCC(N3CCOC3=O)CC2)ccc1OC	ZINC000852107377	GE	On-Demand	Anodyne	SSTR5	60	39
CC[C@@H](C)CCNC(=O)NCc1cccc(O[C@@H](C#N)CC)c1	ZINC000852107379	DH	On-Demand	Mild	PDS	60	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[C@H](C)CC)c1	ZINC000852107382	DH	On-Demand	Mild	PDS	60	38
O=C(NCCOc1cccnc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852107394	DG	On-Demand	Anodyne	CHRNA7	54	41
O=C(NCCOc1cccnc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852107394	DG	On-Demand	Anodyne	C3AR1	40	38
O=C(NCCOc1cccnc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852107395	DG	On-Demand	Anodyne	CHRNA7	54	41
O=C(NCCOc1cccnc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852107395	DG	On-Demand	Anodyne	C3AR1	40	38
O=C(NCCOc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852107396	EE	On-Demand	Anodyne	HRH2	24	48
O=C(NCCOc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852107396	EE	On-Demand	Anodyne	CHRNA7	49	37
O=C(NCCOc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852107396	EE	On-Demand	Anodyne	SLC6A5	20	44
O=C(NCCOc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852107396	EE	On-Demand	Anodyne	EPHX2	16	40
O=C(NCCOc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852107396	EE	On-Demand	Anodyne	VCP	54	33
O=C(NCCOc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852107397	EE	On-Demand	Anodyne	HRH2	24	48
O=C(NCCOc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852107397	EE	On-Demand	Anodyne	CHRNA7	49	37
O=C(NCCOc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852107397	EE	On-Demand	Anodyne	SLC6A5	20	44
O=C(NCCOc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852107397	EE	On-Demand	Anodyne	EPHX2	16	40
O=C(NCCOc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852107397	EE	On-Demand	Anodyne	VCP	54	33
CC[C@@H](C)CCNC(=O)NCCOc1cccnc1	ZINC000852107398	CE	On-Demand	Anodyne	PTAFR	22	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC2(CS(C)(=O)=O)CC2)c1	ZINC000852107400	GE	On-Demand	Mild	PDS	42	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC2(CS(C)(=O)=O)CC2)c1	ZINC000852107401	GE	On-Demand	Mild	PDS	42	35
CCOc1cc(CNC(=O)N2CC[C@H](N3CCOC3=O)C2)ccc1OC	ZINC000852107413	FD	On-Demand	Anodyne	SSTR5	53	39
CCOc1cc(CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)ccc1OC	ZINC000852107414	FD	On-Demand	Anodyne	SSTR5	53	39
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852107415	FG	On-Demand	Anodyne	EPHX2	33	42
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852107416	FG	On-Demand	Anodyne	EPHX2	33	42
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1	ZINC000852107417	FG	On-Demand	Anodyne	EPHX2	33	42
O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)N[C@H]1C=CCC1	ZINC000852107418	FG	On-Demand	Anodyne	EPHX2	33	42
CCSC1(CNC(=O)NCc2cccc(O[C@H](C#N)CC)c2)CC1	ZINC000852107424	EG	On-Demand	Mild	PDS	58	39
CCSC1(CNC(=O)NCc2cccc(O[C@@H](C#N)CC)c2)CC1	ZINC000852107425	EG	On-Demand	Mild	PDS	58	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852107426	GG	On-Demand	Mild	PDS	73	40
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852107427	GG	On-Demand	Mild	PDS	73	40
C#CCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852107435	CD	On-Demand	Mild	CACNA1I	49	34
O=C(NCCOc1cccnc1)NCc1cccnc1N1CCCC1	ZINC000852107439	ED	On-Demand	Anodyne	HRH2	28	45
O=C(NCCOc1cccnc1)NCc1cccnc1N1CCCC1	ZINC000852107439	ED	On-Demand	Anodyne	SCN2A	20	48
O=C(NCCOc1cccnc1)NCc1cccnc1N1CCCC1	ZINC000852107439	ED	On-Demand	Anodyne	SCN10A	29	48
O=C(NCCOc1cccnc1)NCc1cccnc1N1CCCC1	ZINC000852107439	ED	On-Demand	Anodyne	NAMPT	40	42
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1	ZINC000852107461	GC	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1	ZINC000852107464	GC	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1	ZINC000852107467	GC	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1	ZINC000852107468	GC	On-Demand	Mild	PDS	43	36
C#CCCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852107469	DF	On-Demand	Mild	P2RY14	43	35
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)c1	ZINC000852107473	FG	On-Demand	Mild	PDS	46	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852107474	FG	On-Demand	Mild	PDS	46	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)c1	ZINC000852107475	FG	On-Demand	Mild	PDS	46	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852107476	FG	On-Demand	Mild	PDS	46	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCOc2cccnc2)C1	ZINC000852107493	EE	On-Demand	Anodyne	CHRNA7	29	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCOc2cccnc2)C1	ZINC000852107494	EE	On-Demand	Anodyne	CHRNA7	29	41
C[C@@H](ON=Cc1cccs1)C(=O)Nc1ccc(Cl)cc1	ZINC000852107515	DH	On-Demand	Mild	IMDH_CRYPV	28	41
C#CCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852107516	CE	On-Demand	Mild	MTNR1A	30	44
C#CCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852107516	CE	On-Demand	Mild	MTNR1B	19	44
C#CCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852107516	CE	On-Demand	Mild	HNMT	40	34
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852107563	GH	On-Demand	Mild	MTNR1A	43	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852107563	GH	On-Demand	Mild	MTNR1B	31	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852107563	GH	On-Demand	Mild	PDS	62	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852107564	GH	On-Demand	Mild	MTNR1A	43	43
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852107564	GH	On-Demand	Mild	MTNR1B	31	43
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852107564	GH	On-Demand	Mild	PDS	62	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCOC(C)(C)C)c1	ZINC000852107569	EG	On-Demand	Mild	HRH2	30	44
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCOC(C)(C)C)c1	ZINC000852107569	EG	On-Demand	Mild	PDS	58	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCOC(C)(C)C)c1	ZINC000852107570	EG	On-Demand	Mild	HRH2	30	44
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCOC(C)(C)C)c1	ZINC000852107570	EG	On-Demand	Mild	PDS	58	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)c1	ZINC000852107579	FG	On-Demand	Mild	HRH2	17	43
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)CN2CCC(C)CC2)c1	ZINC000852107580	FG	On-Demand	Mild	HRH2	17	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)CN2CCC(C)CC2)c1	ZINC000852107581	FG	On-Demand	Mild	HRH2	17	43
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)c1	ZINC000852107582	FG	On-Demand	Mild	HRH2	17	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852107587	CF	On-Demand	Mild	PDS	48	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852107588	CF	On-Demand	Mild	PDS	48	38
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852107589	CF	On-Demand	Mild	PDS	48	38
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852107590	CF	On-Demand	Mild	PDS	48	38
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2cnccc2C)c1	ZINC000852107592	FG	On-Demand	Mild	ROCK2	22	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2cnccc2C)c1	ZINC000852107593	FG	On-Demand	Mild	ROCK2	22	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2nsc3ccccc23)c1	ZINC000852107598	GI	On-Demand	Mild	PDS	45	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2nsc3ccccc23)c1	ZINC000852107599	GI	On-Demand	Mild	PDS	45	35
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@@H]2CCc3ccccc32)c1	ZINC000852107600	GI	On-Demand	Mild	PDS	54	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H]2CCc3ccccc32)c1	ZINC000852107601	GI	On-Demand	Mild	PDS	54	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@@H]2CCc3ccccc32)c1	ZINC000852107602	GI	On-Demand	Mild	PDS	54	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)C[C@H]2CCc3ccccc32)c1	ZINC000852107603	GI	On-Demand	Mild	PDS	54	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1	ZINC000852107607	GG	On-Demand	Mild	CCR3	43	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)c1	ZINC000852107608	GG	On-Demand	Mild	CCR3	43	39
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1	ZINC000852107609	GG	On-Demand	Mild	CCR3	43	39
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)c1	ZINC000852107610	GG	On-Demand	Mild	CCR3	43	39
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852107612	FE	On-Demand	Mild	PDS	47	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852107613	FE	On-Demand	Mild	PDS	47	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852107618	FG	On-Demand	Mild	PDS	51	43
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852107619	FG	On-Demand	Mild	PDS	51	43
COCCN(CCF)C(=O)NCC1(c2ccc(OC)c(OC)c2)CCCCC1	ZINC000852107620	GH	On-Demand	Anodyne	KCNA3	41	35
CCOc1cc(CNC(=O)NNC(=O)c2cn(C)nn2)ccc1OC	ZINC000852107621	EC	On-Demand	Reactive	HCN1	57	34
CCOc1cc(CNC(=O)NNC(=O)c2cn(C)nn2)ccc1OC	ZINC000852107621	EC	On-Demand	Reactive	HCN4	40	31
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2cn(C)c3ccccc23)c1	ZINC000852107629	GH	On-Demand	Mild	NQO2	17	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2cn(C)c3ccccc23)c1	ZINC000852107629	GH	On-Demand	Mild	MTNR1A	34	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2cn(C)c3ccccc23)c1	ZINC000852107629	GH	On-Demand	Mild	MTNR1B	23	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2cn(C)c3ccccc23)c1	ZINC000852107629	GH	On-Demand	Mild	PDS	46	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2cn(C)c3ccccc23)c1	ZINC000852107630	GH	On-Demand	Mild	NQO2	17	42
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2cn(C)c3ccccc23)c1	ZINC000852107630	GH	On-Demand	Mild	MTNR1A	34	42
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2cn(C)c3ccccc23)c1	ZINC000852107630	GH	On-Demand	Mild	MTNR1B	23	42
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2cn(C)c3ccccc23)c1	ZINC000852107630	GH	On-Demand	Mild	PDS	46	36
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCOc1cccnc1	ZINC000852107640	CE	On-Demand	Anodyne	NAMPT	23	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852107641	GG	On-Demand	Mild	ROCK2	29	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852107641	GG	On-Demand	Mild	PDS	60	38
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852107642	GG	On-Demand	Mild	ROCK2	29	42
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852107642	GG	On-Demand	Mild	PDS	60	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852107643	GG	On-Demand	Mild	PDS	73	42
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852107644	GG	On-Demand	Mild	PDS	73	42
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)c1	ZINC000852107654	DF	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)c1	ZINC000852107655	DF	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)c1	ZINC000852107656	DF	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)c1	ZINC000852107657	DF	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](N(C)c3ccccc3)C2)c1	ZINC000852107661	GH	On-Demand	Mild	P2RY12	16	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](N(C)c3ccccc3)C2)c1	ZINC000852107661	GH	On-Demand	Mild	PDS	61	37
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)c1	ZINC000852107662	GH	On-Demand	Mild	P2RY12	16	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)c1	ZINC000852107662	GH	On-Demand	Mild	PDS	61	37
C#CCCNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852107682	FE	On-Demand	Mild	EPHX2	20	40
C#CCCNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852107682	FE	On-Demand	Mild	RBP4	59	39
C[C@@H](CNC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2)Oc1ccccc1	ZINC000852107712	GG	On-Demand	Anodyne	FPR1	42	34
C[C@H](CNC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2)Oc1ccccc1	ZINC000852107713	GG	On-Demand	Anodyne	FPR1	42	34
C#CCCNC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852107726	DD	On-Demand	Mild	SIGMAR1	15	46
C#CCCNC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852107727	DD	On-Demand	Mild	SIGMAR1	15	46
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)c1	ZINC000852107763	GH	On-Demand	Mild	P2RY12	16	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)c1	ZINC000852107763	GH	On-Demand	Mild	PDS	61	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](N(C)c3ccccc3)C2)c1	ZINC000852107764	GH	On-Demand	Mild	P2RY12	16	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[C@H](N(C)c3ccccc3)C2)c1	ZINC000852107764	GH	On-Demand	Mild	PDS	61	37
O=C(NCCOc1cccnc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852107765	CD	On-Demand	Anodyne	CHRNA7	57	41
O=C(NCCOc1cccnc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852107765	CD	On-Demand	Anodyne	NAMPT	41	37
O=C(NCCOc1cccnc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852107766	CD	On-Demand	Anodyne	CHRNA7	57	41
O=C(NCCOc1cccnc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852107766	CD	On-Demand	Anodyne	NAMPT	41	37
O=C(NCCOc1cccnc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852107767	CD	On-Demand	Anodyne	CHRNA7	57	41
O=C(NCCOc1cccnc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852107767	CD	On-Demand	Anodyne	NAMPT	41	37
O=C(NCCOc1cccnc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852107768	CD	On-Demand	Anodyne	CHRNA7	57	41
O=C(NCCOc1cccnc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852107768	CD	On-Demand	Anodyne	NAMPT	41	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C)O2)c1	ZINC000852107771	EG	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](C)O2)c1	ZINC000852107772	EG	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCC[C@@H](C)O2)c1	ZINC000852107773	EG	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCC[C@H](C)O2)c1	ZINC000852107774	EG	On-Demand	Mild	PDS	43	36
COc1cccc(OC)c1CNC(=O)NCCOc1cccnc1	ZINC000852107775	ED	On-Demand	Anodyne	PTAFR	17	46
COc1cccc(OC)c1CNC(=O)NCCOc1cccnc1	ZINC000852107775	ED	On-Demand	Anodyne	MTNR1A	15	44
COc1cccc(OC)c1CNC(=O)NCCOc1cccnc1	ZINC000852107775	ED	On-Demand	Anodyne	MTNR1B	15	44
O=C(NCCOc1cccnc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852107776	CD	On-Demand	Anodyne	CHRNA7	59	42
O=C(NCCOc1cccnc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852107776	CD	On-Demand	Anodyne	EPHX2	18	42
O=C(NCCOc1cccnc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852107776	CD	On-Demand	Anodyne	NAMPT	44	40
O=C(NCCOc1cccnc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852107777	CD	On-Demand	Anodyne	CHRNA7	59	42
O=C(NCCOc1cccnc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852107777	CD	On-Demand	Anodyne	EPHX2	18	42
O=C(NCCOc1cccnc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852107777	CD	On-Demand	Anodyne	NAMPT	44	40
O=C(NCCOc1cccnc1)N1CC[C@H]2C[C@H]2C1	ZINC000852107778	CD	On-Demand	Anodyne	CHRNA7	59	42
O=C(NCCOc1cccnc1)N1CC[C@H]2C[C@H]2C1	ZINC000852107778	CD	On-Demand	Anodyne	EPHX2	18	42
O=C(NCCOc1cccnc1)N1CC[C@H]2C[C@H]2C1	ZINC000852107778	CD	On-Demand	Anodyne	NAMPT	44	40
O=C(NCCOc1cccnc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852107779	CD	On-Demand	Anodyne	CHRNA7	59	42
O=C(NCCOc1cccnc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852107779	CD	On-Demand	Anodyne	EPHX2	18	42
O=C(NCCOc1cccnc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852107779	CD	On-Demand	Anodyne	NAMPT	44	40
O=C(NCCOc1cccnc1)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852107780	GG	On-Demand	Anodyne	CHRNA7	22	40
O=C(NCCOc1cccnc1)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852107780	GG	On-Demand	Anodyne	P2RY14	41	39
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC3CC2(c2ccccc2)C3)c1	ZINC000852107786	GI	On-Demand	Mild	PDS	54	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC3CC2(c2ccccc2)C3)c1	ZINC000852107787	GI	On-Demand	Mild	PDS	54	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC(F)(F)c2cccc(F)c2)c1	ZINC000852107788	GI	On-Demand	Mild	PDS	66	41
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC(F)(F)c2cccc(F)c2)c1	ZINC000852107789	GI	On-Demand	Mild	PDS	66	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cscn2)c1	ZINC000852107790	EG	On-Demand	Mild	PDS	49	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cscn2)c1	ZINC000852107791	EG	On-Demand	Mild	PDS	49	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cscn2)c1	ZINC000852107792	EG	On-Demand	Mild	PDS	49	38
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cscn2)c1	ZINC000852107793	EG	On-Demand	Mild	PDS	49	38
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cnccc2C(F)(F)F)c1	ZINC000852107806	GH	On-Demand	Mild	ROCK2	22	40
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cnccc2C(F)(F)F)c1	ZINC000852107806	GH	On-Demand	Mild	PDS	59	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cnccc2C(F)(F)F)c1	ZINC000852107807	GH	On-Demand	Mild	ROCK2	22	40
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cnccc2C(F)(F)F)c1	ZINC000852107807	GH	On-Demand	Mild	PDS	59	36
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCOc1cccnc1	ZINC000852107808	DF	On-Demand	Mild	VCP	48	34
C=CC[C@H]1CCCC[C@H]1NC(=O)NCCOc1cccnc1	ZINC000852107809	DF	On-Demand	Mild	VCP	48	34
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCOc1cccnc1	ZINC000852107810	DF	On-Demand	Mild	VCP	48	34
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCOc1cccnc1	ZINC000852107811	DF	On-Demand	Mild	VCP	48	34
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C[C@H](C)n3ncnc32)c1	ZINC000852107812	FE	On-Demand	Mild	PDS	47	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1	ZINC000852107813	FE	On-Demand	Mild	PDS	47	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1	ZINC000852107814	FE	On-Demand	Mild	PDS	47	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1	ZINC000852107815	FE	On-Demand	Mild	PDS	47	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cn(CC)nn2)c1	ZINC000852107818	ED	On-Demand	Mild	PDS	41	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cn(CC)nn2)c1	ZINC000852107819	ED	On-Demand	Mild	PDS	41	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@]2(C)CC2(F)F)c1	ZINC000852107825	EG	On-Demand	Mild	PDS	65	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@]2(C)CC2(F)F)c1	ZINC000852107826	EG	On-Demand	Mild	PDS	65	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@]2(C)CC2(F)F)c1	ZINC000852107827	EG	On-Demand	Mild	PDS	65	37
CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@]2(C)CC2(F)F)c1	ZINC000852107828	EG	On-Demand	Mild	PDS	65	37
O=C(NCCOc1cccnc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852107830	DF	On-Demand	Anodyne	CHRNA7	32	43
O=C(NCCOc1cccnc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852107831	DF	On-Demand	Anodyne	CHRNA7	32	43
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCOCCF)c1	ZINC000852107832	DE	On-Demand	Mild	PDS	58	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCOCCF)c1	ZINC000852107833	DE	On-Demand	Mild	PDS	58	37
O=C(NCCOc1cccnc1)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852107838	ED	On-Demand	Anodyne	HRH2	31	40
O=C(NCCOc1cccnc1)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852107838	ED	On-Demand	Anodyne	VCP	50	33
O=C(NCCOc1cccnc1)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852107839	ED	On-Demand	Anodyne	HRH2	31	40
O=C(NCCOc1cccnc1)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852107839	ED	On-Demand	Anodyne	VCP	50	33
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4c(c3)CCO4)C2)cc1	ZINC000852107845	GF	On-Demand	Clean	EDNRA	23	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4c(c3)CCO4)C2)cc1	ZINC000852107845	GF	On-Demand	Clean	MTNR1A	36	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4c(c3)CCO4)C2)cc1	ZINC000852107845	GF	On-Demand	Clean	MTNR1B	29	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4c(c3)CCO4)C2)cc1	ZINC000852107845	GF	On-Demand	Clean	MCHR1	20	47
O=C(NCCOc1cccnc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852107858	EE	On-Demand	Anodyne	EPHX2	28	44
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000852107963	GF	On-Demand	Mild	LGMN	46	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000852107963	GF	On-Demand	Mild	DPP7	28	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000852107964	GF	On-Demand	Mild	LGMN	46	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000852107964	GF	On-Demand	Mild	DPP7	28	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000852107965	GF	On-Demand	Mild	LGMN	46	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000852107965	GF	On-Demand	Mild	DPP7	28	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000852107966	GF	On-Demand	Mild	LGMN	46	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000852107966	GF	On-Demand	Mild	DPP7	28	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cc(COC)cs2)c1	ZINC000852107969	FH	On-Demand	Mild	PDS	43	35
CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cc(COC)cs2)c1	ZINC000852107970	FH	On-Demand	Mild	PDS	43	35
O=C(NCCCC1CCC1)NCCOc1cccnc1	ZINC000852107971	CE	On-Demand	Anodyne	HRH2	27	40
O=C(NCCCC1CCC1)NCCOc1cccnc1	ZINC000852107971	CE	On-Demand	Anodyne	NAMPT	22	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852107988	FI	On-Demand	Mild	EPHX2	19	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852107988	FI	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852107989	FI	On-Demand	Mild	EPHX2	19	42
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852107989	FI	On-Demand	Mild	PDS	43	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2[C@H]3CC[C@H]2CC(C)C3)c1	ZINC000852107990	EH	On-Demand	Mild	PDS	46	38
CC[C@H](C#N)Oc1cccc(CNC(=O)N2[C@H]3CC[C@H]2CC(C)C3)c1	ZINC000852107991	EH	On-Demand	Mild	PDS	46	38
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)c1	ZINC000852107992	EH	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c1	ZINC000852107993	EH	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)c1	ZINC000852107994	EH	On-Demand	Mild	PDS	43	36
CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]23)c1	ZINC000852107995	EH	On-Demand	Mild	PDS	43	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC(C)(C)F)c1	ZINC000852108001	DG	On-Demand	Mild	PDS	67	38
CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC(C)(C)F)c1	ZINC000852108002	DG	On-Demand	Mild	PDS	67	38
COc1ccc(N2CC[C@H](NC(=O)NCCOc3cccnc3)C2)cc1	ZINC000852108008	FE	On-Demand	Clean	HRH2	18	40
COc1ccc(N2CC[C@H](NC(=O)NCCOc3cccnc3)C2)cc1	ZINC000852108008	FE	On-Demand	Clean	CHRNA7	27	41
COc1ccc(N2CC[C@H](NC(=O)NCCOc3cccnc3)C2)cc1	ZINC000852108008	FE	On-Demand	Clean	C3AR1	21	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2(S(=O)(=O)CC)CC2)c1	ZINC000852108012	GE	On-Demand	Mild	PDS	44	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2(S(=O)(=O)CC)CC2)c1	ZINC000852108013	GE	On-Demand	Mild	PDS	44	37
CCOc1cc(CNC(=O)NC[C@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108016	GH	On-Demand	Anodyne	CTSD	16	42
CCOc1cc(CNC(=O)NC[C@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108016	GH	On-Demand	Anodyne	MTNR1A	25	47
CCOc1cc(CNC(=O)NC[C@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108016	GH	On-Demand	Anodyne	ROCK2	19	42
CCOc1cc(CNC(=O)NC[C@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108016	GH	On-Demand	Anodyne	F7	16	42
CCOc1cc(CNC(=O)NC[C@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108016	GH	On-Demand	Anodyne	DRTS_TRYCR	48	35
CCOc1cc(CNC(=O)NC[C@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108016	GH	On-Demand	Anodyne	PDS	54	35
CCOc1cc(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108017	GH	On-Demand	Anodyne	CTSD	16	42
CCOc1cc(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108017	GH	On-Demand	Anodyne	MTNR1A	25	47
CCOc1cc(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108017	GH	On-Demand	Anodyne	ROCK2	19	42
CCOc1cc(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108017	GH	On-Demand	Anodyne	F7	16	42
CCOc1cc(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108017	GH	On-Demand	Anodyne	DRTS_TRYCR	48	35
CCOc1cc(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)ccc1OC	ZINC000852108017	GH	On-Demand	Anodyne	PDS	54	35
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1	ZINC000852108018	GD	On-Demand	Mild	PDS	49	36
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1	ZINC000852108019	GD	On-Demand	Mild	PDS	49	36
Cn1cc(CCNC(=O)NCCOc2cccnc2)c2ccccc21	ZINC000852108020	EE	On-Demand	Anodyne	MTNR1A	37	44
Cn1cc(CCNC(=O)NCCOc2cccnc2)c2ccccc21	ZINC000852108020	EE	On-Demand	Anodyne	MTNR1B	27	44
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC2=CCCC2)c1	ZINC000852108021	DG	On-Demand	Mild	PDS	50	37
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC2=CCCC2)c1	ZINC000852108022	DG	On-Demand	Mild	PDS	50	37
O=C(NCCOc1cccnc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852108025	FF	On-Demand	Anodyne	ADRB2	19	41
O=C(NCCOc1cccnc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852108025	FF	On-Demand	Anodyne	ADRB1	34	41
O=C(NCCOc1cccnc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852108025	FF	On-Demand	Anodyne	ADRB3	51	42
O=C(NCCOc1cccnc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852108026	FF	On-Demand	Anodyne	ADRB2	19	41
O=C(NCCOc1cccnc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852108026	FF	On-Demand	Anodyne	ADRB1	34	41
O=C(NCCOc1cccnc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852108026	FF	On-Demand	Anodyne	ADRB3	51	42
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1	ZINC000852108037	GE	On-Demand	Mild	F2	16	41
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1	ZINC000852108037	GE	On-Demand	Mild	LGMN	46	34
CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1	ZINC000852108037	GE	On-Demand	Mild	TMPRSS11D	43	33
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1	ZINC000852108038	GE	On-Demand	Mild	F2	16	41
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1	ZINC000852108038	GE	On-Demand	Mild	LGMN	46	34
CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1	ZINC000852108038	GE	On-Demand	Mild	TMPRSS11D	43	33
CC[C@@H](C#N)Oc1cccc(CNC(=O)N(CCF)CCOC)c1	ZINC000852108043	EE	On-Demand	Mild	PDS	51	35
CC[C@H](C#N)Oc1cccc(CNC(=O)N(CCF)CCOC)c1	ZINC000852108044	EE	On-Demand	Mild	PDS	51	35
C#CCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852108172	CD	On-Demand	Mild	DRD4	45	35
C#CCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852108172	CD	On-Demand	Mild	DRD5	18	44
C#CCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852108172	CD	On-Demand	Mild	MTNR1A	55	42
C#CCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852108172	CD	On-Demand	Mild	MTNR1B	49	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3)C2)cc1	ZINC000852108190	FG	On-Demand	Clean	MTNR1A	25	49
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3)C2)cc1	ZINC000852108190	FG	On-Demand	Clean	MTNR1B	22	49
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3)C2)cc1	ZINC000852108190	FG	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3)C2)cc1	ZINC000852108191	FG	On-Demand	Clean	MTNR1A	25	49
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3)C2)cc1	ZINC000852108191	FG	On-Demand	Clean	MTNR1B	22	49
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3)C2)cc1	ZINC000852108191	FG	On-Demand	Clean	MCHR1	17	41
C#CCCNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852108204	CE	On-Demand	Mild	MTNR1A	15	45
C#CCCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852108216	CF	On-Demand	Mild	DNAE	69	34
C#CCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852108275	CC	On-Demand	Mild	CA2	19	40
C#CCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852108275	CC	On-Demand	Mild	CA1	18	40
C#CCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852108275	CC	On-Demand	Mild	CA4	15	40
C#CCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852108279	DE	On-Demand	Mild	SSTR3	34	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CCOC3)C2)cc1	ZINC000852108372	ED	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CCOC3)C2)cc1	ZINC000852108374	ED	On-Demand	Clean	MTNR1B	15	43
CN1CC[C@@]2(CCCN(Cc3cc(=O)oc4cc(O)ccc34)C2)C1	ZINC000852108408	EE	On-Demand	Anodyne	HSD17B3	33	49
CCC(CC)(CNC(=O)NCCS(=O)(=O)C(C)(C)C)c1ccc(F)cc1	ZINC000852108420	GG	On-Demand	Anodyne	CACNA1G	37	43
O=C(NCCc1ccc(F)cc1Cl)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852108449	FE	On-Demand	Anodyne	P2RX7	72	46
O=C(NCCc1ccc(F)cc1Cl)N1CC[C@H](N2CCOC2=O)C1	ZINC000852108450	FE	On-Demand	Anodyne	P2RX7	72	46
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@]2(CCN(C)C2)C1	ZINC000852108482	EE	On-Demand	Anodyne	G2YM83_BOTF4	59	34
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@@]2(CCN(C)C2)C1	ZINC000852108483	EE	On-Demand	Anodyne	G2YM83_BOTF4	59	34
O=C(NCCc1ccc(F)cc1Cl)N[C@@H]1C=CCC1	ZINC000852108514	CG	On-Demand	Anodyne	P2RX7	73	45
O=C(NCCc1ccc(F)cc1Cl)N[C@@H]1C=CCC1	ZINC000852108514	CG	On-Demand	Anodyne	MC5R	16	40
O=C(NCCc1ccc(F)cc1Cl)N[C@H]1C=CCC1	ZINC000852108515	CG	On-Demand	Anodyne	P2RX7	73	45
O=C(NCCc1ccc(F)cc1Cl)N[C@H]1C=CCC1	ZINC000852108515	CG	On-Demand	Anodyne	MC5R	16	40
COc1ccc2c(CN3CCC[C@@]4(CCN(C)C4)C3)cc(=O)oc2c1	ZINC000852108540	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCC[C@]4(CCN(C)C4)C3)cc(=O)oc2c1	ZINC000852108541	EF	On-Demand	Anodyne	CYP11B1	16	41
CN1CC[C@@]2(CCCN(Cc3ccc(OCC#N)cc3)C2)C1	ZINC000852108599	CF	On-Demand	Mild	HRH3	19	40
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(=O)N(C)C)CCCC3)C2)cc1	ZINC000852108633	GE	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(=O)N(C)C)CCCC3)C2)cc1	ZINC000852108633	GE	On-Demand	Clean	MTNR1B	16	43
O=C(NCCc1ccc(F)cc1Cl)NCCS(=O)(=O)CC(F)(F)F	ZINC000852108646	GE	On-Demand	Anodyne	P2RX7	43	41
O=C(NCc1ccnc(OC2CCOCC2)c1)NCc1ncccn1	ZINC000852108823	ED	On-Demand	Anodyne	MAPK1	43	31
O=C1CCC2=C(CCN(C(=O)NCCc3ccc(F)cc3Cl)C2)N1	ZINC000852108882	FF	On-Demand	Anodyne	P2RX7	65	43
O=C(NCCc1ccc(F)cc1Cl)NCCC1SCCS1	ZINC000852108889	EH	On-Demand	Anodyne	P2RX7	60	41
O=C(NCCc1ccc(F)cc1Cl)NCC1SCCS1	ZINC000852108890	EG	On-Demand	Anodyne	P2RX7	59	41
O=C(NCCc1ccc(F)cc1Cl)N1CCC(N2CCOC2=O)CC1	ZINC000852108898	FF	On-Demand	Anodyne	P2RX7	67	46
O=C(NCCc1ccc(F)cc1Cl)NCC[S@@](=O)CC(F)(F)F	ZINC000852108968	FF	On-Demand	Anodyne	P2RX7	41	41
O=C(NCCc1ccc(F)cc1Cl)NCC[S@](=O)CC(F)(F)F	ZINC000852108969	FF	On-Demand	Anodyne	P2RX7	41	41
C#C[C@H](NC(=O)NCCc1ccc(F)cc1Cl)C1CCOCC1	ZINC000852109024	EF	On-Demand	Mild	P2RX7	47	40
C#C[C@@H](NC(=O)NCCc1ccc(F)cc1Cl)C1CCOCC1	ZINC000852109025	EF	On-Demand	Mild	P2RX7	47	40
COC(=O)N(C)CCNC(=O)NCCc1ccc(F)cc1Cl	ZINC000852109030	EE	On-Demand	Anodyne	P2RX7	48	41
COCCN(CCF)C(=O)NCCc1ccc(F)cc1Cl	ZINC000852109068	DF	On-Demand	Anodyne	P2RX7	43	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCc2ccc(F)cc2Cl)O1	ZINC000852109170	FD	On-Demand	Reactive	P2RX7	76	45
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCc2ccc(F)cc2Cl)O1	ZINC000852109171	FD	On-Demand	Reactive	P2RX7	76	45
O=C(NCCc1ccc(F)cc1Cl)N[C@H]1COC2(CCC2)C1	ZINC000852109225	EG	On-Demand	Anodyne	P2RX7	43	39
O=C(NCCc1ccc(F)cc1Cl)N[C@@H]1COC2(CCC2)C1	ZINC000852109226	EG	On-Demand	Anodyne	P2RX7	43	39
CN1CC[C@@]2(CCCN(Cc3ccc(Cl)nc3)C2)C1	ZINC000852109305	CF	On-Demand	Anodyne	CHRNA4	16	40
CN1CC[C@@]2(CCCN(Cc3ccc(Cl)nc3)C2)C1	ZINC000852109305	CF	On-Demand	Anodyne	Q8WSF8_APLCA	42	40
CN1CC[C@@]2(CCCN(Cc3ccc(Cl)nc3)C2)C1	ZINC000852109305	CF	On-Demand	Anodyne	NACHRBETA2	49	40
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852109359	GG	On-Demand	Mild	NPY2R	67	46
Fc1cccc(N2CCCN(Cc3ccc4nonc4c3)CC2)c1F	ZINC000852109360	EG	On-Demand	Anodyne	HTR1A	15	44
Fc1cccc(N2CCCN(Cc3ccc4nonc4c3)CC2)c1F	ZINC000852109360	EG	On-Demand	Anodyne	DRD2	18	40
Fc1cccc(N2CCCN(Cc3ccc4nonc4c3)CC2)c1F	ZINC000852109360	EG	On-Demand	Anodyne	DRD4	19	40
C#CCNC(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109362	DD	On-Demand	Mild	HTR1A	80	45
C#CCNC(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109362	DD	On-Demand	Mild	DRD2	69	46
C#CCNC(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109362	DD	On-Demand	Mild	DRD4	45	37
C#CCNC(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109362	DD	On-Demand	Mild	ADRA1D	38	40
C#CCNC(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109362	DD	On-Demand	Mild	HTR2A	42	40
C#CCNC(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109362	DD	On-Demand	Mild	DRD3	89	46
C#CCNC(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109362	DD	On-Demand	Mild	HTR7	72	44
C#CCNC(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109362	DD	On-Demand	Mild	KCNQ2	55	36
CC(=O)Oc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852109371	FH	On-Demand	Anodyne	HTR1A	43	44
CC(=O)Oc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852109371	FH	On-Demand	Anodyne	DRD2	51	44
CC(=O)Oc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852109371	FH	On-Demand	Anodyne	DRD4	55	38
CC(=O)Oc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852109371	FH	On-Demand	Anodyne	DRD3	40	41
O=C(NCc1coc2ccccc12)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852109372	FD	On-Demand	Reactive	INHA	40	32
Fc1cc(CN2CCCN(c3cccc(F)c3F)CC2)cnc1Cl	ZINC000852109374	FH	On-Demand	Anodyne	HTR1A	15	45
Fc1cc(CN2CCCN(c3cccc(F)c3F)CC2)cnc1Cl	ZINC000852109374	FH	On-Demand	Anodyne	DRD2	23	45
Fc1cc(CN2CCCN(c3cccc(F)c3F)CC2)cnc1Cl	ZINC000852109374	FH	On-Demand	Anodyne	DRD4	35	45
Fc1cc(CN2CCCN(c3cccc(F)c3F)CC2)cnc1Cl	ZINC000852109374	FH	On-Demand	Anodyne	DRD3	18	45
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2coc3ccccc23)O1	ZINC000852109387	EC	On-Demand	Reactive	INHA	66	33
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2coc3ccccc23)O1	ZINC000852109388	EC	On-Demand	Reactive	INHA	66	33
O=C1OCC[C@H]1CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109401	DE	On-Demand	Anodyne	HTR1A	34	43
O=C1OCC[C@@H]1CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109402	DE	On-Demand	Anodyne	HTR1A	34	43
C[C@H](C(=O)Nc1cccnc1Cl)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852109405	GH	On-Demand	Anodyne	KCNQ2	72	41
C[C@H](C(=O)Nc1cccnc1Cl)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852109405	GH	On-Demand	Anodyne	G2YM83_BOTF4	51	34
Fc1cccc(N2CCCN(Cc3ccnc(Cl)c3)CC2)c1F	ZINC000852109416	EH	On-Demand	Anodyne	HTR1A	18	43
Fc1cccc(N2CCCN(Cc3ccnc(Cl)c3)CC2)c1F	ZINC000852109416	EH	On-Demand	Anodyne	DRD2	28	41
Fc1cccc(N2CCCN(Cc3ccnc(Cl)c3)CC2)c1F	ZINC000852109416	EH	On-Demand	Anodyne	DRD4	40	43
Fc1cccc(N2CCCN(Cc3ccnc(Cl)c3)CC2)c1F	ZINC000852109416	EH	On-Demand	Anodyne	DRD3	20	43
COC(=O)N(C)CCNC(=O)NCc1cc(C(C)C)no1	ZINC000852109423	CD	On-Demand	Anodyne	SLC5A7	24	41
COCCN(CCF)C(=O)N[C@@H]1CCCOc2ccc(F)cc21	ZINC000852109427	EF	On-Demand	Anodyne	ACKR3	44	32
O=C(NCCOc1cccnc1)N1CCC[C@H](C2CCC2)C1	ZINC000852109448	DF	On-Demand	Anodyne	CHRNA7	46	40
O=C(NCCOc1cccnc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852109449	DF	On-Demand	Anodyne	CHRNA7	46	40
O=C(NC[C@H]1CCCN1Cc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852109464	FD	On-Demand	Reactive	DRD2	40	49
O=C(NC[C@H]1CCCN1Cc1ccccc1)NNC(=O)c1cccc(F)n1	ZINC000852109464	FD	On-Demand	Reactive	SIGMAR1	16	48
N#CCCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109471	DD	On-Demand	Mild	HTR1A	20	43
N#CCCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109471	DD	On-Demand	Mild	DRD2	26	43
N#CCCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109471	DD	On-Demand	Mild	DRD4	42	33
N#CCCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109471	DD	On-Demand	Mild	DRD3	43	43
O=C(NCCC1SCCS1)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109480	FG	On-Demand	Anodyne	DRD2	37	47
O=C(NCCC1SCCS1)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109480	FG	On-Demand	Anodyne	SIGMAR1	23	48
O=C(NCCC1SCCS1)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109481	FG	On-Demand	Anodyne	DRD2	37	47
O=C(NCCC1SCCS1)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109481	FG	On-Demand	Anodyne	SIGMAR1	23	48
O=C(NCc1ncccn1)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109483	ED	On-Demand	Anodyne	DRD2	36	48
O=C(NCc1ncccn1)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109483	ED	On-Demand	Anodyne	SIGMAR1	27	48
O=C(NCc1ncccn1)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109484	ED	On-Demand	Anodyne	DRD2	36	48
O=C(NCc1ncccn1)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109484	ED	On-Demand	Anodyne	SIGMAR1	27	48
N#C[C@@H](c1ccccc1)N1CC[C@@H](F)C1	ZINC000852109485	BE	On-Demand	Mild	PTAFR	22	41
N#C[C@H](c1ccccc1)N1CC[C@H](F)C1	ZINC000852109486	BE	On-Demand	Mild	PTAFR	22	41
N#C[C@@H](c1ccccc1)N1CC[C@H](F)C1	ZINC000852109487	BE	On-Demand	Mild	PTAFR	22	41
N#C[C@H](c1ccccc1)N1CC[C@@H](F)C1	ZINC000852109488	BE	On-Demand	Mild	PTAFR	22	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852109504	GF	On-Demand	Anodyne	CACNA1I	45	35
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852109505	GF	On-Demand	Anodyne	CACNA1I	45	35
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCc3nccnc3C2)C1	ZINC000852109509	FD	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCc3nccnc3C2)C1	ZINC000852109510	FD	On-Demand	Anodyne	GPR119	31	42
C#CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852109545	GE	On-Demand	Mild	EPHX2	18	49
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(Cl)nc1	ZINC000852109556	GG	On-Demand	Anodyne	DRD2	24	45
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(Cl)nc1	ZINC000852109556	GG	On-Demand	Anodyne	DRD4	27	42
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(Cl)nc1	ZINC000852109556	GG	On-Demand	Anodyne	DRD3	42	39
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(Cl)nc1	ZINC000852109556	GG	On-Demand	Anodyne	SLC27A1	62	39
N#CCOc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852109560	FH	On-Demand	Mild	DRD2	19	44
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	HTR1A	100	48
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	DRD2	86	62
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	DRD1	17	50
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	DRD4	55	44
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	ADRA1D	52	42
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	HTR2A	55	45
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	HTR2C	37	45
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	SLC6A4	23	44
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	ADRA1A	52	42
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	ADRA1B	32	42
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	DRD3	107	50
CC(C)(C)OC(=O)NCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109573	FG	On-Demand	Anodyne	HTR7	62	39
O=C(NCCOc1cccnc1)NCC1CCN(CC2CC2)CC1	ZINC000852109574	ED	On-Demand	Anodyne	CACNA1I	57	34
O=C(NCc1ncccn1)N[C@@H]1CCOc2c(Cl)cccc21	ZINC000852109575	DE	On-Demand	Anodyne	TRAR	40	33
O=C(NCc1ncccn1)N[C@H]1CCOc2c(Cl)cccc21	ZINC000852109576	DE	On-Demand	Anodyne	TRAR	40	33
Fc1cccc(N2CCCN(CCOC(F)F)CC2)c1F	ZINC000852109583	DF	On-Demand	Anodyne	DRD2	33	40
Fc1cccc(N2CCCN(CCOC(F)F)CC2)c1F	ZINC000852109583	DF	On-Demand	Anodyne	SLC6A4	17	40
Fc1cccc(N2CCCN(CCOC(F)F)CC2)c1F	ZINC000852109583	DF	On-Demand	Anodyne	SLC6A3	28	40
O=C(NCCC1SCCS1)NCc1ccc(F)cc1Br	ZINC000852109603	GH	On-Demand	Anodyne	P2RX7	29	47
C#CCOc1ccccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852109609	ED	On-Demand	Mild	EPHX2	36	47
Fc1cccc(N2CCCN(Cc3csc(Cl)n3)CC2)c1F	ZINC000852109633	EH	On-Demand	Anodyne	DRD4	24	44
CCCOc1ncccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852109636	FD	On-Demand	Anodyne	EPHX2	32	44
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109637	GE	On-Demand	Anodyne	DRD2	28	44
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109639	GE	On-Demand	Anodyne	DRD2	28	44
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109641	GE	On-Demand	Anodyne	DRD2	28	44
C#CCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109642	CF	On-Demand	Mild	HTR1A	77	38
C#CCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109642	CF	On-Demand	Mild	DRD2	64	44
C#CCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109642	CF	On-Demand	Mild	DRD1	18	44
C#CCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109642	CF	On-Demand	Mild	DRD4	32	44
C#CCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109642	CF	On-Demand	Mild	HTR2A	41	39
C#CCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109642	CF	On-Demand	Mild	ADRA1A	25	41
C#CCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109642	CF	On-Demand	Mild	DRD3	61	44
C#CCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109642	CF	On-Demand	Mild	HTR7	48	37
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109643	GE	On-Demand	Anodyne	DRD2	28	44
O=C(CCN1CCCN(c2cccc(F)c2F)CC1)N1CCCC1	ZINC000852109644	EE	On-Demand	Anodyne	HTR1A	66	45
O=C(CCN1CCCN(c2cccc(F)c2F)CC1)N1CCCC1	ZINC000852109644	EE	On-Demand	Anodyne	DRD2	54	45
O=C(CCN1CCCN(c2cccc(F)c2F)CC1)N1CCCC1	ZINC000852109644	EE	On-Demand	Anodyne	DRD4	36	45
O=C(CCN1CCCN(c2cccc(F)c2F)CC1)N1CCCC1	ZINC000852109644	EE	On-Demand	Anodyne	HTR2A	34	40
O=C(CCN1CCCN(c2cccc(F)c2F)CC1)N1CCCC1	ZINC000852109644	EE	On-Demand	Anodyne	DRD3	63	45
O=C(CCN1CCCN(c2cccc(F)c2F)CC1)N1CCCC1	ZINC000852109644	EE	On-Demand	Anodyne	HTR7	50	41
O=C(CCN1CCCN(c2cccc(F)c2F)CC1)N1CCCC1	ZINC000852109644	EE	On-Demand	Anodyne	KCNQ2	45	35
O=C(NCc1ccc(F)cc1Br)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852109666	GE	On-Demand	Anodyne	P2RX7	24	46
O=C(NCc1ccc(F)cc1Br)N1CC[C@H](N2CCOC2=O)C1	ZINC000852109668	GE	On-Demand	Anodyne	P2RX7	24	46
CCCS(=O)(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109671	EE	On-Demand	Anodyne	HTR1A	40	38
CCCS(=O)(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109671	EE	On-Demand	Anodyne	DRD2	30	43
CCCS(=O)(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109671	EE	On-Demand	Anodyne	DRD3	27	40
O=C1OCCN1CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109673	EE	On-Demand	Anodyne	HTR1A	66	42
O=C1OCCN1CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109673	EE	On-Demand	Anodyne	DRD2	50	45
O=C1OCCN1CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109673	EE	On-Demand	Anodyne	DRD1	16	42
O=C1OCCN1CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109673	EE	On-Demand	Anodyne	DRD4	20	42
O=C1OCCN1CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109673	EE	On-Demand	Anodyne	HTR2A	35	41
O=C1OCCN1CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109673	EE	On-Demand	Anodyne	ADRA1A	20	40
O=C1OCCN1CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109673	EE	On-Demand	Anodyne	ADRA1B	19	43
O=C1OCCN1CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109673	EE	On-Demand	Anodyne	DRD3	40	42
C#CCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109678	DD	On-Demand	Mild	HTR1A	39	42
C#CCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109678	DD	On-Demand	Mild	DRD2	45	43
C#CCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109678	DD	On-Demand	Mild	DRD4	42	34
C#CCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109678	DD	On-Demand	Mild	DRD3	74	43
C#CCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109678	DD	On-Demand	Mild	KCNQ2	64	37
C#CCNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109678	DD	On-Demand	Mild	SLC27A1	40	31
COC(=O)N(C)CCNC(=O)NCc1coc2ccccc12	ZINC000852109700	DD	On-Demand	Anodyne	MTNR1A	15	42
FCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109704	CE	On-Demand	Anodyne	HTR1A	56	42
FCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109704	CE	On-Demand	Anodyne	DRD2	47	43
FCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109704	CE	On-Demand	Anodyne	DRD4	28	43
FCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109704	CE	On-Demand	Anodyne	ADRA1D	18	42
FCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109704	CE	On-Demand	Anodyne	DRD3	44	43
C#CCOc1ccccc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852109711	FF	On-Demand	Mild	SCN2A	18	44
C#CCOc1ccccc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852109711	FF	On-Demand	Mild	SCN10A	25	44
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109719	ED	On-Demand	Anodyne	DRD2	44	51
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109719	ED	On-Demand	Anodyne	SIGMAR1	23	51
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109719	ED	On-Demand	Anodyne	ACKR3	43	32
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109721	ED	On-Demand	Anodyne	DRD2	44	51
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109721	ED	On-Demand	Anodyne	SIGMAR1	23	51
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109721	ED	On-Demand	Anodyne	ACKR3	43	32
O[C@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1F	ZINC000852109749	FG	On-Demand	Anodyne	KCNQ2	19	40
O[C@@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1F	ZINC000852109751	FG	On-Demand	Anodyne	KCNQ2	19	40
C#CCOc1ccccc1CNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852109752	FE	On-Demand	Mild	SSTR2	42	39
C#CCOc1ccccc1CNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852109752	FE	On-Demand	Mild	EPHX2	15	44
C#CCOc1ccccc1CNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852109752	FE	On-Demand	Mild	DPP7	24	40
C#CCOc1ccccc1CNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852109752	FE	On-Demand	Mild	BIRC2	50	38
C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852109753	FE	On-Demand	Mild	SSTR2	42	39
C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852109753	FE	On-Demand	Mild	EPHX2	15	44
C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852109753	FE	On-Demand	Mild	DPP7	24	40
C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852109753	FE	On-Demand	Mild	BIRC2	50	38
C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852109793	DF	On-Demand	Mild	EPHX2	15	48
C#CCOc1ccccc1CNC(=O)N1CCC[C@H](CCF)C1	ZINC000852109794	DF	On-Demand	Mild	EPHX2	15	48
C#CCOc1ccccc1CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852109805	FF	On-Demand	Mild	MBTPS1	41	35
C#CCOc1ccccc1CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852109806	FF	On-Demand	Mild	MBTPS1	41	35
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H](CO)C2CCC2)C1	ZINC000852109821	ED	On-Demand	Anodyne	BIRC2	22	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H](CO)C2CCC2)C1	ZINC000852109823	ED	On-Demand	Anodyne	BIRC2	22	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H](CO)C2CCC2)C1	ZINC000852109824	ED	On-Demand	Anodyne	BIRC2	22	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H](CO)C2CCC2)C1	ZINC000852109826	ED	On-Demand	Anodyne	BIRC2	22	41
C#C[C@H](NC(=O)NCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852109827	ED	On-Demand	Mild	NQO2	33	40
C#C[C@H](NC(=O)NCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852109827	ED	On-Demand	Mild	MTNR1A	81	41
C#C[C@H](NC(=O)NCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852109827	ED	On-Demand	Mild	MTNR1B	65	44
C#C[C@@H](NC(=O)NCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852109829	ED	On-Demand	Mild	NQO2	33	40
C#C[C@@H](NC(=O)NCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852109829	ED	On-Demand	Mild	MTNR1A	81	41
C#C[C@@H](NC(=O)NCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852109829	ED	On-Demand	Mild	MTNR1B	65	44
COCCN(CCF)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109838	EE	On-Demand	Anodyne	DRD2	47	52
COCCN(CCF)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109838	EE	On-Demand	Anodyne	SLC6A1	43	32
COCCN(CCF)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109838	EE	On-Demand	Anodyne	DRD3	15	53
COCCN(CCF)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109838	EE	On-Demand	Anodyne	LTA4H	19	43
COCCN(CCF)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109838	EE	On-Demand	Anodyne	SIGMAR1	33	53
COCCN(CCF)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109838	EE	On-Demand	Anodyne	PREP	44	35
COCCN(CCF)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109838	EE	On-Demand	Anodyne	MBTPS1	32	40
COCCN(CCF)C(=O)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852109838	EE	On-Demand	Anodyne	ACKR3	71	35
COCCN(CCF)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109842	EE	On-Demand	Anodyne	DRD2	47	52
COCCN(CCF)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109842	EE	On-Demand	Anodyne	SLC6A1	43	32
COCCN(CCF)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109842	EE	On-Demand	Anodyne	DRD3	15	53
COCCN(CCF)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109842	EE	On-Demand	Anodyne	LTA4H	19	43
COCCN(CCF)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109842	EE	On-Demand	Anodyne	SIGMAR1	33	53
COCCN(CCF)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109842	EE	On-Demand	Anodyne	PREP	44	35
COCCN(CCF)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109842	EE	On-Demand	Anodyne	MBTPS1	32	40
COCCN(CCF)C(=O)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852109842	EE	On-Demand	Anodyne	ACKR3	71	35
CCC1CCC(CNC(=O)N2CCC(NC(=O)OC)CC2)CC1	ZINC000852109852	EF	On-Demand	Anodyne	EPHX2	19	47
Fc1cccc(N2CCCN(Cc3cccnc3Cl)CC2)c1F	ZINC000852109854	EH	On-Demand	Anodyne	DRD2	18	46
Fc1cccc(N2CCCN(Cc3cccnc3Cl)CC2)c1F	ZINC000852109854	EH	On-Demand	Anodyne	DRD4	39	48
Fc1cccc(N2CCCN(Cc3cccnc3Cl)CC2)c1F	ZINC000852109854	EH	On-Demand	Anodyne	DRD3	18	46
CON(C)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109856	ED	On-Demand	Anodyne	HTR1A	90	41
CON(C)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109856	ED	On-Demand	Anodyne	DRD2	66	44
CON(C)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109856	ED	On-Demand	Anodyne	DRD4	48	41
CON(C)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109856	ED	On-Demand	Anodyne	ADRA1D	43	39
CON(C)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109856	ED	On-Demand	Anodyne	HTR2A	41	38
CON(C)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109856	ED	On-Demand	Anodyne	ADRA1A	40	37
CON(C)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109856	ED	On-Demand	Anodyne	DRD3	76	44
CON(C)C(=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109856	ED	On-Demand	Anodyne	HTR7	69	38
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)NCc1coc2ccccc12	ZINC000852109858	GE	On-Demand	Reactive	INHA	51	35
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(-c4ccccc4)no3)C2)cc1	ZINC000852109869	GG	On-Demand	Clean	P2RY12	70	35
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(-c4ccccc4)no3)C2)cc1	ZINC000852109869	GG	On-Demand	Clean	PDK1	41	37
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(-c4ccccc4)no3)C2)cc1	ZINC000852109869	GG	On-Demand	Clean	MCHR1	15	41
C#CCOc1ccccc1CNC(=O)N1CC[C@@H](C)O[C@@H](C)C1	ZINC000852109875	DE	On-Demand	Mild	EPHX2	16	46
O=C1OCCN1CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109887	ED	On-Demand	Anodyne	HTR1A	41	39
O=C1OCCN1CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109887	ED	On-Demand	Anodyne	ADRA1D	23	42
O=C1OCCN1CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109887	ED	On-Demand	Anodyne	ADRA1B	15	42
O=C1OCCN1CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109887	ED	On-Demand	Anodyne	DRD3	17	42
O[C@@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccccn1	ZINC000852109890	EF	On-Demand	Anodyne	DRD3	15	40
O[C@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccccn1	ZINC000852109891	EF	On-Demand	Anodyne	DRD3	15	40
Fc1cccc(N2CCCN(Cc3ccc(-n4ccnc4)nc3)CC2)c1F	ZINC000852109906	FG	On-Demand	Anodyne	DRD4	15	41
Fc1cccc(N2CCCN(CCCI)CC2)c1F	ZINC000852109908	GG	On-Demand	Reactive	HTR1A	76	40
Fc1cccc(N2CCCN(CCCI)CC2)c1F	ZINC000852109908	GG	On-Demand	Reactive	DRD2	61	46
Fc1cccc(N2CCCN(CCCI)CC2)c1F	ZINC000852109908	GG	On-Demand	Reactive	DRD1	21	46
Fc1cccc(N2CCCN(CCCI)CC2)c1F	ZINC000852109908	GG	On-Demand	Reactive	DRD4	29	46
Fc1cccc(N2CCCN(CCCI)CC2)c1F	ZINC000852109908	GG	On-Demand	Reactive	HTR2A	43	41
Fc1cccc(N2CCCN(CCCI)CC2)c1F	ZINC000852109908	GG	On-Demand	Reactive	ADRA1A	23	41
Fc1cccc(N2CCCN(CCCI)CC2)c1F	ZINC000852109908	GG	On-Demand	Reactive	DRD3	57	46
Fc1cccc(N2CCCN(CCCI)CC2)c1F	ZINC000852109908	GG	On-Demand	Reactive	HTR7	53	38
Fc1cccc(N2CCCN(Cc3cnc(Cl)s3)CC2)c1F	ZINC000852109922	EH	On-Demand	Anodyne	DRD4	22	44
O=S(=O)(CCN1CCCN(c2cccc(F)c2F)CC1)Cc1ccccc1	ZINC000852109925	GG	On-Demand	Anodyne	HTR1A	43	39
Fc1cccc(N2CCCN(Cc3cn(Cc4ccccc4)nn3)CC2)c1F	ZINC000852109927	GG	On-Demand	Anodyne	HTR1A	15	43
Fc1cccc(N2CCCN(Cc3cn(Cc4ccccc4)nn3)CC2)c1F	ZINC000852109927	GG	On-Demand	Anodyne	DRD2	24	46
Fc1cccc(N2CCCN(Cc3cn(Cc4ccccc4)nn3)CC2)c1F	ZINC000852109927	GG	On-Demand	Anodyne	DRD4	32	44
Fc1cccc(N2CCCN(Cc3cn(Cc4ccccc4)nn3)CC2)c1F	ZINC000852109927	GG	On-Demand	Anodyne	DRD3	20	45
COC(=O)/C(C)=C/CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109942	DF	On-Demand	Anodyne	HTR1A	47	40
COC(=O)/C(C)=C/CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109942	DF	On-Demand	Anodyne	DRD2	47	43
COC(=O)/C(C)=C/CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109942	DF	On-Demand	Anodyne	DRD4	43	34
COC(=O)/C(C)=C/CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109942	DF	On-Demand	Anodyne	DRD3	68	43
COC(=O)/C(C)=C/CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109942	DF	On-Demand	Anodyne	KCNQ2	55	35
COC(=O)/C(C)=C\CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109943	DF	On-Demand	Anodyne	HTR1A	47	40
COC(=O)/C(C)=C\CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109943	DF	On-Demand	Anodyne	DRD2	47	43
COC(=O)/C(C)=C\CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109943	DF	On-Demand	Anodyne	DRD4	43	34
COC(=O)/C(C)=C\CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109943	DF	On-Demand	Anodyne	DRD3	68	43
COC(=O)/C(C)=C\CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852109943	DF	On-Demand	Anodyne	KCNQ2	55	35
C[C@@H]1CCN(C(=O)NCc2coc3ccccc23)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852109947	GG	On-Demand	Anodyne	INHA	53	33
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852109987	FF	On-Demand	Reactive	GPR119	42	34
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852109988	FF	On-Demand	Reactive	GPR119	42	34
CCCOc1ncccc1CNC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852109990	GF	On-Demand	Anodyne	TRPV1	35	41
CCCOc1ncccc1CNC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852109991	GF	On-Demand	Anodyne	TRPV1	35	41
O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852109996	GE	On-Demand	Anodyne	DRD2	20	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3COC[C@@H]3C2)C1	ZINC000852110012	FE	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3COC[C@H]3C2)C1	ZINC000852110013	FE	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3COC[C@@H]3C2)C1	ZINC000852110014	FE	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3COC[C@H]3C2)C1	ZINC000852110015	FE	On-Demand	Anodyne	GPR119	28	42
O[C@@H](CN1CCCC1)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110020	ED	On-Demand	Anodyne	KCNQ2	47	36
O[C@@H](CN1CCCC1)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110020	ED	On-Demand	Anodyne	ABCB1	51	39
O[C@H](CN1CCCC1)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110021	ED	On-Demand	Anodyne	KCNQ2	47	36
O[C@H](CN1CCCC1)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110021	ED	On-Demand	Anodyne	ABCB1	51	39
COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)o1	ZINC000852110023	FE	On-Demand	Clean	MCHR1	16	46
COC(=O)c1ccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)o1	ZINC000852110024	FE	On-Demand	Clean	MCHR1	16	46
O=C(NCc1ccc(F)cc1Br)NCC1SCCS1	ZINC000852110029	FG	On-Demand	Anodyne	P2RX7	33	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(OC)ccc3OC)C2)cc1	ZINC000852110030	GF	On-Demand	Clean	NQO2	35	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(OC)ccc3OC)C2)cc1	ZINC000852110030	GF	On-Demand	Clean	MTNR1A	89	48
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(OC)ccc3OC)C2)cc1	ZINC000852110030	GF	On-Demand	Clean	MTNR1B	76	48
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(OC)ccc3OC)C2)cc1	ZINC000852110030	GF	On-Demand	Clean	MCHR1	18	46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852110046	ED	On-Demand	Anodyne	BIRC2	23	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852110046	ED	On-Demand	Anodyne	GPR119	42	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852110047	ED	On-Demand	Anodyne	BIRC2	23	40
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852110047	ED	On-Demand	Anodyne	GPR119	42	45
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110091	GF	On-Demand	Anodyne	HTR1A	23	44
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110091	GF	On-Demand	Anodyne	DRD2	33	46
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110091	GF	On-Demand	Anodyne	DRD4	41	33
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110091	GF	On-Demand	Anodyne	HTR2A	23	44
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110091	GF	On-Demand	Anodyne	HTR2C	22	42
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110091	GF	On-Demand	Anodyne	DRD3	60	47
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110091	GF	On-Demand	Anodyne	ABCB1	45	38
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110093	GF	On-Demand	Anodyne	HTR1A	23	44
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110093	GF	On-Demand	Anodyne	DRD2	33	46
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110093	GF	On-Demand	Anodyne	DRD4	41	33
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110093	GF	On-Demand	Anodyne	HTR2A	23	44
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110093	GF	On-Demand	Anodyne	HTR2C	22	42
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110093	GF	On-Demand	Anodyne	DRD3	60	47
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110093	GF	On-Demand	Anodyne	ABCB1	45	38
C#CCOc1ccccc1CNC(=O)N1CCC(c2ccco2)CC1	ZINC000852110096	EG	On-Demand	Mild	EPHX2	15	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852110104	GF	On-Demand	Anodyne	GPR119	35	45
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852110105	GF	On-Demand	Anodyne	GPR119	35	45
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852110106	GF	On-Demand	Anodyne	GPR119	35	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852110108	GF	On-Demand	Anodyne	GPR119	35	45
CON(C)C(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110115	DD	On-Demand	Anodyne	HTR1A	46	36
CON(C)C(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110115	DD	On-Demand	Anodyne	DRD2	39	41
CON(C)C(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110115	DD	On-Demand	Anodyne	DRD3	47	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCOc4ccc(F)cc43)C2)cc1	ZINC000852110120	GH	On-Demand	Clean	CCR3	21	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCOc4ccc(F)cc43)C2)cc1	ZINC000852110122	GH	On-Demand	Clean	CCR3	21	41
CCCOc1ncccc1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852110123	EF	On-Demand	Reactive	SCN10A	32	47
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(O)cc1	ZINC000852110124	FF	On-Demand	Anodyne	DRD2	17	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(O)cc1	ZINC000852110124	FF	On-Demand	Anodyne	DRD4	21	44
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(O)cc1	ZINC000852110124	FF	On-Demand	Anodyne	DRD3	29	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(O)cc1	ZINC000852110124	FF	On-Demand	Anodyne	KCNQ2	68	39
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1ccc(O)cc1	ZINC000852110124	FF	On-Demand	Anodyne	SLC27A1	43	34
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	HTR1A	91	42
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	DRD2	81	54
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	DRD1	17	47
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	DRD4	47	38
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	ADRA1D	45	37
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	HTR2A	54	40
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	HTR2C	35	40
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	SLC6A4	23	40
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	ADRA1A	48	39
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	DRD3	102	48
CC(C)(C)OC(=O)NCCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110142	GG	On-Demand	Anodyne	HTR7	62	39
O=C(NCCOc1cccnc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852110145	EE	On-Demand	Anodyne	HRH2	36	44
O=C(NCCOc1cccnc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852110145	EE	On-Demand	Anodyne	SIGMAR1	15	48
O=C(NCCOc1cccnc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852110145	EE	On-Demand	Anodyne	CHRNA7	52	42
O=C(NCCOc1cccnc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852110146	EE	On-Demand	Anodyne	HRH2	36	44
O=C(NCCOc1cccnc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852110146	EE	On-Demand	Anodyne	SIGMAR1	15	48
O=C(NCCOc1cccnc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852110146	EE	On-Demand	Anodyne	CHRNA7	52	42
NC(=O)c1ccccc1NC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110158	GE	On-Demand	Anodyne	HTR1A	16	45
NC(=O)c1ccccc1NC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110158	GE	On-Demand	Anodyne	DRD2	18	40
NC(=O)c1ccccc1NC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110158	GE	On-Demand	Anodyne	DRD4	22	40
NC(=O)c1ccccc1NC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110158	GE	On-Demand	Anodyne	DRD3	26	40
NC(=O)c1ccccc1NC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110158	GE	On-Demand	Anodyne	HTR7	15	45
NC(=O)c1ccccc1NC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110158	GE	On-Demand	Anodyne	KCNQ2	75	44
NC(=O)c1ccccc1NC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110158	GE	On-Demand	Anodyne	SLC27A1	41	36
Fc1cccc(N2CCCN(Cc3ccsc3)CC2)c1F	ZINC000852110170	DH	On-Demand	Anodyne	DRD4	15	44
COC(=O)C1=C(C)O[C@@H](CN2CCCN(c3cccc(F)c3F)CC2)C1	ZINC000852110184	FF	On-Demand	Anodyne	DRD2	29	41
COC(=O)C1=C(C)O[C@@H](CN2CCCN(c3cccc(F)c3F)CC2)C1	ZINC000852110184	FF	On-Demand	Anodyne	DRD4	44	35
COC(=O)C1=C(C)O[C@@H](CN2CCCN(c3cccc(F)c3F)CC2)C1	ZINC000852110184	FF	On-Demand	Anodyne	DRD3	42	41
CC(C)(C)C(=O)NNC(=O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110185	FD	On-Demand	Reactive	KCNQ2	43	34
Fc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)nc1	ZINC000852110191	DG	On-Demand	Anodyne	DRD2	16	42
Fc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)nc1	ZINC000852110191	DG	On-Demand	Anodyne	DRD4	30	42
Fc1ccc(CN2CCCN(c3cccc(F)c3F)CC2)nc1	ZINC000852110191	DG	On-Demand	Anodyne	DRD3	15	42
O=C(NC[C@H]1CCCN1Cc1ccccc1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852110197	GF	On-Demand	Anodyne	DRD2	22	43
O=C(NCc1coc2ccccc12)N[C@H]1COC2(CCC2)C1	ZINC000852110208	DF	On-Demand	Anodyne	INHA	56	32
O=C(NCc1coc2ccccc12)N[C@@H]1COC2(CCC2)C1	ZINC000852110210	DF	On-Demand	Anodyne	INHA	56	32
C#CCOc1ccccc1CNC(=O)NCC1(S(C)(=O)=O)CCCCC1	ZINC000852110233	GE	On-Demand	Mild	HCN1	51	32
C#CCOc1ccccc1CNC(=O)NCC1(S(C)(=O)=O)CCCCC1	ZINC000852110233	GE	On-Demand	Mild	HCN4	49	32
O[C@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccc(F)c(F)c1	ZINC000852110236	FG	On-Demand	Anodyne	KCNQ2	19	41
O[C@@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccc(F)c(F)c1	ZINC000852110238	FG	On-Demand	Anodyne	KCNQ2	19	41
C#CCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110242	CE	On-Demand	Mild	HTR1A	62	43
C#CCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110242	CE	On-Demand	Mild	DRD2	53	43
C#CCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110242	CE	On-Demand	Mild	DRD1	17	40
C#CCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110242	CE	On-Demand	Mild	DRD4	26	40
C#CCOCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110242	CE	On-Demand	Mild	DRD3	53	41
COC(=O)c1nc(CNC(=O)NCc2cc(C(C)C)no2)ccc1Cl	ZINC000852110244	FF	On-Demand	Anodyne	SLC5A7	23	40
O[C@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccc(F)cc1	ZINC000852110247	FG	On-Demand	Anodyne	SLC6A3	15	47
O[C@@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccc(F)cc1	ZINC000852110248	FG	On-Demand	Anodyne	SLC6A3	15	47
COC(=O)N(C)CCNC(=O)NCCc1cc(OC)ccc1OC	ZINC000852110272	ED	On-Demand	Anodyne	NQO2	39	44
COC(=O)N(C)CCNC(=O)NCCc1cc(OC)ccc1OC	ZINC000852110272	ED	On-Demand	Anodyne	MTNR1A	113	49
COC(=O)N(C)CCNC(=O)NCCc1cc(OC)ccc1OC	ZINC000852110272	ED	On-Demand	Anodyne	MTNR1B	86	54
Cc1ccncc1CCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852110276	FF	On-Demand	Anodyne	GPR119	40	45
Cc1ccncc1CCNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852110277	FF	On-Demand	Anodyne	GPR119	40	45
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	HTR1A	68	46
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	DRD2	56	46
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	DRD1	16	45
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	DRD4	33	45
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	ADRA1D	28	46
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	HTR2A	34	41
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	ADRA1A	22	46
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	ADRA1B	21	46
Fc1cccc(N2CCCN(CCN3CCCC3)CC2)c1F	ZINC000852110278	DF	On-Demand	Anodyne	DRD3	53	46
C#CCOc1ccccc1CNC(=O)NCC1(CC(=O)NC)CCCCC1	ZINC000852110287	FF	On-Demand	Mild	HCN1	50	31
C#CCOc1ccccc1CNC(=O)NCC1(CC(=O)NC)CCCCC1	ZINC000852110287	FF	On-Demand	Mild	HCN4	48	31
C#CCOc1ccccc1CNC(=O)NCC1(S(=O)(=O)CC)CC1	ZINC000852110296	FD	On-Demand	Mild	HCN1	43	31
C#CCOc1ccccc1CNC(=O)NCC1(C#N)CCCCC1	ZINC000852110300	EF	On-Demand	Mild	HCN1	50	31
C#CCOc1ccccc1CNC(=O)NCC1(C#N)CCCCC1	ZINC000852110300	EF	On-Demand	Mild	HCN4	48	31
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852110320	FF	On-Demand	Mild	GPBAR1	34	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852110320	FF	On-Demand	Mild	GPR119	35	50
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852110322	FF	On-Demand	Mild	GPBAR1	34	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852110322	FF	On-Demand	Mild	GPR119	35	50
NC(=O)[C@](O)(CN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110328	GD	On-Demand	Anodyne	KCNQ2	42	35
NC(=O)[C@@](O)(CN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110330	GD	On-Demand	Anodyne	KCNQ2	42	35
Fc1cccc(N2CCCN(CCC3OCCCO3)CC2)c1F	ZINC000852110332	EF	On-Demand	Anodyne	HTR1A	40	42
Fc1cccc(N2CCCN(CCC3OCCCO3)CC2)c1F	ZINC000852110332	EF	On-Demand	Anodyne	DRD2	35	41
Fc1cccc(N2CCCN(CCC3OCCCO3)CC2)c1F	ZINC000852110332	EF	On-Demand	Anodyne	DRD4	20	41
Fc1cccc(N2CCCN(CCC3OCCCO3)CC2)c1F	ZINC000852110332	EF	On-Demand	Anodyne	HTR1B	15	40
Fc1cccc(N2CCCN(CCC3OCCCO3)CC2)c1F	ZINC000852110332	EF	On-Demand	Anodyne	DRD3	36	41
O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1COC2(CCC2)C1	ZINC000852110335	GF	On-Demand	Anodyne	GRM5	16	40
O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N[C@H]1COC2(CCC2)C1	ZINC000852110337	GF	On-Demand	Anodyne	GRM5	16	40
C#C[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCOCC1	ZINC000852110340	FE	On-Demand	Mild	DRD2	17	43
C#C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CCOCC1	ZINC000852110342	FE	On-Demand	Mild	DRD2	17	43
C#C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCOCC1	ZINC000852110344	FE	On-Demand	Mild	DRD2	17	43
C#C[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CCOCC1	ZINC000852110346	FE	On-Demand	Mild	DRD2	17	43
C#CCOc1ccccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852110356	GF	On-Demand	Mild	DRD4	15	40
C#CCOc1ccccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852110356	GF	On-Demand	Mild	ACHE	31	44
C#CCOc1ccccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852110356	GF	On-Demand	Mild	SIGMAR1	30	42
C#CCOc1ccccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852110356	GF	On-Demand	Mild	CCR3	40	39
Fc1cccc(N2CCCN(Cc3ccc(Cl)nc3)CC2)c1F	ZINC000852110376	EH	On-Demand	Anodyne	DRD2	21	44
Fc1cccc(N2CCCN(Cc3ccc(Cl)nc3)CC2)c1F	ZINC000852110376	EH	On-Demand	Anodyne	DRD4	43	44
Fc1cccc(N2CCCN(Cc3ccc(Cl)nc3)CC2)c1F	ZINC000852110376	EH	On-Demand	Anodyne	DRD3	15	44
Fc1cccc(N2CCCN(Cc3ccc(Cl)nc3)CC2)c1F	ZINC000852110376	EH	On-Demand	Anodyne	NACHRBETA2	40	39
O=C(NC[C@H]1CCCN1Cc1ccccc1)NNc1ccc(Cl)cn1	ZINC000852110377	FG	On-Demand	Reactive	DRD2	40	49
O=C(NC[C@H]1CCCN1Cc1ccccc1)NNc1ccc(Cl)cn1	ZINC000852110377	FG	On-Demand	Reactive	SIGMAR1	19	47
O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1C=CCC1	ZINC000852110381	CF	On-Demand	Anodyne	DRD2	36	49
O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1C=CCC1	ZINC000852110381	CF	On-Demand	Anodyne	SIGMAR1	27	48
O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1C=CCC1	ZINC000852110384	CF	On-Demand	Anodyne	DRD2	36	49
O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1C=CCC1	ZINC000852110384	CF	On-Demand	Anodyne	SIGMAR1	27	48
O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852110393	FD	On-Demand	Anodyne	DRD2	20	43
CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110394	GF	On-Demand	Anodyne	DRD2	34	45
CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110394	GF	On-Demand	Anodyne	DRD4	42	34
CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110394	GF	On-Demand	Anodyne	DRD3	58	42
O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852110395	FD	On-Demand	Anodyne	DRD2	20	43
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110396	GF	On-Demand	Anodyne	DRD2	34	45
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110396	GF	On-Demand	Anodyne	DRD4	42	34
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110396	GF	On-Demand	Anodyne	DRD3	58	42
CN(C[C@H](O)CN1CCCN(c2cccc(F)c2F)CC1)C(=O)OC(C)(C)C	ZINC000852110409	GF	On-Demand	Anodyne	ABCB1	46	38
O=c1cc(CN2CCCN(c3cccc(F)c3F)CC2)c2ccc(O)cc2o1	ZINC000852110414	GG	On-Demand	Anodyne	HSD17B3	33	45
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NCc1ccccn1	ZINC000852110443	FE	On-Demand	Anodyne	HTR1A	48	47
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NCc1ccccn1	ZINC000852110443	FE	On-Demand	Anodyne	DRD2	43	41
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NCc1ccccn1	ZINC000852110443	FE	On-Demand	Anodyne	ADRA1A	18	41
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NCc1ccccn1	ZINC000852110443	FE	On-Demand	Anodyne	DRD3	43	39
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NCc1ccccn1	ZINC000852110443	FE	On-Demand	Anodyne	HTR7	36	48
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NCc1ccccn1	ZINC000852110443	FE	On-Demand	Anodyne	SLC27A1	53	39
Fc1cccc(N2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1F	ZINC000852110456	EH	On-Demand	Anodyne	DRD2	17	56
Fc1cccc(N2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1F	ZINC000852110456	EH	On-Demand	Anodyne	DRD4	30	77
Fc1cccc(N2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1F	ZINC000852110456	EH	On-Demand	Anodyne	DRD3	15	42
O=C(NCc1ccc(F)cc1Br)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852110461	GG	On-Demand	Anodyne	P2RX7	17	44
O=C(NCc1ccc(F)cc1Br)N[C@@H]1C=CCC1	ZINC000852110478	DG	On-Demand	Anodyne	P2RX7	46	49
O=C(NCc1ccc(F)cc1Br)N[C@H]1C=CCC1	ZINC000852110479	DG	On-Demand	Anodyne	P2RX7	46	49
O=C(NCc1ccc(F)cc1Br)N[C@H]1COC2(CCC2)C1	ZINC000852110482	FG	On-Demand	Anodyne	P2RX7	21	43
O=C(NCc1ccc(F)cc1Br)N[C@@H]1COC2(CCC2)C1	ZINC000852110483	FG	On-Demand	Anodyne	P2RX7	21	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3C[C@H]3C2)C1	ZINC000852110494	DE	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3C[C@@H]3C2)C1	ZINC000852110495	DE	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3C[C@@H]3C2)C1	ZINC000852110496	DE	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3C[C@H]3C2)C1	ZINC000852110497	DE	On-Demand	Anodyne	GPR119	29	44
O[C@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110507	EG	On-Demand	Anodyne	HTR1A	15	46
O[C@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110507	EG	On-Demand	Anodyne	KCNQ2	47	35
O[C@@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110508	EG	On-Demand	Anodyne	HTR1A	15	46
O[C@@H](CN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110508	EG	On-Demand	Anodyne	KCNQ2	47	35
O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852110516	EF	On-Demand	Anodyne	DRD2	29	44
O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852110516	EF	On-Demand	Anodyne	SIGMAR1	24	44
O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852110518	EF	On-Demand	Anodyne	DRD2	29	44
O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852110518	EF	On-Demand	Anodyne	SIGMAR1	24	44
C[C@@H]1CN(CCN2CC[C@@H](F)C2)C[C@@H](C)O1	ZINC000852110524	BD	On-Demand	Anodyne	ERG2	19	47
C[C@@H]1CN(CCN2CC[C@@H](F)C2)C[C@@H](C)O1	ZINC000852110524	BD	On-Demand	Anodyne	Q2TU57_MAIZE	20	47
C[C@@H]1CN(CCN2CC[C@H](F)C2)C[C@@H](C)O1	ZINC000852110526	BD	On-Demand	Anodyne	ERG2	19	47
C[C@@H]1CN(CCN2CC[C@H](F)C2)C[C@@H](C)O1	ZINC000852110526	BD	On-Demand	Anodyne	Q2TU57_MAIZE	20	47
Fc1cccc(N2CCCN(Cc3cnsn3)CC2)c1F	ZINC000852110541	DF	On-Demand	Anodyne	DRD4	18	41
C#CCNC(=O)[C@@H](C)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852110552	DD	On-Demand	Mild	KCNQ2	70	40
C#CCNC(=O)[C@@H](C)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852110552	DD	On-Demand	Mild	NPY2R	67	37
C#CCNC(=O)[C@H](C)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852110554	DD	On-Demand	Mild	KCNQ2	70	40
C#CCNC(=O)[C@H](C)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852110554	DD	On-Demand	Mild	NPY2R	67	37
O[C@@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110561	EH	On-Demand	Anodyne	HTR1A	39	63
O[C@@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110561	EH	On-Demand	Anodyne	DRD2	27	48
O[C@@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110561	EH	On-Demand	Anodyne	DRD4	20	40
O[C@@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110561	EH	On-Demand	Anodyne	HTR2A	20	57
O[C@@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110561	EH	On-Demand	Anodyne	SLC6A4	19	55
O[C@@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110561	EH	On-Demand	Anodyne	DRD3	29	42
O[C@@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110561	EH	On-Demand	Anodyne	SLC6A3	18	49
O[C@@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110561	EH	On-Demand	Anodyne	KCNQ2	45	34
O[C@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110563	EH	On-Demand	Anodyne	HTR1A	39	63
O[C@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110563	EH	On-Demand	Anodyne	DRD2	27	48
O[C@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110563	EH	On-Demand	Anodyne	DRD4	20	40
O[C@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110563	EH	On-Demand	Anodyne	HTR2A	20	57
O[C@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110563	EH	On-Demand	Anodyne	SLC6A4	19	55
O[C@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110563	EH	On-Demand	Anodyne	DRD3	29	42
O[C@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110563	EH	On-Demand	Anodyne	SLC6A3	18	49
O[C@H](CCN1CCCN(c2cccc(F)c2F)CC1)c1ccccc1	ZINC000852110563	EH	On-Demand	Anodyne	KCNQ2	45	34
C[S@@](=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110567	DD	On-Demand	Anodyne	HTR1A	56	40
C[S@@](=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110567	DD	On-Demand	Anodyne	DRD2	40	42
C[S@@](=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110567	DD	On-Demand	Anodyne	DRD4	24	42
C[S@@](=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110567	DD	On-Demand	Anodyne	ADRA1D	22	40
C[S@@](=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110567	DD	On-Demand	Anodyne	ADRA1A	17	40
C[S@@](=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110567	DD	On-Demand	Anodyne	ADRA1B	17	40
C[S@@](=O)CCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110567	DD	On-Demand	Anodyne	DRD3	38	42
COC(=O)Cn1cc(CN2CCCN(c3cccc(F)c3F)CC2)nn1	ZINC000852110568	FD	On-Demand	Anodyne	DRD2	34	47
COC(=O)Cn1cc(CN2CCCN(c3cccc(F)c3F)CC2)nn1	ZINC000852110568	FD	On-Demand	Anodyne	DRD4	43	34
COC(=O)Cn1cc(CN2CCCN(c3cccc(F)c3F)CC2)nn1	ZINC000852110568	FD	On-Demand	Anodyne	DRD3	40	47
O[C@H](CN1CCCN(c2cccc(F)c2F)CC1)c1cccc(F)c1	ZINC000852110572	FG	On-Demand	Anodyne	KCNQ2	27	41
O[C@@H](CN1CCCN(c2cccc(F)c2F)CC1)c1cccc(F)c1	ZINC000852110573	FG	On-Demand	Anodyne	KCNQ2	27	41
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	HTR1A	107	47
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	DRD2	93	55
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	DRD1	22	55
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	DRD4	44	36
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	ADRA1D	56	42
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	HTR2A	75	49
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	HTR2C	44	49
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	SLC6A4	26	49
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	ADRA1A	68	42
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	ADRA1B	45	42
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	DRD3	111	55
O=C(NCCCN1CCCN(c2cccc(F)c2F)CC1)C(F)(F)F	ZINC000852110582	FF	On-Demand	Anodyne	HTR7	92	42
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)NCc1coc2ccccc12	ZINC000852110586	GE	On-Demand	Reactive	INHA	48	35
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1cccnc1Cl	ZINC000852110599	GG	On-Demand	Anodyne	KCNQ2	67	41
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1cccnc1Cl	ZINC000852110599	GG	On-Demand	Anodyne	SLC27A1	50	38
O=C(CN1CCCN(c2cccc(F)c2F)CC1)Nc1cccnc1Cl	ZINC000852110599	GG	On-Demand	Anodyne	G2YM83_BOTF4	56	33
O=C(NCCOc1cccnc1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852110606	FG	On-Demand	Anodyne	SCD	47	42
O=C(NCCOc1cccnc1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852110606	FG	On-Demand	Anodyne	TRPM8	24	47
NS(=O)(=O)c1ccc(CCN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852110611	GE	On-Demand	Anodyne	CA2	28	40
NS(=O)(=O)c1ccc(CCN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852110611	GE	On-Demand	Anodyne	DRD2	21	41
NS(=O)(=O)c1ccc(CCN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852110611	GE	On-Demand	Anodyne	HTR2A	19	41
NS(=O)(=O)c1ccc(CCN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852110611	GE	On-Demand	Anodyne	CA1	27	40
NS(=O)(=O)c1ccc(CCN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852110611	GE	On-Demand	Anodyne	ABCC1	40	34
NS(=O)(=O)c1ccc(CCN2CCCN(c3cccc(F)c3F)CC2)cc1	ZINC000852110611	GE	On-Demand	Anodyne	CA4	17	40
COCCS(=O)(=O)CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110612	GD	On-Demand	Anodyne	HTR1A	94	41
COCCS(=O)(=O)CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110612	GD	On-Demand	Anodyne	DRD2	80	46
COCCS(=O)(=O)CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110612	GD	On-Demand	Anodyne	DRD1	22	43
COCCS(=O)(=O)CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110612	GD	On-Demand	Anodyne	DRD4	41	33
COCCS(=O)(=O)CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110612	GD	On-Demand	Anodyne	HTR2A	63	39
COCCS(=O)(=O)CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110612	GD	On-Demand	Anodyne	DRD3	81	46
COCCS(=O)(=O)CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852110612	GD	On-Demand	Anodyne	HTR7	71	44
O=C(NCCOCCF)NCCOc1cccnc1	ZINC000852110626	CC	On-Demand	Anodyne	HRH2	18	40
COc1ccc(N2CC[C@H](NC(=O)NCc3coc4ccccc34)C2)cc1	ZINC000852110630	FH	On-Demand	Clean	INHA	51	33
COc1ccc(N2CC[C@H](NC(=O)NCc3coc4ccccc34)C2)cc1	ZINC000852110630	FH	On-Demand	Clean	MTNR1A	29	46
COc1ccc(N2CC[C@H](NC(=O)NCc3coc4ccccc34)C2)cc1	ZINC000852110630	FH	On-Demand	Clean	MTNR1B	18	46
COc1ccc(N2CC[C@H](NC(=O)NCc3coc4ccccc34)C2)cc1	ZINC000852110630	FH	On-Demand	Clean	MCHR1	17	47
O=C(NCc1coc2ccccc12)NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000852110647	GD	On-Demand	Reactive	INHA	53	32
C#CCOc1ccccc1CNC(=O)N[C@@H](C(C)C)C1CC1	ZINC000852110662	DF	On-Demand	Mild	ANPEP	15	44
C#CCOc1ccccc1CNC(=O)N[C@H](C(C)C)C1CC1	ZINC000852110663	DF	On-Demand	Mild	ANPEP	15	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852110664	GD	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852110665	GD	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852110666	GD	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852110667	GD	On-Demand	Anodyne	GPR119	27	41
C#CCOc1ccccc1CNC(=O)N[C@H]1CCN(CCC)C1	ZINC000852110668	DD	On-Demand	Mild	HTR7	17	43
C#CCOc1ccccc1CNC(=O)N[C@H]1CCN(CCC)C1	ZINC000852110668	DD	On-Demand	Mild	BIRC2	41	39
C#CCOc1ccccc1CNC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852110669	DD	On-Demand	Mild	HTR7	17	43
C#CCOc1ccccc1CNC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852110669	DD	On-Demand	Mild	BIRC2	41	39
C#CCOc1ccccc1CNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852110681	CE	On-Demand	Mild	EPHX2	17	48
C#CCOc1ccccc1CNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852110681	CE	On-Demand	Mild	RBP4	44	31
C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852110682	CE	On-Demand	Mild	EPHX2	17	48
C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852110682	CE	On-Demand	Mild	RBP4	44	31
C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852110683	CE	On-Demand	Mild	EPHX2	17	48
C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852110683	CE	On-Demand	Mild	RBP4	44	31
C#CCOc1ccccc1CNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852110684	CE	On-Demand	Mild	EPHX2	17	48
C#CCOc1ccccc1CNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852110684	CE	On-Demand	Mild	RBP4	44	31
Fc1cccc(N2CCCN(Cc3cscn3)CC2)c1F	ZINC000852110689	DG	On-Demand	Anodyne	SCN5A	52	44
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852110703	EF	On-Demand	Anodyne	EPHX2	15	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852110704	EF	On-Demand	Anodyne	EPHX2	15	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852110705	EF	On-Demand	Anodyne	EPHX2	15	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852110706	EF	On-Demand	Anodyne	EPHX2	15	41
NC(=O)[C@](O)(CN1CC[C@H](F)C1)c1ccccc1	ZINC000852110707	CC	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@](O)(CN1CC[C@H](F)C1)c1ccccc1	ZINC000852110707	CC	On-Demand	Anodyne	CHRM1	26	40
NC(=O)[C@](O)(CN1CC[C@H](F)C1)c1ccccc1	ZINC000852110707	CC	On-Demand	Anodyne	CHRM3	52	43
NC(=O)[C@](O)(CN1CC[C@H](F)C1)c1ccccc1	ZINC000852110707	CC	On-Demand	Anodyne	CYP2J2	50	36
NC(=O)[C@@](O)(CN1CC[C@@H](F)C1)c1ccccc1	ZINC000852110708	CC	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@@](O)(CN1CC[C@@H](F)C1)c1ccccc1	ZINC000852110708	CC	On-Demand	Anodyne	CHRM1	26	40
NC(=O)[C@@](O)(CN1CC[C@@H](F)C1)c1ccccc1	ZINC000852110708	CC	On-Demand	Anodyne	CHRM3	52	43
NC(=O)[C@@](O)(CN1CC[C@@H](F)C1)c1ccccc1	ZINC000852110708	CC	On-Demand	Anodyne	CYP2J2	50	36
NC(=O)[C@@](O)(CN1CC[C@H](F)C1)c1ccccc1	ZINC000852110709	CC	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@@](O)(CN1CC[C@H](F)C1)c1ccccc1	ZINC000852110709	CC	On-Demand	Anodyne	CHRM1	26	40
NC(=O)[C@@](O)(CN1CC[C@H](F)C1)c1ccccc1	ZINC000852110709	CC	On-Demand	Anodyne	CHRM3	52	43
NC(=O)[C@@](O)(CN1CC[C@H](F)C1)c1ccccc1	ZINC000852110709	CC	On-Demand	Anodyne	CYP2J2	50	36
NC(=O)[C@](O)(CN1CC[C@@H](F)C1)c1ccccc1	ZINC000852110710	CC	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@](O)(CN1CC[C@@H](F)C1)c1ccccc1	ZINC000852110710	CC	On-Demand	Anodyne	CHRM1	26	40
NC(=O)[C@](O)(CN1CC[C@@H](F)C1)c1ccccc1	ZINC000852110710	CC	On-Demand	Anodyne	CHRM3	52	43
NC(=O)[C@](O)(CN1CC[C@@H](F)C1)c1ccccc1	ZINC000852110710	CC	On-Demand	Anodyne	CYP2J2	50	36
C#CCOc1ccccc1CNC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852110736	FE	On-Demand	Mild	HCN1	49	31
C#CCOc1ccccc1CNC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852110736	FE	On-Demand	Mild	HCN4	47	31
COCCN(CCF)C(=O)NCc1ccc(F)cc1Br	ZINC000852110801	FF	On-Demand	Anodyne	P2RX7	27	45
COc1cccc(OC)c1CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852110805	GF	On-Demand	Anodyne	GPR119	37	41
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852110806	GF	On-Demand	Anodyne	GPR119	37	41
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)N1	ZINC000852110815	FE	On-Demand	Anodyne	DRD2	19	44
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)N1	ZINC000852110816	FE	On-Demand	Anodyne	DRD2	19	44
C#CCOc1ccccc1CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852110829	FF	On-Demand	Mild	DRD4	40	32
C#CCOc1ccccc1CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852110829	FF	On-Demand	Mild	ABCB1	21	40
CCCOc1ncccc1CNC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852110837	GD	On-Demand	Anodyne	TRPV1	36	41
O=C(NCC1SCCS1)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852110840	FF	On-Demand	Anodyne	DRD2	38	50
O=C(NCC1SCCS1)NC[C@@H]1CCCN1Cc1ccccc1	ZINC000852110840	FF	On-Demand	Anodyne	SIGMAR1	32	51
O=C(NCC1SCCS1)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852110841	FF	On-Demand	Anodyne	DRD2	38	50
O=C(NCC1SCCS1)NC[C@H]1CCCN1Cc1ccccc1	ZINC000852110841	FF	On-Demand	Anodyne	SIGMAR1	32	51
C#CCOc1ccccc1CNC(=O)N1CCC(c2ccon2)CC1	ZINC000852110848	EF	On-Demand	Mild	EPHX2	17	47
COC(=O)N(C)CCNC(=O)NCc1ccc(F)cc1Br	ZINC000852110864	FE	On-Demand	Anodyne	P2RX7	30	43
C#C[C@H](NC(=O)NCc1ccc(F)cc1Br)C1CCOCC1	ZINC000852110880	FF	On-Demand	Mild	P2RX7	15	43
C#C[C@@H](NC(=O)NCc1ccc(F)cc1Br)C1CCOCC1	ZINC000852110881	FF	On-Demand	Mild	P2RX7	15	43
C#CCOc1ccccc1CNC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852110884	FD	On-Demand	Mild	EPHX2	15	44
C#CCOc1ccccc1CNC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852110885	FD	On-Demand	Mild	EPHX2	15	44
COCCN(CCF)C(=O)NCCc1cc(OC)ccc1OC	ZINC000852110889	ED	On-Demand	Anodyne	MTNR1A	79	43
COCCN(CCF)C(=O)NCCc1cc(OC)ccc1OC	ZINC000852110889	ED	On-Demand	Anodyne	MTNR1B	63	50
COCCN(CCF)C(=O)NCCc1cc(OC)ccc1OC	ZINC000852110889	ED	On-Demand	Anodyne	MT-ND1	17	43
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)O1	ZINC000852110894	GC	On-Demand	Reactive	DRD2	38	47
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)O1	ZINC000852110894	GC	On-Demand	Reactive	CTRA_BOVIN	41	31
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)O1	ZINC000852110894	GC	On-Demand	Reactive	SIGMAR1	24	46
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCCN2Cc2ccccc2)O1	ZINC000852110895	GC	On-Demand	Reactive	DRD2	38	47
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCCN2Cc2ccccc2)O1	ZINC000852110895	GC	On-Demand	Reactive	CTRA_BOVIN	41	31
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCCN2Cc2ccccc2)O1	ZINC000852110895	GC	On-Demand	Reactive	SIGMAR1	24	46
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)O1	ZINC000852110896	GC	On-Demand	Reactive	DRD2	38	47
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)O1	ZINC000852110896	GC	On-Demand	Reactive	CTRA_BOVIN	41	31
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)O1	ZINC000852110896	GC	On-Demand	Reactive	SIGMAR1	24	46
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCCN2Cc2ccccc2)O1	ZINC000852110897	GC	On-Demand	Reactive	DRD2	38	47
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCCN2Cc2ccccc2)O1	ZINC000852110897	GC	On-Demand	Reactive	CTRA_BOVIN	41	31
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCCN2Cc2ccccc2)O1	ZINC000852110897	GC	On-Demand	Reactive	SIGMAR1	24	46
O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1C=CCC1	ZINC000852110899	EF	On-Demand	Anodyne	GRM5	19	44
O=C(NCCc1nc(-c2cccc(Cl)c2)no1)N[C@H]1C=CCC1	ZINC000852110900	EF	On-Demand	Anodyne	GRM5	19	44
Fc1cccc(N2CCCN(CCC3OCCO3)CC2)c1F	ZINC000852110920	DE	On-Demand	Anodyne	HTR1A	34	42
Fc1cccc(N2CCCN(CCC3OCCO3)CC2)c1F	ZINC000852110920	DE	On-Demand	Anodyne	DRD2	27	41
Fc1cccc(N2CCCN(CCC3OCCO3)CC2)c1F	ZINC000852110920	DE	On-Demand	Anodyne	DRD3	24	41
O=C(NCCOc1cccnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852110922	GF	On-Demand	Anodyne	CHRNA7	28	40
O=C(NCCOc1cccnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852110922	GF	On-Demand	Anodyne	SSTR3	30	44
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1ccccc1	ZINC000852110938	GD	On-Demand	Reactive	HTR1A	37	44
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1ccccc1	ZINC000852110938	GD	On-Demand	Reactive	DRD2	42	46
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1ccccc1	ZINC000852110938	GD	On-Demand	Reactive	DRD4	43	36
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1ccccc1	ZINC000852110938	GD	On-Demand	Reactive	HTR2A	26	44
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1ccccc1	ZINC000852110938	GD	On-Demand	Reactive	HTR2C	25	44
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1ccccc1	ZINC000852110938	GD	On-Demand	Reactive	DRD3	62	44
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1ccccc1	ZINC000852110938	GD	On-Demand	Reactive	KCNQ2	47	36
Fc1cccc(N2CCCN(C/C=C\Cl)CC2)c1F	ZINC000852110945	CG	On-Demand	Anodyne	DRD3	19	42
Fc1cccc(N2CCCN(C/C=C/Cl)CC2)c1F	ZINC000852110946	CG	On-Demand	Anodyne	DRD3	19	42
Fc1cccc(N2CCCN(Cc3ccc4c(c3)COC4)CC2)c1F	ZINC000852110947	EH	On-Demand	Anodyne	HTR1A	15	43
O=C(NCCOc1cccnc1)NC[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852110982	GG	On-Demand	Anodyne	HRH2	32	44
O=C(NCCOc1cccnc1)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852110985	GG	On-Demand	Anodyne	HRH2	32	44
COCCN(CCF)C(=O)NCc1cc(C(C)C)no1	ZINC000852110987	CD	On-Demand	Anodyne	SLC5A7	24	41
CCSC1(CNC(=O)N[C@H](C)c2nc3ccccc3s2)CC1	ZINC000852111040	EH	On-Demand	Anodyne	TMPRSS6	45	33
CCSC1(CNC(=O)N[C@@H](C)c2nc3ccccc3s2)CC1	ZINC000852111042	EH	On-Demand	Anodyne	TMPRSS6	45	33
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)C1CC1	ZINC000852111053	FD	On-Demand	Reactive	HTR1A	24	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)C1CC1	ZINC000852111053	FD	On-Demand	Reactive	DRD2	24	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)C1CC1	ZINC000852111053	FD	On-Demand	Reactive	DRD4	25	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)C1CC1	ZINC000852111053	FD	On-Demand	Reactive	DRD3	35	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)C1CC1	ZINC000852111053	FD	On-Demand	Reactive	KCNQ2	52	37
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)C1CC1	ZINC000852111053	FD	On-Demand	Reactive	SLC27A1	41	32
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1nc2ccccc2s1	ZINC000852111088	FF	On-Demand	Anodyne	LTA4H	16	46
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1nc2ccccc2s1	ZINC000852111091	FF	On-Demand	Anodyne	LTA4H	16	46
CC[C@@H](NC(=O)N[C@@H](C)c1nc2ccccc2s1)C1CC1	ZINC000852111096	DH	On-Demand	Anodyne	TACR3	47	33
CC[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2s1)C1CC1	ZINC000852111099	DH	On-Demand	Anodyne	TACR3	47	33
O=C(NCCOc1cccnc1)NCc1cccc(COC[C@@H]2CCCO2)c1	ZINC000852111103	GF	On-Demand	Anodyne	HRH2	23	40
O=C(NCCOc1cccnc1)NCc1cccc(COC[C@H]2CCCO2)c1	ZINC000852111104	GF	On-Demand	Anodyne	HRH2	23	40
O=C(NCCOc1cccnc1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852111123	FD	On-Demand	Anodyne	ADRB2	17	40
O=C(NCCOc1cccnc1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852111123	FD	On-Demand	Anodyne	ADRB1	26	42
O=C(NCCOc1cccnc1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852111123	FD	On-Demand	Anodyne	ADRB3	45	42
O=C(NCCOc1cccnc1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852111124	FD	On-Demand	Anodyne	ADRB2	17	40
O=C(NCCOc1cccnc1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852111124	FD	On-Demand	Anodyne	ADRB1	26	42
O=C(NCCOc1cccnc1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852111124	FD	On-Demand	Anodyne	ADRB3	45	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C(C)C)no3)C2)cc1	ZINC000852111125	FF	On-Demand	Clean	SLC5A7	30	49
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C(C)C)no3)C2)cc1	ZINC000852111125	FF	On-Demand	Clean	PDK1	40	35
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1cccs1	ZINC000852111127	GD	On-Demand	Reactive	DRD2	17	45
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NNC(=O)c1cccs1	ZINC000852111127	GD	On-Demand	Reactive	DRD3	31	41
Cc1nc(CN2CCCN(c3cccc(F)c3F)CC2)nc2ccccc12	ZINC000852111149	FH	On-Demand	Anodyne	DRD2	19	40
Cc1nc(CN2CCCN(c3cccc(F)c3F)CC2)nc2ccccc12	ZINC000852111149	FH	On-Demand	Anodyne	HTR1D	52	36
Cc1nc(CN2CCCN(c3cccc(F)c3F)CC2)nc2ccccc12	ZINC000852111149	FH	On-Demand	Anodyne	HTR1B	46	36
Cc1nc(CN2CCCN(c3cccc(F)c3F)CC2)nc2ccccc12	ZINC000852111149	FH	On-Demand	Anodyne	HTR2A	15	40
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1nc2ccccc2s1	ZINC000852111175	GF	On-Demand	Anodyne	ST14	41	36
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1nc2ccccc2s1	ZINC000852111175	GF	On-Demand	Anodyne	TMPRSS6	58	36
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1nc2ccccc2s1	ZINC000852111176	GF	On-Demand	Anodyne	ST14	41	36
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1nc2ccccc2s1	ZINC000852111176	GF	On-Demand	Anodyne	TMPRSS6	58	36
O=C(Nc1ccccc1)c1ccc(CON=Cc2cccs2)cc1	ZINC000852111196	EJ	On-Demand	Mild	PRNP	42	37
O=C(Nc1ccccc1)c1ccc(CON=Cc2cccs2)cc1	ZINC000852111196	EJ	On-Demand	Mild	HDAC2	18	43
O=C(Nc1ccccc1)c1ccc(CON=Cc2cccs2)cc1	ZINC000852111196	EJ	On-Demand	Mild	NOD2	44	37
O=C(Nc1ccccc1)c1ccc(CON=Cc2cccs2)cc1	ZINC000852111196	EJ	On-Demand	Mild	KCNK3	53	43
O=C(Nc1ccccc1)c1ccc(CON=Cc2cccs2)cc1	ZINC000852111196	EJ	On-Demand	Mild	KCNK9	15	43
O=C(NCCOc1cccnc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852111198	ED	On-Demand	Anodyne	CHRM4	15	45
C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1nc2ccccc2s1	ZINC000852111199	FF	On-Demand	Anodyne	LTA4H	18	41
O=C(NCCOc1cccnc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852111200	ED	On-Demand	Anodyne	CHRM4	15	45
C[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1nc2ccccc2s1	ZINC000852111201	FF	On-Demand	Anodyne	LTA4H	18	41
Fc1cccc(N2CCCN(Cc3cnnn3-c3ccccc3)CC2)c1F	ZINC000852111204	FG	On-Demand	Anodyne	DRD4	25	45
C[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1nc2ccccc2s1	ZINC000852111205	FF	On-Demand	Anodyne	LTA4H	18	41
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)c1nc2ccccc2s1	ZINC000852111222	GF	On-Demand	Anodyne	TMPRSS6	51	34
C[C@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)c1nc2ccccc2s1	ZINC000852111224	GF	On-Demand	Anodyne	TMPRSS6	51	34
CCC(=O)NNC(=O)[C@@H](C)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852111232	FD	On-Demand	Reactive	KCNQ2	72	41
CCC(=O)NNC(=O)[C@@H](C)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852111232	FD	On-Demand	Reactive	NPY2R	62	36
CCC(=O)NNC(=O)[C@H](C)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852111234	FD	On-Demand	Reactive	KCNQ2	72	41
CCC(=O)NNC(=O)[C@H](C)N1CCCN(c2cccc(F)c2F)CC1	ZINC000852111234	FD	On-Demand	Reactive	NPY2R	62	36
C[C@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1nc2ccccc2s1	ZINC000852111264	EH	On-Demand	Anodyne	TMPRSS6	40	32
C[C@@H](NC(=O)NC[C@]1(C)CC1(F)F)c1nc2ccccc2s1	ZINC000852111266	EH	On-Demand	Anodyne	TMPRSS6	40	32
Fc1cccc(CN2CCCN(c3cccc(F)c3F)CC2)n1	ZINC000852111267	DG	On-Demand	Anodyne	DRD4	22	42
C[C@H](NC(=O)NC[C@]1(C)CC1(F)F)c1nc2ccccc2s1	ZINC000852111268	EH	On-Demand	Anodyne	TMPRSS6	40	32
C[C@@H](NC(=O)NC[C@@]1(C)CC1(F)F)c1nc2ccccc2s1	ZINC000852111270	EH	On-Demand	Anodyne	TMPRSS6	40	32
CNS(=O)(=O)c1ccc(CN2CC[C@@H](OC(=O)N(C)C)C2)cc1	ZINC000852111272	EC	On-Demand	Anodyne	MLNR	48	35
CNS(=O)(=O)c1ccc(CN2CC[C@H](OC(=O)N(C)C)C2)cc1	ZINC000852111273	EC	On-Demand	Anodyne	MLNR	48	35
C#CCOCCN1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000852111278	CD	On-Demand	Mild	SLC6A1	43	36
C#CCOCCN1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000852111279	CD	On-Demand	Mild	SLC6A1	43	36
C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1nc2ccccc2s1	ZINC000852111290	EH	On-Demand	Mild	F2	16	40
C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1nc2ccccc2s1	ZINC000852111290	EH	On-Demand	Mild	TRY1_BOVIN	45	40
C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1nc2ccccc2s1	ZINC000852111291	EH	On-Demand	Mild	F2	16	40
C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1nc2ccccc2s1	ZINC000852111291	EH	On-Demand	Mild	TRY1_BOVIN	45	40
CNS(=O)(=O)c1ccc(CN2CCC[C@H](OC(=O)N(C)C)C2)cc1	ZINC000852111298	FD	On-Demand	Anodyne	AVPR1B	41	34
CNS(=O)(=O)c1ccc(CN2CCC[C@@H](OC(=O)N(C)C)C2)cc1	ZINC000852111299	FD	On-Demand	Anodyne	AVPR1B	41	34
C#CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111306	CF	On-Demand	Mild	DRD2	31	41
C#CCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111306	CF	On-Demand	Mild	DRD3	31	41
Fc1cccc(N2CCCN(Cc3ccnc(Br)c3)CC2)c1F	ZINC000852111307	GH	On-Demand	Anodyne	HTR1A	15	43
Fc1cccc(N2CCCN(Cc3ccnc(Br)c3)CC2)c1F	ZINC000852111307	GH	On-Demand	Anodyne	DRD2	21	41
Fc1cccc(N2CCCN(Cc3ccnc(Br)c3)CC2)c1F	ZINC000852111307	GH	On-Demand	Anodyne	DRD4	20	43
C[C@@]1(C#N)CCN(C(=O)NCCOc2cccnc2)C1	ZINC000852111308	CD	On-Demand	Mild	PTAFR	19	41
COc1ccc(OC)c([C@H](O)CN2CCCN(c3cccc(F)c3F)CC2)c1	ZINC000852111315	GG	On-Demand	Anodyne	HTR1A	48	42
COc1ccc(OC)c([C@H](O)CN2CCCN(c3cccc(F)c3F)CC2)c1	ZINC000852111315	GG	On-Demand	Anodyne	DRD2	43	41
COc1ccc(OC)c([C@H](O)CN2CCCN(c3cccc(F)c3F)CC2)c1	ZINC000852111315	GG	On-Demand	Anodyne	DRD4	44	35
COc1ccc(OC)c([C@H](O)CN2CCCN(c3cccc(F)c3F)CC2)c1	ZINC000852111315	GG	On-Demand	Anodyne	DRD3	48	40
COc1ccc(OC)c([C@H](O)CN2CCCN(c3cccc(F)c3F)CC2)c1	ZINC000852111315	GG	On-Demand	Anodyne	ABCB1	40	42
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	HTR1A	104	42
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	DRD2	89	47
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	DRD1	24	47
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	DRD4	44	47
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	HTR2A	66	44
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	HTR2C	34	41
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	SLC6A4	21	42
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	ADRA1A	42	38
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	DRD3	90	47
NC(=O)NC(=O)OCCCN1CCCN(c2cccc(F)c2F)CC1	ZINC000852111333	FD	On-Demand	Anodyne	HTR7	85	40
Cn1ncc(CN2CCCN(c3cccc(F)c3F)CC2)n1	ZINC000852111337	DD	On-Demand	Anodyne	DRD2	16	40
Cn1ncc(CN2CCCN(c3cccc(F)c3F)CC2)n1	ZINC000852111337	DD	On-Demand	Anodyne	DRD4	25	40
Cn1ncc(CN2CCCN(c3cccc(F)c3F)CC2)n1	ZINC000852111337	DD	On-Demand	Anodyne	DRD3	15	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NOCc1ccccc1	ZINC000852111352	GF	On-Demand	Anodyne	HTR1A	35	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NOCc1ccccc1	ZINC000852111352	GF	On-Demand	Anodyne	DRD2	36	40
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NOCc1ccccc1	ZINC000852111352	GF	On-Demand	Anodyne	KCNQ2	45	39
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NOCc1ccccc1	ZINC000852111352	GF	On-Demand	Anodyne	SLC12A5	42	32
O=C(CN1CCCN(c2cccc(F)c2F)CC1)NOCc1ccccc1	ZINC000852111352	GF	On-Demand	Anodyne	SLC27A1	41	33
C[C@@H](NC(=O)NCC1SCCS1)c1nc2ccccc2s1	ZINC000852111355	EG	On-Demand	Anodyne	TMPRSS6	40	33
C[C@H](NC(=O)NCC1SCCS1)c1nc2ccccc2s1	ZINC000852111356	EG	On-Demand	Anodyne	TMPRSS6	40	33
CN(C)C(=O)O[C@@H]1CCCN(CCOC(F)F)C1	ZINC000852111397	CD	On-Demand	Anodyne	SLC6A1	64	35
COC[C@@H](CCNC(=O)N[C@@H](C)c1nc2ccccc2s1)OC	ZINC000852111402	EF	On-Demand	Anodyne	TMPRSS6	56	35
COC[C@@H](CCNC(=O)N[C@H](C)c1nc2ccccc2s1)OC	ZINC000852111404	EF	On-Demand	Anodyne	TMPRSS6	56	35
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nc2ccccc2s1	ZINC000852111419	FH	On-Demand	Anodyne	HTR4	40	40
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nc2ccccc2s1	ZINC000852111419	FH	On-Demand	Anodyne	LTA4H	31	41
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nc2ccccc2s1	ZINC000852111419	FH	On-Demand	Anodyne	CCR3	15	45
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nc2ccccc2s1	ZINC000852111419	FH	On-Demand	Anodyne	CACNA1I	53	33
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nc2ccccc2s1	ZINC000852111420	FH	On-Demand	Anodyne	HTR4	40	40
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nc2ccccc2s1	ZINC000852111420	FH	On-Demand	Anodyne	LTA4H	31	41
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nc2ccccc2s1	ZINC000852111420	FH	On-Demand	Anodyne	CCR3	15	45
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nc2ccccc2s1	ZINC000852111420	FH	On-Demand	Anodyne	CACNA1I	53	33
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1nc2ccccc2s1	ZINC000852111428	FH	On-Demand	Anodyne	TRY1_BOVIN	41	38
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1nc2ccccc2s1	ZINC000852111428	FH	On-Demand	Anodyne	CCR3	57	35
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1nc2ccccc2s1	ZINC000852111429	FH	On-Demand	Anodyne	TRY1_BOVIN	41	38
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1nc2ccccc2s1	ZINC000852111429	FH	On-Demand	Anodyne	CCR3	57	35
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1nc2ccccc2s1	ZINC000852111431	FH	On-Demand	Anodyne	TRY1_BOVIN	41	38
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1nc2ccccc2s1	ZINC000852111431	FH	On-Demand	Anodyne	CCR3	57	35
C[C@H](NC(=O)NCC(F)(F)C(C)(C)C)c1nc2ccccc2s1	ZINC000852111442	EI	On-Demand	Anodyne	TMPRSS6	40	33
C[C@@H](NC(=O)NCC(F)(F)C(C)(C)C)c1nc2ccccc2s1	ZINC000852111443	EI	On-Demand	Anodyne	TMPRSS6	40	33
COC(=O)CCCOc1ccc(CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852111452	GF	On-Demand	Reactive	LTA4H	16	41
NC(=O)[C@@](O)(CN1CCOC[C@@H](O)C1)c1ccccc1	ZINC000852111463	CB	On-Demand	Anodyne	CYP2J2	43	31
NC(=O)[C@](O)(CN1CCOC[C@@H](O)C1)c1ccccc1	ZINC000852111464	CB	On-Demand	Anodyne	CYP2J2	43	31
NC(=O)[C@](O)(CN1CCOC[C@H](O)C1)c1ccccc1	ZINC000852111465	CB	On-Demand	Anodyne	CYP2J2	43	31
NC(=O)[C@@](O)(CN1CCOC[C@H](O)C1)c1ccccc1	ZINC000852111466	CB	On-Demand	Anodyne	CYP2J2	43	31
COC(=O)[C@@H](CC(C)C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852111477	DC	On-Demand	Anodyne	NPR	62	34
COC(=O)[C@@H](CC(C)C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852111478	DC	On-Demand	Anodyne	NPR	62	34
COC(=O)[C@@H]1CCCCC[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852111485	ED	On-Demand	Anodyne	AMY2	53	36
COC(=O)[C@@H]1CCCCC[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852111486	ED	On-Demand	Anodyne	AMY2	53	36
CN(C)C(=O)O[C@@H]1CCCN(CCc2cnn[nH]2)C1	ZINC000852111510	CC	On-Demand	Anodyne	SLC6A1	44	33
O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)c2ccccn2)C1	ZINC000852111525	DD	On-Demand	Anodyne	CHRNA4	32	63
O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)c2ccccn2)C1	ZINC000852111526	DD	On-Demand	Anodyne	CHRNA4	32	63
CN(C)C(=O)O[C@@H]1CCCN(CC[C@@H]2Sc3ccccc3NC2=O)C1	ZINC000852111536	FF	On-Demand	Anodyne	SLC6A1	92	35
CN(C)C(=O)O[C@@H]1CCCN(CC[C@H]2Sc3ccccc3NC2=O)C1	ZINC000852111537	FF	On-Demand	Anodyne	SLC6A1	92	35
C[C@@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1nc2ccccc2s1	ZINC000852111556	GG	On-Demand	Anodyne	TMPRSS6	40	33
C[C@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1nc2ccccc2s1	ZINC000852111557	GG	On-Demand	Anodyne	TMPRSS6	40	33
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3nc4ccccc4s3)C2)cc1	ZINC000852111564	GH	On-Demand	Clean	LTA4H	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3nc4ccccc4s3)C2)cc1	ZINC000852111564	GH	On-Demand	Clean	NPBWR1	39	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3nc4ccccc4s3)C2)cc1	ZINC000852111565	GH	On-Demand	Clean	LTA4H	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3nc4ccccc4s3)C2)cc1	ZINC000852111565	GH	On-Demand	Clean	NPBWR1	39	40
C[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1nc2ccccc2s1	ZINC000852111586	GF	On-Demand	Anodyne	ST14	40	35
C[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1nc2ccccc2s1	ZINC000852111586	GF	On-Demand	Anodyne	TMPRSS6	56	35
C[C@@H](NC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1nc2ccccc2s1	ZINC000852111598	FI	On-Demand	Anodyne	SMO	40	38
C[C@@H](NC(=O)N1CCC([C@H]2CCCCO2)CC1)c1nc2ccccc2s1	ZINC000852111599	FI	On-Demand	Anodyne	SMO	40	38
CN(C)C(=O)O[C@@H]1CCCN(Cc2cccc(F)c2OC(F)F)C1	ZINC000852111606	EG	On-Demand	Anodyne	SLC6A1	64	36
C[C@@H](NC(=O)NCCOCCF)c1nc2ccccc2s1	ZINC000852111609	DF	On-Demand	Anodyne	TMPRSS6	46	34
CN(C)C(=O)O[C@@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1	ZINC000852111610	EG	On-Demand	Anodyne	SLC6A1	45	36
CC[C@@H](C)CCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852111625	DI	On-Demand	Anodyne	ST14	44	39
CC[C@@H](C)CCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852111625	DI	On-Demand	Anodyne	TMPRSS6	61	39
CC[C@@H](C)CCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852111628	DI	On-Demand	Anodyne	ST14	44	39
CC[C@@H](C)CCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852111628	DI	On-Demand	Anodyne	TMPRSS6	61	39
COC(=O)CCCOc1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852111647	FD	On-Demand	Anodyne	LTA4H	22	46
O=C(CN1CCOC[C@@H](O)C1)Nc1ccc(Cl)nc1	ZINC000852111662	CC	On-Demand	Anodyne	MTOR	41	36
O=C(CN1CCOC[C@H](O)C1)Nc1ccc(Cl)nc1	ZINC000852111663	CC	On-Demand	Anodyne	MTOR	41	36
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2cccc(F)n2)C1	ZINC000852111687	CE	On-Demand	Anodyne	CHRNA4	35	67
CN(C)C(=O)O[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852111710	CD	On-Demand	Anodyne	DRD4	23	42
CN(C)C(=O)O[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852111710	CD	On-Demand	Anodyne	ACHE	19	44
CN(C)C(=O)O[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852111710	CD	On-Demand	Anodyne	HRH2	22	40
CN(C)C(=O)O[C@@H]1CCCN(Cc2cccc(N)c2)C1	ZINC000852111710	CD	On-Demand	Anodyne	SLC6A1	69	32
C[C@@H](CNC(=O)N(C)Cc1cnc[nH]1)C(C)(C)C	ZINC000852111721	CE	On-Demand	Anodyne	TAAR1	27	44
C[C@H](CNC(=O)N(C)Cc1cnc[nH]1)C(C)(C)C	ZINC000852111722	CE	On-Demand	Anodyne	TAAR1	27	44
CN(CC=C(Cl)Cl)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852111729	FE	On-Demand	Anodyne	CA2	32	48
CN(CC=C(Cl)Cl)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852111729	FE	On-Demand	Anodyne	CA12	20	48
CN(C)C(=O)O[C@@H]1CCCN(CC2=NS(=O)(=O)c3ccccc32)C1	ZINC000852111747	FD	On-Demand	Anodyne	SLC6A1	54	32
C#CCOCCN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852111750	EC	On-Demand	Mild	CA2	17	47
C#CCOCCN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852111750	EC	On-Demand	Mild	CA7	19	47
C[C@@H](NC(=O)NCC[C@@]1(C)CC1(F)F)c1nc2ccccc2s1	ZINC000852111772	EI	On-Demand	Anodyne	TMPRSS6	54	33
C[C@@H](NC(=O)NCC[C@]1(C)CC1(F)F)c1nc2ccccc2s1	ZINC000852111774	EI	On-Demand	Anodyne	TMPRSS6	54	33
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1nc2ccccc2s1	ZINC000852111778	EI	On-Demand	Anodyne	F2	20	40
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1nc2ccccc2s1	ZINC000852111778	EI	On-Demand	Anodyne	TRY1_BOVIN	48	40
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1nc2ccccc2s1	ZINC000852111778	EI	On-Demand	Anodyne	TPSAB1	16	40
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1nc2ccccc2s1	ZINC000852111778	EI	On-Demand	Anodyne	TMPRSS6	46	33
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1nc2ccccc2s1	ZINC000852111779	EI	On-Demand	Anodyne	F2	20	40
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1nc2ccccc2s1	ZINC000852111779	EI	On-Demand	Anodyne	TRY1_BOVIN	48	40
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1nc2ccccc2s1	ZINC000852111779	EI	On-Demand	Anodyne	TPSAB1	16	40
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1nc2ccccc2s1	ZINC000852111779	EI	On-Demand	Anodyne	TMPRSS6	46	33
C=CCCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852111796	CG	On-Demand	Mild	ST14	40	35
C=CCCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852111796	CG	On-Demand	Mild	TMPRSS6	56	35
C=CCCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852111797	CG	On-Demand	Mild	ST14	40	35
C=CCCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852111797	CG	On-Demand	Mild	TMPRSS6	56	35
CN(C)C(=O)O[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852111813	DE	On-Demand	Anodyne	SLC6A1	160	47
CN(C)C(=O)O[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852111813	DE	On-Demand	Anodyne	LTA4H	34	41
CN(C)C(=O)O[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852111813	DE	On-Demand	Anodyne	UGCG	45	42
CN(C)C(=O)O[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852111813	DE	On-Demand	Anodyne	HRH3	23	42
CN(C)C(=O)O[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852111813	DE	On-Demand	Anodyne	SIGMAR1	30	42
CN(C)C(=O)O[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852111813	DE	On-Demand	Anodyne	GBA	25	42
CN(C)C(=O)O[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852111813	DE	On-Demand	Anodyne	PREP	40	36
CN(C)C(=O)O[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852111813	DE	On-Demand	Anodyne	GBA2	63	42
CCOC(=O)c1cnn(C2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)c1	ZINC000852111828	GE	On-Demand	Anodyne	MTOR	45	36
CN(C)C(=O)O[C@@H]1CCCN(Cc2nsc3ccccc23)C1	ZINC000852111831	DF	On-Demand	Anodyne	SLC6A1	69	33
CC(C)(C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111852	EC	On-Demand	Anodyne	CHRM2	28	42
CC(C)(C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111852	EC	On-Demand	Anodyne	CHRM1	24	42
CC(C)(C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111852	EC	On-Demand	Anodyne	SLC6A1	58	32
CC(C)(C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111852	EC	On-Demand	Anodyne	CHRM4	28	42
CC(C)(C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111852	EC	On-Demand	Anodyne	CHRM5	20	42
CC(C)(C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111852	EC	On-Demand	Anodyne	CHRM3	48	42
CC(C)(C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111852	EC	On-Demand	Anodyne	AMY2	44	30
CN(C)C(=O)O[C@@H]1CCCN(CCc2nsc3ccccc23)C1	ZINC000852111853	EG	On-Demand	Anodyne	SLC6A1	99	36
CC(C)(C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111954	EC	On-Demand	Anodyne	CHRM2	28	42
CC(C)(C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111954	EC	On-Demand	Anodyne	CHRM1	24	42
CC(C)(C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111954	EC	On-Demand	Anodyne	SLC6A1	58	32
CC(C)(C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111954	EC	On-Demand	Anodyne	CHRM4	28	42
CC(C)(C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111954	EC	On-Demand	Anodyne	CHRM5	20	42
CC(C)(C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111954	EC	On-Demand	Anodyne	CHRM3	48	42
CC(C)(C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1)C(N)=O	ZINC000852111954	EC	On-Demand	Anodyne	AMY2	44	30
C[C@H](NC(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1)c1nc2ccccc2s1	ZINC000852111957	GI	On-Demand	Anodyne	TMPRSS6	40	32
C[C@@H]1CN(C(=O)N[C@H](C)c2nc3ccccc3s2)C[C@@H](CC(F)(F)F)O1	ZINC000852111958	GI	On-Demand	Anodyne	TMPRSS6	40	32
C[C@@H]1CN(C(=O)N[C@H](C)c2nc3ccccc3s2)C[C@H](CC(F)(F)F)O1	ZINC000852111959	GI	On-Demand	Anodyne	TMPRSS6	40	32
C[C@H](NC(=O)N1C[C@H](CC(F)(F)F)O[C@H](C)C1)c1nc2ccccc2s1	ZINC000852111960	GI	On-Demand	Anodyne	TMPRSS6	40	32
C=CCCSCCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852111971	EH	On-Demand	Mild	TMPRSS6	55	34
C=CCCSCCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852111972	EH	On-Demand	Mild	TMPRSS6	55	34
COC(=O)CCCOc1ccc(CNC(=O)N[C@H]2C=CCC2)cc1	ZINC000852111976	EF	On-Demand	Anodyne	LTA4H	17	40
COC(=O)CCCOc1ccc(CNC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852111977	EF	On-Demand	Anodyne	LTA4H	17	40
COc1cccc(OC)c1CNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852111995	FH	On-Demand	Anodyne	TMPRSS6	46	34
COc1cccc(OC)c1CNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852111996	FH	On-Demand	Anodyne	TMPRSS6	46	34
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1nc2ccccc2s1	ZINC000852112003	GH	On-Demand	Anodyne	TRY1_BOVIN	40	34
C[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1nc2ccccc2s1	ZINC000852112004	GH	On-Demand	Anodyne	TRY1_BOVIN	40	34
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1nc2ccccc2s1	ZINC000852112005	GH	On-Demand	Anodyne	TRY1_BOVIN	40	34
C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1nc2ccccc2s1	ZINC000852112006	GH	On-Demand	Anodyne	TRY1_BOVIN	40	34
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852112011	EE	On-Demand	Anodyne	TMPRSS6	46	33
COC(=O)N(C)CCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852112012	EE	On-Demand	Anodyne	TMPRSS6	46	33
C[C@@H](NC(=O)NCC1=CCCC1)c1nc2ccccc2s1	ZINC000852112033	DH	On-Demand	Anodyne	TMPRSS6	44	32
C[C@H](NC(=O)NCC1=CCCC1)c1nc2ccccc2s1	ZINC000852112034	DH	On-Demand	Anodyne	TMPRSS6	44	32
COc1cccc(SCCN2CC[C@H](OC(=O)N(C)C)C2)c1	ZINC000852112047	DF	On-Demand	Anodyne	DRD4	41	31
COc1cccc(SCCN2CC[C@H](OC(=O)N(C)C)C2)c1	ZINC000852112047	DF	On-Demand	Anodyne	CCR3	19	43
COc1cccc(SCCN2CC[C@H](OC(=O)N(C)C)C2)c1	ZINC000852112047	DF	On-Demand	Anodyne	CCR5	28	46
COc1cccc(SCCN2CC[C@@H](OC(=O)N(C)C)C2)c1	ZINC000852112048	DF	On-Demand	Anodyne	DRD4	41	31
COc1cccc(SCCN2CC[C@@H](OC(=O)N(C)C)C2)c1	ZINC000852112048	DF	On-Demand	Anodyne	CCR3	19	43
COc1cccc(SCCN2CC[C@@H](OC(=O)N(C)C)C2)c1	ZINC000852112048	DF	On-Demand	Anodyne	CCR5	28	46
COC(=O)c1ccc2nc(CN3CC[C@@H](OC(=O)N(C)C)C3)[nH]c2c1	ZINC000852112051	ED	On-Demand	Anodyne	DRD4	17	40
COC(=O)c1ccc2nc(CN3CC[C@H](OC(=O)N(C)C)C3)[nH]c2c1	ZINC000852112052	ED	On-Demand	Anodyne	DRD4	17	40
O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc(Cl)nc1	ZINC000852112071	FD	On-Demand	Anodyne	CHRNA4	33	56
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](OC(=O)N(C)C)C1	ZINC000852112116	FF	On-Demand	Anodyne	SLC6A3	19	42
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](OC(=O)N(C)C)C1	ZINC000852112117	FF	On-Demand	Anodyne	SLC6A3	19	42
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2cnon2)C1	ZINC000852112147	CC	On-Demand	Anodyne	CHRNA4	33	62
C[C@H](NC(=O)NCCC1SCCS1)c1nc2ccccc2s1	ZINC000852112167	FH	On-Demand	Anodyne	TMPRSS6	46	34
C[C@@H](NC(=O)NCCC1SCCS1)c1nc2ccccc2s1	ZINC000852112168	FH	On-Demand	Anodyne	TMPRSS6	46	34
COC1CC(CCNC(=O)N[C@@H](C)c2nc3ccccc3s2)C1	ZINC000852112192	EG	On-Demand	Anodyne	TMPRSS6	45	33
COC1CC(CCNC(=O)N[C@H](C)c2nc3ccccc3s2)C1	ZINC000852112194	EG	On-Demand	Anodyne	TMPRSS6	45	33
N#Cc1ccc(CCN2C[C@H]3C[C@H]2C(=O)O3)cc1	ZINC000852112207	BD	On-Demand	Mild	KCNJ1	20	45
CN(C)C(=O)O[C@@H]1CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852112245	DE	On-Demand	Anodyne	SLC6A1	61	33
C=CCOCCCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852112274	DG	On-Demand	Mild	ST14	48	36
C=CCOCCCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852112274	DG	On-Demand	Mild	TMPRSS6	66	36
O=c1cccc2n1C[C@H]1C[C@@H]2CN(CC=C(Cl)Cl)C1	ZINC000852112275	CF	On-Demand	Anodyne	CHRNA4	37	67
C=CCOCCCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852112276	DG	On-Demand	Mild	ST14	48	36
C=CCOCCCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852112276	DG	On-Demand	Mild	TMPRSS6	66	36
COC(=O)c1ccc2nc(CN3CCC[C@@H](OC(=O)N(C)C)C3)[nH]c2c1	ZINC000852112277	FE	On-Demand	Anodyne	SLC6A1	54	33
COC(=O)c1ccc2nc(CN3CCC[C@@H](OC(=O)N(C)C)C3)[nH]c2c1	ZINC000852112277	FE	On-Demand	Anodyne	CHEK2	26	40
COC(=O)c1ccc2nc(CN3CCC[C@H](OC(=O)N(C)C)C3)[nH]c2c1	ZINC000852112279	FE	On-Demand	Anodyne	SLC6A1	54	33
COC(=O)c1ccc2nc(CN3CCC[C@H](OC(=O)N(C)C)C3)[nH]c2c1	ZINC000852112279	FE	On-Demand	Anodyne	CHEK2	26	40
CCOC(=O)c1cnn(C2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)c1	ZINC000852112282	GD	On-Demand	Anodyne	CYP2J2	48	36
CCOC(=O)c1cnn(C2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)c1	ZINC000852112284	GD	On-Demand	Anodyne	CYP2J2	48	36
CN(C)C(=O)O[C@@H]1CCCN([C@@H](C#N)c2ccccc2)C1	ZINC000852112299	CE	On-Demand	Mild	PTAFR	31	40
CN(C)C(=O)O[C@@H]1CCCN([C@@H](C#N)c2ccccc2)C1	ZINC000852112299	CE	On-Demand	Mild	CCR5	18	41
CN(C)C(=O)O[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1	ZINC000852112303	CE	On-Demand	Mild	PTAFR	31	40
CN(C)C(=O)O[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1	ZINC000852112303	CE	On-Demand	Mild	CCR5	18	41
C#CCOCCN1CCC(C(=O)OCC)(C(=O)c2ccccc2)CC1	ZINC000852112407	EE	On-Demand	Mild	SLC6A1	48	33
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[C@H](OC(=O)N(C)C)C1	ZINC000852112441	EE	On-Demand	Anodyne	SLC6A3	21	41
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](OC(=O)N(C)C)C1	ZINC000852112443	EE	On-Demand	Anodyne	SLC6A3	21	41
COC(=O)c1cccc(CN2CC[C@@H](F)C2)c1CN1CC[C@H](F)C1	ZINC000852112490	EF	On-Demand	Anodyne	DRD4	19	40
COC(=O)c1cccc(CN2CC[C@@H](F)C2)c1CN1CC[C@H](F)C1	ZINC000852112490	EF	On-Demand	Anodyne	CCR3	28	47
COC(=O)c1cccc(CN2CC[C@H](F)C2)c1CN1CC[C@H](F)C1	ZINC000852112491	EF	On-Demand	Anodyne	DRD4	19	40
COC(=O)c1cccc(CN2CC[C@H](F)C2)c1CN1CC[C@H](F)C1	ZINC000852112491	EF	On-Demand	Anodyne	CCR3	28	47
COC(=O)c1cccc(CN2CC[C@@H](F)C2)c1CN1CC[C@@H](F)C1	ZINC000852112492	EF	On-Demand	Anodyne	DRD4	19	40
COC(=O)c1cccc(CN2CC[C@@H](F)C2)c1CN1CC[C@@H](F)C1	ZINC000852112492	EF	On-Demand	Anodyne	CCR3	28	47
COC(=O)c1cccc(CN2CC[C@H](F)C2)c1CN1CC[C@@H](F)C1	ZINC000852112493	EF	On-Demand	Anodyne	DRD4	19	40
COC(=O)c1cccc(CN2CC[C@H](F)C2)c1CN1CC[C@@H](F)C1	ZINC000852112493	EF	On-Demand	Anodyne	CCR3	28	47
C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1nc2ccccc2s1	ZINC000852112519	FH	On-Demand	Anodyne	SMO	43	41
C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1nc2ccccc2s1	ZINC000852112540	FF	On-Demand	Anodyne	TRY1_BOVIN	55	41
C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1nc2ccccc2s1	ZINC000852112540	FF	On-Demand	Anodyne	PREP	17	41
C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1nc2ccccc2s1	ZINC000852112540	FF	On-Demand	Anodyne	TPSAB1	16	41
C#CCOCCN1CCC[C@@H](OC(=O)N(C)C)C1	ZINC000852112547	CC	On-Demand	Mild	SLC6A1	81	42
C#CCOCCN1CCC[C@H](OC(=O)N(C)C)C1	ZINC000852112548	CC	On-Demand	Mild	SLC6A1	81	42
O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCn2cnc(Br)n2)C1	ZINC000852112557	FD	On-Demand	Anodyne	CHRNA4	35	64
COC(=O)[C@@H](CC(C)C)N(C)C[C@H](O)c1ccccn1	ZINC000852112589	CD	On-Demand	Anodyne	PLM1_PLAFA	42	32
COC(=O)[C@@H](CC(C)C)N(C)C[C@@H](O)c1ccccn1	ZINC000852112590	CD	On-Demand	Anodyne	PLM1_PLAFA	42	32
Cn1ncc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n1	ZINC000852112608	CC	On-Demand	Anodyne	CHRNA4	34	63
CCCCCC[C@](O)(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)OC	ZINC000852112610	GE	On-Demand	Anodyne	CHRNA4	29	63
CN(C)C(=O)O[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852112618	EC	On-Demand	Anodyne	CHRM2	32	41
CN(C)C(=O)O[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852112618	EC	On-Demand	Anodyne	SLC6A1	64	34
CN(C)C(=O)O[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852112618	EC	On-Demand	Anodyne	CHRM3	53	41
CN(C)C(=O)O[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852112618	EC	On-Demand	Anodyne	AMY2	47	33
CN(C)C(=O)O[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852112619	EC	On-Demand	Anodyne	CHRM2	32	41
CN(C)C(=O)O[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852112619	EC	On-Demand	Anodyne	SLC6A1	64	34
CN(C)C(=O)O[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852112619	EC	On-Demand	Anodyne	CHRM3	53	41
CN(C)C(=O)O[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852112619	EC	On-Demand	Anodyne	AMY2	47	33
C[C@@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1nc2ccccc2s1	ZINC000852112667	FG	On-Demand	Anodyne	ST14	48	35
C[C@@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1nc2ccccc2s1	ZINC000852112667	FG	On-Demand	Anodyne	TMPRSS6	65	34
C[C@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1nc2ccccc2s1	ZINC000852112668	FG	On-Demand	Anodyne	ST14	48	35
C[C@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1nc2ccccc2s1	ZINC000852112668	FG	On-Demand	Anodyne	TMPRSS6	65	34
C[C@@H](NC(=O)NCCc1ccoc1)c1nc2ccccc2s1	ZINC000852112711	DG	On-Demand	Anodyne	TMPRSS6	55	33
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1nc2ccccc2s1	ZINC000852112727	EF	On-Demand	Anodyne	MAPK1	46	36
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1nc2ccccc2s1	ZINC000852112742	FF	On-Demand	Anodyne	LTA4H	17	49
C[C@H](NC(=O)NCCC(C)(C)F)c1nc2ccccc2s1	ZINC000852112748	DH	On-Demand	Anodyne	TMPRSS6	51	35
C[C@@H](NC(=O)NCCC(C)(C)F)c1nc2ccccc2s1	ZINC000852112749	DH	On-Demand	Anodyne	TMPRSS6	51	35
O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCOC(F)F)C1	ZINC000852112767	CD	On-Demand	Anodyne	CHRNA4	37	65
O=c1cccc2n1C[C@H]1C[C@@H]2CN(CC(F)(F)Br)C1	ZINC000852112836	EE	On-Demand	Anodyne	CHRNA4	36	63
C#CCOCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	ZINC000852112992	CC	On-Demand	Mild	CHRNA4	35	63
C[C@@H](CNC(=O)N1CCC(c2ccon2)CC1)C(C)(C)C	ZINC000852113012	CG	On-Demand	Anodyne	SMO	34	40
COc1cccc(SCCN2CCC[C@H](OC(=O)N(C)C)C2)c1	ZINC000852113080	EF	On-Demand	Anodyne	DRD4	40	30
COc1cccc(SCCN2CCC[C@H](OC(=O)N(C)C)C2)c1	ZINC000852113080	EF	On-Demand	Anodyne	SLC6A1	96	41
COc1cccc(SCCN2CCC[C@H](OC(=O)N(C)C)C2)c1	ZINC000852113080	EF	On-Demand	Anodyne	CCR5	15	43
COc1cccc(SCCN2CCC[C@@H](OC(=O)N(C)C)C2)c1	ZINC000852113081	EF	On-Demand	Anodyne	DRD4	40	30
COc1cccc(SCCN2CCC[C@@H](OC(=O)N(C)C)C2)c1	ZINC000852113081	EF	On-Demand	Anodyne	SLC6A1	96	41
COc1cccc(SCCN2CCC[C@@H](OC(=O)N(C)C)C2)c1	ZINC000852113081	EF	On-Demand	Anodyne	CCR5	15	43
CN(C)C(=O)O[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852113097	CD	On-Demand	Anodyne	SLC6A1	40	34
CN(C)C(=O)O[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852113098	CD	On-Demand	Anodyne	SLC6A1	40	34
C[C@@H](NC(=O)NCCCOC(C)(C)C)c1nc2ccccc2s1	ZINC000852113099	EH	On-Demand	Anodyne	ST14	43	39
C[C@@H](NC(=O)NCCCOC(C)(C)C)c1nc2ccccc2s1	ZINC000852113099	EH	On-Demand	Anodyne	TMPRSS6	61	39
C[C@H](NC(=O)NCCCOC(C)(C)C)c1nc2ccccc2s1	ZINC000852113100	EH	On-Demand	Anodyne	ST14	43	39
C[C@H](NC(=O)NCCCOC(C)(C)C)c1nc2ccccc2s1	ZINC000852113100	EH	On-Demand	Anodyne	TMPRSS6	61	39
CN(C)C(=O)O[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852113109	CD	On-Demand	Anodyne	SLC6A1	77	32
Cc1ccncc1CCNC(=O)N[C@H](C)c1nc2ccccc2s1	ZINC000852113132	EH	On-Demand	Anodyne	TMPRSS6	40	32
Cc1ccncc1CCNC(=O)N[C@@H](C)c1nc2ccccc2s1	ZINC000852113133	EH	On-Demand	Anodyne	TMPRSS6	40	32
CC(C)(C[C@@H]1CCCN(Cc2cccc(F)n2)C1)C(N)=O	ZINC000852113147	CE	On-Demand	Anodyne	CCR3	64	33
CN(C)C(=O)O[C@@H]1CCCN(CCO[C@@H]2CC2(F)F)C1	ZINC000852113148	CD	On-Demand	Anodyne	SLC6A1	49	32
CN(C)C(=O)O[C@@H]1CCCN(CCO[C@H]2CC2(F)F)C1	ZINC000852113149	CD	On-Demand	Anodyne	SLC6A1	49	32
CN(CCOC(F)F)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852113189	EC	On-Demand	Anodyne	CA2	29	44
CN(CCOC(F)F)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852113189	EC	On-Demand	Anodyne	CA1	23	40
CN(CCOC(F)F)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852113189	EC	On-Demand	Anodyne	CA7	33	40
CN(CCOC(F)F)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852113189	EC	On-Demand	Anodyne	CA12	19	44
CN(CCOC(F)F)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000852113189	EC	On-Demand	Anodyne	CA9	22	40
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852113206	DF	On-Demand	Anodyne	PYGL	35	48
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852113206	DF	On-Demand	Anodyne	PYGM	31	48
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852113206	DF	On-Demand	Anodyne	TPP2	45	32
COC(=O)CCCOc1ccc(CNC(=O)NCC2SCCS2)cc1	ZINC000852113260	GF	On-Demand	Anodyne	LTA4H	18	41
COC(=O)CCCOc1ccc(CNC(=O)NCC2SCCS2)cc1	ZINC000852113260	GF	On-Demand	Anodyne	EPHX2	18	40
C[C@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1nc2ccccc2s1	ZINC000852113261	GF	On-Demand	Anodyne	ST14	42	32
C[C@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1nc2ccccc2s1	ZINC000852113261	GF	On-Demand	Anodyne	TMPRSS6	59	32
C[C@@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1nc2ccccc2s1	ZINC000852113262	GF	On-Demand	Anodyne	ST14	42	32
C[C@@H](NC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1nc2ccccc2s1	ZINC000852113262	GF	On-Demand	Anodyne	TMPRSS6	59	32
C[C@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1nc2ccccc2s1	ZINC000852113263	GF	On-Demand	Anodyne	ST14	42	32
C[C@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1nc2ccccc2s1	ZINC000852113263	GF	On-Demand	Anodyne	TMPRSS6	59	32
C[C@@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1nc2ccccc2s1	ZINC000852113264	GF	On-Demand	Anodyne	ST14	42	32
C[C@@H](NC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1nc2ccccc2s1	ZINC000852113264	GF	On-Demand	Anodyne	TMPRSS6	59	32
CN(C)C(=O)O[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852113282	DE	On-Demand	Mild	SLC6A1	73	34
CN(C)C(=O)O[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852113282	DE	On-Demand	Mild	HRH3	28	46
CN(C)C(=O)O[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852113282	DE	On-Demand	Mild	KCNJ1	26	48
Cc1nc(CN2CC[C@@H](OC(=O)N(C)C)C2)c(C)o1	ZINC000852113283	CD	On-Demand	Anodyne	PDE8B	47	34
Cc1nc(CN2CC[C@H](OC(=O)N(C)C)C2)c(C)o1	ZINC000852113284	CD	On-Demand	Anodyne	PDE8B	47	34
C[C@@H](NC(=O)NCCCc1ccco1)c1nc2ccccc2s1	ZINC000852113285	EH	On-Demand	Anodyne	ST14	41	36
C[C@@H](NC(=O)NCCCc1ccco1)c1nc2ccccc2s1	ZINC000852113285	EH	On-Demand	Anodyne	TMPRSS6	58	36
C[C@H](NC(=O)NCCCc1ccco1)c1nc2ccccc2s1	ZINC000852113286	EH	On-Demand	Anodyne	ST14	41	36
C[C@H](NC(=O)NCCCc1ccco1)c1nc2ccccc2s1	ZINC000852113286	EH	On-Demand	Anodyne	TMPRSS6	58	36
Cc1cncc(CCNC(=O)N[C@H](C)c2nc3ccccc3s2)n1	ZINC000852113297	EF	On-Demand	Anodyne	TMPRSS6	44	33
Cc1cncc(CCNC(=O)N[C@@H](C)c2nc3ccccc3s2)n1	ZINC000852113298	EF	On-Demand	Anodyne	TMPRSS6	44	33
C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2nc3ccccc3s2)C1	ZINC000852113331	EI	On-Demand	Mild	F2	20	43
C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2nc3ccccc3s2)C1	ZINC000852113331	EI	On-Demand	Mild	TRY1_BOVIN	46	43
C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2nc3ccccc3s2)C1	ZINC000852113332	EI	On-Demand	Mild	F2	20	43
C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2nc3ccccc3s2)C1	ZINC000852113332	EI	On-Demand	Mild	TRY1_BOVIN	46	43
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2nc3ccccc3s2)C1	ZINC000852113333	EI	On-Demand	Mild	F2	20	43
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2nc3ccccc3s2)C1	ZINC000852113333	EI	On-Demand	Mild	TRY1_BOVIN	46	43
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2nc3ccccc3s2)C1	ZINC000852113334	EI	On-Demand	Mild	F2	20	43
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2nc3ccccc3s2)C1	ZINC000852113334	EI	On-Demand	Mild	TRY1_BOVIN	46	43
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)c1nc2ccccc2s1	ZINC000852113345	FH	On-Demand	Anodyne	TMPRSS6	44	33
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)c1nc2ccccc2s1	ZINC000852113346	FH	On-Demand	Anodyne	TMPRSS6	44	33
CC(C)(C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)C1)C(N)=O	ZINC000852113354	FE	On-Demand	Anodyne	CCR3	60	36
O=C1CC[C@@H](CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)O1	ZINC000852113355	CC	On-Demand	Anodyne	CHRNA4	32	57
O=C1CC[C@H](CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)O1	ZINC000852113356	CC	On-Demand	Anodyne	CHRNA4	32	57
CC(C)(C)OC(=O)N1CCO[C@@H](CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1	ZINC000852113357	GD	On-Demand	Anodyne	CHRNA4	27	51
CC(C)(C)OC(=O)N1CCO[C@H](CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1	ZINC000852113358	GD	On-Demand	Anodyne	CHRNA4	27	51
NC(=O)[C@@](O)(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1	ZINC000852113395	FC	On-Demand	Anodyne	CHRNA4	33	62
NC(=O)[C@](O)(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1	ZINC000852113396	FC	On-Demand	Anodyne	CHRNA4	33	62
O=c1cccc2n1C[C@H]1C[C@@H]2CN(CC2=NS(=O)(=O)c3ccccc32)C1	ZINC000852113403	FD	On-Demand	Anodyne	CHRNA4	32	63
CN(C)C(=O)O[C@@H]1CCCN(Cc2cn(C)cn2)C1	ZINC000852113417	CD	On-Demand	Anodyne	SLC6A1	73	33
CCOP(=O)(OCC)[C@@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	ZINC000852113425	FD	On-Demand	Anodyne	CHRNA4	31	55
CCOP(=O)(OCC)[C@H](O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	ZINC000852113426	FD	On-Demand	Anodyne	CHRNA4	31	55
Nc1cccc(CN2CCC(c3ccnc4ccccc34)CC2)c1	ZINC000852113456	DI	On-Demand	Anodyne	HNMT	44	32
C#CCOCCN1CCC[C@H]1COc1ccccc1	ZINC000852113474	CE	On-Demand	Mild	LTA4H	29	45
C#CCOCCN1CCC[C@H]1COc1ccccc1	ZINC000852113474	CE	On-Demand	Mild	CHRNA10	91	56
O=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1C=CCC1	ZINC000852113528	DF	On-Demand	Anodyne	GRM5	20	42
O=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@H]1C=CCC1	ZINC000852113529	DF	On-Demand	Anodyne	GRM5	20	42
COC[C@@H](CN1CCC(c2ccnc3ccccc23)CC1)OC	ZINC000852113606	DG	On-Demand	Anodyne	HNMT	45	33
NC(=O)[C@@](O)(CN1CCC(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852113651	GF	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@](O)(CN1CCC(c2ccnc3ccccc23)CC1)c1ccccc1	ZINC000852113652	GF	On-Demand	Anodyne	CYP2J2	43	30
N#C[C@H](c1ccccc1)N1CCC(c2ccnc3ccccc23)CC1	ZINC000852113666	EJ	On-Demand	Mild	PTAFR	33	41
N#C[C@@H](c1ccccc1)N1CCC(c2ccnc3ccccc23)CC1	ZINC000852113667	EJ	On-Demand	Mild	PTAFR	33	41
O[C@H]1CCC[C@@H](CN2CCC(c3ccnc4ccccc34)CC2)C1	ZINC000852113675	DH	On-Demand	Anodyne	HNMT	41	34
O[C@@H]1CCC[C@H](CN2CCC(c3ccnc4ccccc34)CC2)C1	ZINC000852113676	DH	On-Demand	Anodyne	HNMT	41	34
O[C@@H]1CCC[C@@H](CN2CCC(c3ccnc4ccccc34)CC2)C1	ZINC000852113677	DH	On-Demand	Anodyne	HNMT	41	34
O[C@H]1CCC[C@H](CN2CCC(c3ccnc4ccccc34)CC2)C1	ZINC000852113678	DH	On-Demand	Anodyne	HNMT	41	34
O=C(CN[C@@H](CCO)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)nc1	ZINC000852113695	GG	On-Demand	Anodyne	BTK	19	40
O=C(CN[C@H](CCO)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)nc1	ZINC000852113696	GG	On-Demand	Anodyne	BTK	19	40
O=C(CN1CCC(c2ccnc3ccccc23)CC1)Nc1ccc(Cl)nc1	ZINC000852113719	GI	On-Demand	Anodyne	IMDH_CRYPV	46	40
CCC1(NC[C@@](O)(C(N)=O)c2ccccc2)CCCC1	ZINC000852113728	CD	On-Demand	Anodyne	AMY2	53	31
CCC1(NC[C@](O)(C(N)=O)c2ccccc2)CCCC1	ZINC000852113729	CD	On-Demand	Anodyne	AMY2	53	31
C#C[C@H](NC(=O)NCc1nc(-c2cccc(Cl)c2)no1)C1CCOCC1	ZINC000852113738	FF	On-Demand	Mild	GRM5	15	42
C#C[C@@H](NC(=O)NCc1nc(-c2cccc(Cl)c2)no1)C1CCOCC1	ZINC000852113739	FF	On-Demand	Mild	GRM5	15	42
O=C(NCc1nc(-c2cccc(Cl)c2)no1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852113753	GG	On-Demand	Anodyne	GRM5	18	45
NC(=O)[C@](O)(CN1CCC(c2nc(C(F)(F)F)cs2)CC1)c1ccccc1	ZINC000852113772	GF	On-Demand	Anodyne	ETHR	26	40
NC(=O)[C@@](O)(CN1CCC(c2nc(C(F)(F)F)cs2)CC1)c1ccccc1	ZINC000852113773	GF	On-Demand	Anodyne	ETHR	26	40
c1ccc2nc(CN3CCC(c4ccnc5ccccc45)CC3)cnc2c1	ZINC000852113795	FJ	On-Demand	Anodyne	HNMT	47	36
O=C1CC[C@H](CN2CCC[C@H]2COc2ccccc2)O1	ZINC000852113819	CE	On-Demand	Anodyne	CASP3	42	43
O=C1CC[C@H](CN2CCC[C@H]2COc2ccccc2)O1	ZINC000852113819	CE	On-Demand	Anodyne	CHRNA10	83	51
O=C1CC[C@H](CN2CCC[C@H]2COc2ccccc2)O1	ZINC000852113819	CE	On-Demand	Anodyne	CASP7	41	43
O=C1CC[C@@H](CN2CCC[C@H]2COc2ccccc2)O1	ZINC000852113820	CE	On-Demand	Anodyne	CASP3	42	43
O=C1CC[C@@H](CN2CCC[C@H]2COc2ccccc2)O1	ZINC000852113820	CE	On-Demand	Anodyne	CHRNA10	83	51
O=C1CC[C@@H](CN2CCC[C@H]2COc2ccccc2)O1	ZINC000852113820	CE	On-Demand	Anodyne	CASP7	41	43
Brc1ncn(CCN2CCC[C@H]2COc2ccccc2)n1	ZINC000852113831	FF	On-Demand	Anodyne	CHRNA10	87	54
c1ccc(OC[C@@H]2CCCN2Cc2cnon2)cc1	ZINC000852113861	CE	On-Demand	Anodyne	CPT1A	44	32
c1ccc(OC[C@@H]2CCCN2Cc2cnon2)cc1	ZINC000852113861	CE	On-Demand	Anodyne	CHRNA10	96	51
CC(=O)c1[nH]c(CCN2CCC(c3ccnc4ccccc34)CC2)nc1C	ZINC000852113862	FH	On-Demand	Anodyne	HNMT	46	33
NC(=O)[C@](O)(CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1)c1ccccc1	ZINC000852113887	DD	On-Demand	Anodyne	CHRM2	21	40
NC(=O)[C@](O)(CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1)c1ccccc1	ZINC000852113887	DD	On-Demand	Anodyne	CHRM3	34	40
NC(=O)[C@](O)(CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1)c1ccccc1	ZINC000852113887	DD	On-Demand	Anodyne	CYP2J2	44	32
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113888	DD	On-Demand	Anodyne	CHRM2	21	40
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113888	DD	On-Demand	Anodyne	CHRM3	34	40
NC(=O)[C@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113888	DD	On-Demand	Anodyne	CYP2J2	44	32
NC(=O)[C@](O)(CN1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113889	DD	On-Demand	Anodyne	CHRM2	21	40
NC(=O)[C@](O)(CN1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113889	DD	On-Demand	Anodyne	CHRM3	34	40
NC(=O)[C@](O)(CN1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113889	DD	On-Demand	Anodyne	CYP2J2	44	32
NC(=O)[C@@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113890	DD	On-Demand	Anodyne	CHRM2	21	40
NC(=O)[C@@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113890	DD	On-Demand	Anodyne	CHRM3	34	40
NC(=O)[C@@](O)(CN1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)c1ccccc1	ZINC000852113890	DD	On-Demand	Anodyne	CYP2J2	44	32
O[C@@H]1CCC[C@H]1N1CCC(c2ccnc3ccccc23)CC1	ZINC000852113912	CG	On-Demand	Anodyne	SLC18A3	80	52
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cc(F)ccc1F	ZINC000852113960	EG	On-Demand	Anodyne	DRD4	19	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cc(F)ccc1F	ZINC000852113960	EG	On-Demand	Anodyne	SLC6A3	22	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cc(F)ccc1F	ZINC000852113960	EG	On-Demand	Anodyne	SIGMAR1	27	50
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cc(F)ccc1F	ZINC000852113960	EG	On-Demand	Anodyne	CCR3	29	58
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cc(F)ccc1F	ZINC000852113961	EG	On-Demand	Anodyne	DRD4	19	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cc(F)ccc1F	ZINC000852113961	EG	On-Demand	Anodyne	SLC6A3	22	40
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cc(F)ccc1F	ZINC000852113961	EG	On-Demand	Anodyne	SIGMAR1	27	50
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cc(F)ccc1F	ZINC000852113961	EG	On-Demand	Anodyne	CCR3	29	58
C[C@@H](N(C)C[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)O	ZINC000852113972	CC	On-Demand	Anodyne	AMY2	57	34
C[C@@H](N(C)C[C@](O)(C(N)=O)c1ccccc1)C(C)(C)O	ZINC000852113973	CC	On-Demand	Anodyne	AMY2	57	34
O=C(N[C@@H](CO)c1ccc(F)cc1F)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852113982	GG	On-Demand	Anodyne	MAPK1	50	35
O=C(N[C@H](CO)c1ccc(F)cc1F)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852113983	GG	On-Demand	Anodyne	MAPK1	50	35
O=C(N[C@H](c1ccccc1)C1CCOCC1)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852113984	GG	On-Demand	Anodyne	MAPK1	50	35
O=C(N[C@H](CO)c1ccc(F)cc1F)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852113985	GG	On-Demand	Anodyne	MAPK1	50	35
N#Cc1cc(F)ccc1CN1CCC(NCc2ccccc2)CC1	ZINC000852113986	DG	On-Demand	Mild	DRD4	22	42
N#Cc1cc(F)ccc1CN1CCC(NCc2ccccc2)CC1	ZINC000852113986	DG	On-Demand	Mild	ACHE	16	41
N#Cc1cc(F)ccc1CN1CCC(NCc2ccccc2)CC1	ZINC000852113986	DG	On-Demand	Mild	SIGMAR1	40	52
N#Cc1cc(F)ccc1CN1CCC(NCc2ccccc2)CC1	ZINC000852113986	DG	On-Demand	Mild	CCR3	36	63
N#Cc1cc(F)ccc1CN1CCC(NCc2ccccc2)CC1	ZINC000852113986	DG	On-Demand	Mild	MCHR1	15	44
O=C(CN1CCC(NCc2ccccc2)CC1)NCc1ccccn1	ZINC000852114000	ED	On-Demand	Anodyne	DRD4	28	47
O=C(CN1CCC(NCc2ccccc2)CC1)NCc1ccccn1	ZINC000852114000	ED	On-Demand	Anodyne	SIGMAR1	24	43
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCC[C@H](CCF)C1	ZINC000852114003	EH	On-Demand	Anodyne	REN	27	42
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCC[C@H](CCF)C1	ZINC000852114003	EH	On-Demand	Anodyne	CTSS	25	46
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCC[C@@H](CCF)C1	ZINC000852114004	EH	On-Demand	Anodyne	REN	27	42
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCC[C@@H](CCF)C1	ZINC000852114004	EH	On-Demand	Anodyne	CTSS	25	46
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCC[C@@H](CCF)C1	ZINC000852114005	EH	On-Demand	Anodyne	REN	27	42
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCC[C@@H](CCF)C1	ZINC000852114005	EH	On-Demand	Anodyne	CTSS	25	46
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCC[C@H](CCF)C1	ZINC000852114006	EH	On-Demand	Anodyne	REN	27	42
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCC[C@H](CCF)C1	ZINC000852114006	EH	On-Demand	Anodyne	CTSS	25	46
O=S(=O)(c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1)C(F)F	ZINC000852114007	GG	On-Demand	Anodyne	DRD2	16	44
O=S(=O)(c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1)C(F)F	ZINC000852114007	GG	On-Demand	Anodyne	DRD4	38	47
O=S(=O)(c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1)C(F)F	ZINC000852114007	GG	On-Demand	Anodyne	ACHE	40	42
O=S(=O)(c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1)C(F)F	ZINC000852114007	GG	On-Demand	Anodyne	SLC6A3	16	46
O=S(=O)(c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1)C(F)F	ZINC000852114007	GG	On-Demand	Anodyne	SIGMAR1	60	47
O=S(=O)(c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1)C(F)F	ZINC000852114007	GG	On-Demand	Anodyne	CCR3	15	57
O=S(=O)(c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1)C(F)F	ZINC000852114007	GG	On-Demand	Anodyne	MCHR1	21	40
O[C@H](CN1CCC[C@H]1COc1ccccc1)c1ccccn1	ZINC000852114054	CF	On-Demand	Anodyne	LTA4H	15	41
O[C@H](CN1CCC[C@H]1COc1ccccc1)c1ccccn1	ZINC000852114054	CF	On-Demand	Anodyne	CHRNA10	81	50
O[C@@H](CN1CCC[C@H]1COc1ccccc1)c1ccccn1	ZINC000852114055	CF	On-Demand	Anodyne	LTA4H	15	41
O[C@@H](CN1CCC[C@H]1COc1ccccc1)c1ccccn1	ZINC000852114055	CF	On-Demand	Anodyne	CHRNA10	81	50
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1C(F)(F)F	ZINC000852114058	GH	On-Demand	Anodyne	SIGMAR1	21	49
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1C(F)(F)F	ZINC000852114059	GH	On-Demand	Anodyne	SIGMAR1	21	49
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	DRD2	22	45
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	DRD4	34	48
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	ACHE	23	45
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	SLC6A3	21	45
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	GRIN2B	31	54
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	LTA4H	37	46
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	HRH3	36	58
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	SIGMAR1	82	50
c1ccc(CNC2CCN(CCN3CCCC3)CC2)cc1	ZINC000852114066	CE	On-Demand	Anodyne	BCHE	15	42
CCOC(=O)c1c(CN2CCC(c3ccnc4ccccc34)CC2)n[nH]c1C	ZINC000852114071	GH	On-Demand	Anodyne	SSTR5	30	44
c1ccc2c(C3CCN(Cc4ccc5c[nH]nc5c4)CC3)ccnc2c1	ZINC000852114087	EI	On-Demand	Anodyne	SSTR5	51	39
c1ccc2c(C3CCN(Cc4ccc5c[nH]nc5c4)CC3)ccnc2c1	ZINC000852114087	EI	On-Demand	Anodyne	AKT2	40	38
c1ccc2c(C3CCN(Cc4ccc5c[nH]nc5c4)CC3)ccnc2c1	ZINC000852114087	EI	On-Demand	Anodyne	HNMT	42	30
O=C(NCc1nc(-c2cccc(Cl)c2)no1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852114117	GE	On-Demand	Anodyne	GRM5	19	46
O=C(NCc1nc(-c2cccc(Cl)c2)no1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852114119	GE	On-Demand	Anodyne	GRM5	19	46
O=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@H]1COC2(CCC2)C1	ZINC000852114121	FF	On-Demand	Anodyne	GRM5	18	41
O=C(NCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1COC2(CCC2)C1	ZINC000852114122	FF	On-Demand	Anodyne	GRM5	18	41
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC(c3ccnc4ccccc34)CC2)C1	ZINC000852114128	GJ	On-Demand	Anodyne	Q8MHZ5_SHEEP	43	31
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC(c3ccnc4ccccc34)CC2)C1	ZINC000852114129	GJ	On-Demand	Anodyne	Q8MHZ5_SHEEP	43	31
Fc1cccc(CN2CCC(c3ccnc4ccccc34)CC2)n1	ZINC000852114151	DI	On-Demand	Anodyne	HNMT	46	34
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(NCc2ccccc2)CC1	ZINC000852114163	FG	On-Demand	Anodyne	DRD4	17	41
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(NCc2ccccc2)CC1	ZINC000852114163	FG	On-Demand	Anodyne	GRIN2B	17	40
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(NCc2ccccc2)CC1	ZINC000852114163	FG	On-Demand	Anodyne	SCD	15	40
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(NCc2ccccc2)CC1	ZINC000852114163	FG	On-Demand	Anodyne	G2YM83_BOTF4	65	34
NC(=O)c1ccccc1NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852114164	FD	On-Demand	Anodyne	DRD4	32	45
NC(=O)c1ccccc1NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852114164	FD	On-Demand	Anodyne	GRIN2B	24	40
NC(=O)c1ccccc1NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852114164	FD	On-Demand	Anodyne	SIGMAR1	24	43
NC(=O)c1ccccc1NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852114164	FD	On-Demand	Anodyne	CCR3	20	42
FC(F)C(F)(F)CN1CCC(NCc2ccccc2)CC1	ZINC000852114196	DG	On-Demand	Anodyne	SLC6A3	15	41
FC(F)C(F)(F)CN1CCC(NCc2ccccc2)CC1	ZINC000852114196	DG	On-Demand	Anodyne	SIGMAR1	27	41
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCC2(CC1)OCCO2	ZINC000852114215	GE	On-Demand	Anodyne	DRD4	25	43
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCC2(CC1)OCCO2	ZINC000852114215	GE	On-Demand	Anodyne	SIGMAR1	28	50
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Br)c1	ZINC000852114216	GH	On-Demand	Anodyne	DRD4	16	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Br)c1	ZINC000852114216	GH	On-Demand	Anodyne	SLC6A3	21	53
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Br)c1	ZINC000852114216	GH	On-Demand	Anodyne	SIGMAR1	22	47
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Br)c1	ZINC000852114216	GH	On-Demand	Anodyne	SLC18A3	21	53
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Br)c1	ZINC000852114217	GH	On-Demand	Anodyne	DRD4	16	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Br)c1	ZINC000852114217	GH	On-Demand	Anodyne	SLC6A3	21	53
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Br)c1	ZINC000852114217	GH	On-Demand	Anodyne	SIGMAR1	22	47
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Br)c1	ZINC000852114217	GH	On-Demand	Anodyne	SLC18A3	21	53
N#CCCNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852114237	DD	On-Demand	Mild	DRD4	31	45
N#CCCNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852114237	DD	On-Demand	Mild	GRIN2B	17	40
N#CCCNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852114237	DD	On-Demand	Mild	SIGMAR1	26	43
Brc1ncn(CCN2CCC(c3ccnc4ccccc34)CC2)n1	ZINC000852114263	GG	On-Demand	Anodyne	HNMT	51	38
O=C(NCCc1ccnc2ccccc12)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852114273	GI	On-Demand	Anodyne	TACR3	28	42
O=C(NCCc1ccnc2ccccc12)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852114275	GI	On-Demand	Anodyne	TACR3	28	42
FC1(F)C[C@H]1OCCN1CCC(c2ccnc3ccccc23)CC1	ZINC000852114300	EH	On-Demand	Anodyne	HNMT	50	36
FC1(F)C[C@@H]1OCCN1CCC(c2ccnc3ccccc23)CC1	ZINC000852114301	EH	On-Demand	Anodyne	HNMT	50	36
NC(=O)[C@](O)(CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccccc1	ZINC000852114303	ED	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccccc1	ZINC000852114304	ED	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccccc1	ZINC000852114305	ED	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccccc1	ZINC000852114306	ED	On-Demand	Anodyne	AMY2	43	29
FC(F)OCCN1CCC(c2ccnc3ccccc23)CC1	ZINC000852114307	DH	On-Demand	Anodyne	HNMT	52	38
O[C@]1(CN2CCC(c3ccnc4ccccc34)CC2)CCCOC1	ZINC000852114317	EF	On-Demand	Anodyne	HNMT	46	34
O[C@@]1(CN2CCC(c3ccnc4ccccc34)CC2)CCCOC1	ZINC000852114318	EF	On-Demand	Anodyne	HNMT	46	34
O=S1(=O)N=C(CN2CCC[C@H]2COc2ccccc2)c2ccccc21	ZINC000852114320	FF	On-Demand	Anodyne	CASP3	40	38
O=S1(=O)N=C(CN2CCC[C@H]2COc2ccccc2)c2ccccc21	ZINC000852114320	FF	On-Demand	Anodyne	CHRNA10	83	48
C[C@@H]1CN(CCN2CCC(c3ccnc4ccccc34)CC2)C[C@@H](C)O1	ZINC000852114327	FH	On-Demand	Anodyne	HNMT	51	38
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	CHRM1	19	44
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	DRD2	16	46
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	DRD4	26	47
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	ACHE	40	39
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	HRH1	17	40
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	CHRM3	17	41
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	GRIN2B	61	44
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	SIGMAR1	44	41
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	CACNA1B	18	48
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	CCR3	36	40
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	EPHX2	15	40
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	CACNA1I	47	35
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	CCR8	48	46
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	GPR119	48	45
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	SFRP1	98	46
CC(C)(C)OC(=O)N1CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114371	GH	On-Demand	Anodyne	WNT3	66	37
C[C@@H](CCC1CCCCC1)NC(=O)NCc1ncccn1	ZINC000852114373	CG	On-Demand	Anodyne	BMP1	69	38
O=C(NCC1SCCS1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114418	GG	On-Demand	Anodyne	EPHX2	24	42
O=C(NCC1SCCS1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114418	GG	On-Demand	Anodyne	MCHR1	20	45
O=C(NCC1SCCS1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114419	GG	On-Demand	Anodyne	EPHX2	24	42
O=C(NCC1SCCS1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114419	GG	On-Demand	Anodyne	MCHR1	20	45
c1ccc(CNC2CCN(CCC3OCCCO3)CC2)cc1	ZINC000852114431	DE	On-Demand	Anodyne	DRD4	28	46
c1ccc(CNC2CCN(CCC3OCCCO3)CC2)cc1	ZINC000852114431	DE	On-Demand	Anodyne	ACHE	25	41
c1ccc(CNC2CCN(CCC3OCCCO3)CC2)cc1	ZINC000852114431	DE	On-Demand	Anodyne	GRIN2B	24	44
c1ccc(CNC2CCN(CCC3OCCCO3)CC2)cc1	ZINC000852114431	DE	On-Demand	Anodyne	SIGMAR1	44	43
c1ccc(CNC2CCN(CCC3OCCCO3)CC2)cc1	ZINC000852114431	DE	On-Demand	Anodyne	CYP2J2	44	31
Fc1cccc(CN2CCC[C@H]2COc2ccccc2)n1	ZINC000852114455	CG	On-Demand	Anodyne	CASP3	41	57
Fc1cccc(CN2CCC[C@H]2COc2ccccc2)n1	ZINC000852114455	CG	On-Demand	Anodyne	CHRNA10	104	51
Fc1cccc(CN2CCC[C@H]2COc2ccccc2)n1	ZINC000852114455	CG	On-Demand	Anodyne	CASP7	39	57
CNS(=O)(=O)c1ccc(CN2CCC(c3ccnc4ccccc34)CC2)cc1	ZINC000852114457	GH	On-Demand	Anodyne	SSTR5	58	38
CNS(=O)(=O)c1ccc(CN2CCC(c3ccnc4ccccc34)CC2)cc1	ZINC000852114457	GH	On-Demand	Anodyne	HNMT	45	34
COC(=O)[C@@H]1CCC[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852114513	DC	On-Demand	Anodyne	AMY2	56	32
COC(=O)[C@@H]1CCC[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852114514	DC	On-Demand	Anodyne	AMY2	56	32
c1ccc2c(C3CCN(CCc4cnn[nH]4)CC3)ccnc2c1	ZINC000852114542	DF	On-Demand	Anodyne	HNMT	53	35
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114557	FF	On-Demand	Anodyne	TRPV1	30	47
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114557	FF	On-Demand	Anodyne	CCR2	59	41
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114557	FF	On-Demand	Anodyne	EPHX2	34	41
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114557	FF	On-Demand	Anodyne	MCHR1	27	45
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114557	FF	On-Demand	Anodyne	LIPG	48	36
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114558	FF	On-Demand	Anodyne	TRPV1	30	47
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114558	FF	On-Demand	Anodyne	CCR2	59	41
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114558	FF	On-Demand	Anodyne	EPHX2	34	41
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114558	FF	On-Demand	Anodyne	MCHR1	27	45
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114558	FF	On-Demand	Anodyne	LIPG	48	36
C=C(Br)CN1CCC(NCc2ccccc2)CC1	ZINC000852114599	DG	On-Demand	Mild	DRD4	25	47
C=C(Br)CN1CCC(NCc2ccccc2)CC1	ZINC000852114599	DG	On-Demand	Mild	GRIN2B	23	49
C=C(Br)CN1CCC(NCc2ccccc2)CC1	ZINC000852114599	DG	On-Demand	Mild	SIGMAR1	38	43
O=C1OCC[C@@H]1N1CCC(NCc2ccccc2)CC1	ZINC000852114617	CD	On-Demand	Anodyne	SIGMAR1	15	45
O=C1OCC[C@H]1N1CCC(NCc2ccccc2)CC1	ZINC000852114619	CD	On-Demand	Anodyne	SIGMAR1	15	45
NC(=O)[C@](O)(CN[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000852114622	GE	On-Demand	Anodyne	PDS	42	37
NC(=O)[C@@](O)(CN[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000852114624	GE	On-Demand	Anodyne	PDS	42	37
NC(=O)[C@@](O)(CN[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000852114626	GE	On-Demand	Anodyne	PDS	42	37
NC(=O)[C@](O)(CN[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000852114628	GE	On-Demand	Anodyne	PDS	42	37
c1ccc2c(C3CCN(Cc4cn[nH]c4)CC3)ccnc2c1	ZINC000852114662	CG	On-Demand	Anodyne	HNMT	45	32
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852114663	GH	On-Demand	Anodyne	TACR1	32	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852114663	GH	On-Demand	Anodyne	SIGMAR1	19	50
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852114663	GH	On-Demand	Anodyne	CCR2	69	45
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852114665	GH	On-Demand	Anodyne	TACR1	32	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852114665	GH	On-Demand	Anodyne	SIGMAR1	19	50
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(C(F)(F)F)c1	ZINC000852114665	GH	On-Demand	Anodyne	CCR2	69	45
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852114675	GH	On-Demand	Anodyne	CTSS	22	40
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852114677	GH	On-Demand	Anodyne	CTSS	22	40
FC(F)OCCN1CCC[C@H]1COc1ccccc1	ZINC000852114678	CF	On-Demand	Anodyne	SLC6A3	17	43
FC(F)OCCN1CCC[C@H]1COc1ccccc1	ZINC000852114678	CF	On-Demand	Anodyne	LTA4H	29	46
FC(F)OCCN1CCC[C@H]1COc1ccccc1	ZINC000852114678	CF	On-Demand	Anodyne	CHRNA10	97	58
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852114679	GH	On-Demand	Anodyne	CTSS	22	40
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852114681	GH	On-Demand	Anodyne	CTSS	22	40
O=C1O[C@@H](CN2CCC(NCc3ccccc3)CC2)CN1c1ccccc1	ZINC000852114701	FG	On-Demand	Anodyne	DRD4	15	40
O=C1O[C@@H](CN2CCC(NCc3ccccc3)CC2)CN1c1ccccc1	ZINC000852114701	FG	On-Demand	Anodyne	SIGMAR1	24	48
O=C1O[C@H](CN2CCC(NCc3ccccc3)CC2)CN1c1ccccc1	ZINC000852114703	FG	On-Demand	Anodyne	DRD4	15	40
O=C1O[C@H](CN2CCC(NCc3ccccc3)CC2)CN1c1ccccc1	ZINC000852114703	FG	On-Demand	Anodyne	SIGMAR1	24	48
CCOC(=O)N1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114719	GD	On-Demand	Anodyne	CHRM1	30	54
CCOC(=O)N1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114719	GD	On-Demand	Anodyne	DRD4	40	47
CCOC(=O)N1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114719	GD	On-Demand	Anodyne	P2RY12	72	40
CCOC(=O)N1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114719	GD	On-Demand	Anodyne	GRIN2B	41	40
CCOC(=O)N1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114719	GD	On-Demand	Anodyne	TACR1	15	43
CCOC(=O)N1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114719	GD	On-Demand	Anodyne	SIGMAR1	31	43
CCOC(=O)N1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114719	GD	On-Demand	Anodyne	SSTR5	49	38
CCOC(=O)N1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852114719	GD	On-Demand	Anodyne	CCR8	70	52
Cn1cnc(CN2CCC(c3ccnc4ccccc34)CC2)c1	ZINC000852114726	DG	On-Demand	Anodyne	HNMT	50	37
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114768	GE	On-Demand	Anodyne	SLC6A5	32	42
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114768	GE	On-Demand	Anodyne	EPHX2	24	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114768	GE	On-Demand	Anodyne	MCHR1	26	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114769	GE	On-Demand	Anodyne	SLC6A5	32	42
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114769	GE	On-Demand	Anodyne	EPHX2	24	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852114769	GE	On-Demand	Anodyne	MCHR1	26	40
O=C(NCc1nc(-c2cccc(Cl)c2)no1)NCC1SCCS1	ZINC000852114780	FF	On-Demand	Anodyne	GRM5	15	41
C[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852114788	DG	On-Demand	Anodyne	CHRM2	18	43
C[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852114788	DG	On-Demand	Anodyne	CHRM1	20	43
C[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852114788	DG	On-Demand	Anodyne	DRD4	22	45
C[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852114788	DG	On-Demand	Anodyne	CHRM3	29	43
C[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852114788	DG	On-Demand	Anodyne	GRIN2B	21	47
C[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852114788	DG	On-Demand	Anodyne	SIGMAR1	35	43
C[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852114788	DG	On-Demand	Anodyne	CYP2J2	48	35
NC(=O)[C@@](O)(CN1CCC[C@H]1COc1ccccc1)c1ccccc1	ZINC000852114795	ED	On-Demand	Anodyne	CHRM3	45	38
NC(=O)[C@@](O)(CN1CCC[C@H]1COc1ccccc1)c1ccccc1	ZINC000852114795	ED	On-Demand	Anodyne	LTA4H	20	46
NC(=O)[C@@](O)(CN1CCC[C@H]1COc1ccccc1)c1ccccc1	ZINC000852114795	ED	On-Demand	Anodyne	CPT1A	67	38
NC(=O)[C@@](O)(CN1CCC[C@H]1COc1ccccc1)c1ccccc1	ZINC000852114795	ED	On-Demand	Anodyne	CHRNA10	87	50
NC(=O)[C@](O)(CN1CCC[C@H]1COc1ccccc1)c1ccccc1	ZINC000852114797	ED	On-Demand	Anodyne	CHRM3	45	38
NC(=O)[C@](O)(CN1CCC[C@H]1COc1ccccc1)c1ccccc1	ZINC000852114797	ED	On-Demand	Anodyne	LTA4H	20	46
NC(=O)[C@](O)(CN1CCC[C@H]1COc1ccccc1)c1ccccc1	ZINC000852114797	ED	On-Demand	Anodyne	CPT1A	67	38
NC(=O)[C@](O)(CN1CCC[C@H]1COc1ccccc1)c1ccccc1	ZINC000852114797	ED	On-Demand	Anodyne	CHRNA10	87	50
CCOCCCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@H](C)C1	ZINC000852114806	GE	On-Demand	Anodyne	DRD2	32	43
CCOCCCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@H](C)C1	ZINC000852114806	GE	On-Demand	Anodyne	DRD4	25	43
CCOCCCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@H](C)C1	ZINC000852114806	GE	On-Demand	Anodyne	DRD3	43	43
CCOCCCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@@H](C)C1	ZINC000852114808	GE	On-Demand	Anodyne	DRD2	32	43
CCOCCCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@@H](C)C1	ZINC000852114808	GE	On-Demand	Anodyne	DRD4	25	43
CCOCCCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@@H](C)C1	ZINC000852114808	GE	On-Demand	Anodyne	DRD3	43	43
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(Br)c2)CC1	ZINC000852114824	GE	On-Demand	Anodyne	KCNA3	42	35
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1cccnc1Cl	ZINC000852114826	FF	On-Demand	Anodyne	DRD4	36	48
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1cccnc1Cl	ZINC000852114826	FF	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1cccnc1Cl	ZINC000852114826	FF	On-Demand	Anodyne	CCR3	18	40
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1cccnc1Cl	ZINC000852114826	FF	On-Demand	Anodyne	G2YM83_BOTF4	58	33
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	DRD2	20	42
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	DRD4	18	42
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	ACHE	16	41
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	HRH2	16	44
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	HTR2A	17	44
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	SLC6A4	15	46
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	HRH1	18	45
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	DRD3	15	42
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	KCNH2	17	43
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	LTA4H	72	51
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	HRH3	97	65
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	SIGMAR1	52	50
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	CCR3	15	45
N#Cc1ccc(OCCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114849	EH	On-Demand	Mild	MEN1	65	57
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1	ZINC000852114851	EG	On-Demand	Anodyne	TIMP3	73	36
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](c2ccccc2)C2CCOCC2)C1	ZINC000852114854	EG	On-Demand	Anodyne	TIMP3	73	36
O=C(CN1CCC(c2ccnc3ccccc23)CC1)Nc1cnccn1	ZINC000852114877	EF	On-Demand	Anodyne	HNMT	45	35
COCCN(CCF)C(=O)NCC1(c2cccc(Br)c2)CC1	ZINC000852114888	FG	On-Demand	Anodyne	KCNA3	42	37
C#CCOCCN1CCC(c2ccnc3ccccc23)CC1	ZINC000852114895	CG	On-Demand	Mild	HRH1	17	42
C#CCOCCN1CCC(c2ccnc3ccccc23)CC1	ZINC000852114895	CG	On-Demand	Mild	HNMT	72	44
CS(=O)(=O)c1ccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114898	GE	On-Demand	Anodyne	SIGMAR1	19	44
CS(=O)(=O)c1ccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114898	GE	On-Demand	Anodyne	CCR5	38	48
CS(=O)(=O)c1ccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114900	GE	On-Demand	Anodyne	SIGMAR1	19	44
CS(=O)(=O)c1ccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852114900	GE	On-Demand	Anodyne	CCR5	38	48
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852114909	GC	On-Demand	Anodyne	PROKR1	52	31
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852114911	GC	On-Demand	Anodyne	PROKR1	52	31
NC(=O)[C@@](O)(CN[C@H]1CCCC[C@H]1CC(F)(F)F)c1ccccc1	ZINC000852114948	EE	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@](O)(CN[C@H]1CCCC[C@H]1CC(F)(F)F)c1ccccc1	ZINC000852114949	EE	On-Demand	Anodyne	AMY2	43	30
c1ccc2c(C3CCN(Cc4cnon4)CC3)ccnc2c1	ZINC000852115009	CF	On-Demand	Anodyne	HNMT	46	34
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	DRD2	22	45
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	DRD4	21	44
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	ACHE	42	39
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	DRD3	23	42
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	GRIN2B	59	40
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	SIGMAR1	34	42
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	CACNA1B	21	45
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	CACNA1I	55	37
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	CCR8	75	44
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	GPR119	38	41
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	SFRP1	64	42
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115032	GH	On-Demand	Anodyne	WNT3	44	35
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	DRD2	22	45
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	DRD4	21	44
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	ACHE	42	39
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	DRD3	23	42
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	GRIN2B	59	40
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	SIGMAR1	34	42
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	CACNA1B	21	45
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	CACNA1I	55	37
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	CCR8	75	44
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	GPR119	38	41
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	SFRP1	64	42
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115034	GH	On-Demand	Anodyne	WNT3	44	35
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@H]1COc1ccccc1	ZINC000852115038	FG	On-Demand	Anodyne	LTA4H	21	41
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@H]1COc1ccccc1	ZINC000852115038	FG	On-Demand	Anodyne	CHRNA10	86	53
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H]1COc1ccccc1	ZINC000852115040	FG	On-Demand	Anodyne	LTA4H	21	41
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H]1COc1ccccc1	ZINC000852115040	FG	On-Demand	Anodyne	CHRNA10	86	53
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115049	GD	On-Demand	Reactive	DRD4	36	45
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115049	GD	On-Demand	Reactive	GRIN2B	34	40
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115049	GD	On-Demand	Reactive	SIGMAR1	29	48
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115049	GD	On-Demand	Reactive	CCR3	19	42
O=C(NCCC1SCCS1)NCc1nc(-c2cccc(Cl)c2)no1	ZINC000852115052	GG	On-Demand	Anodyne	GRM5	15	42
N#Cc1ccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115054	GD	On-Demand	Reactive	DRD4	26	48
N#Cc1ccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115054	GD	On-Demand	Reactive	SIGMAR1	23	42
N#Cc1ccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115054	GD	On-Demand	Reactive	CTRB_BOVIN	47	36
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	ADRB2	39	42
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	ADRB1	62	42
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	DRD4	25	56
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	ACHE	15	42
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	ADRB3	43	41
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	LTA4H	48	45
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	HRH3	15	43
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	SIGMAR1	27	43
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	ACOX1	79	38
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	CCR3	27	41
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	ABCB1	91	54
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	SLC6A5	32	41
CC(=O)c1ccc(OC[C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115077	GF	On-Demand	Anodyne	PDS	52	37
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	ADRB2	39	42
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	ADRB1	62	42
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	DRD4	25	56
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	ACHE	15	42
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	ADRB3	43	41
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	LTA4H	48	45
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	HRH3	15	43
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	SIGMAR1	27	43
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	ACOX1	79	38
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	CCR3	27	41
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	ABCB1	91	54
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	SLC6A5	32	41
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115078	GF	On-Demand	Anodyne	PDS	52	37
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852115080	GG	On-Demand	Anodyne	DRD4	32	44
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852115080	GG	On-Demand	Anodyne	LTA4H	28	45
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852115080	GG	On-Demand	Anodyne	KCNQ2	36	44
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852115080	GG	On-Demand	Anodyne	SIGMAR1	25	43
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852115080	GG	On-Demand	Anodyne	PRNP	39	40
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852115080	GG	On-Demand	Anodyne	MCHR1	15	42
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852115080	GG	On-Demand	Anodyne	STAT6	20	41
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852115080	GG	On-Demand	Anodyne	SLC27A1	36	42
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCC[S@](C)=O)CCC2	ZINC000852115081	FD	On-Demand	Anodyne	NQO2	22	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCC[S@@](C)=O)CCC2	ZINC000852115083	FD	On-Demand	Anodyne	NQO2	22	41
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCC[S@@](C)=O)CCC2	ZINC000852115085	FD	On-Demand	Anodyne	NQO2	22	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCC[S@](C)=O)CCC2	ZINC000852115087	FD	On-Demand	Anodyne	NQO2	22	41
Fc1ccc(CN2CCC(NCc3ccccc3)CC2)nc1	ZINC000852115089	CF	On-Demand	Anodyne	DRD4	28	49
Fc1ccc(CN2CCC(NCc3ccccc3)CC2)nc1	ZINC000852115089	CF	On-Demand	Anodyne	SLC6A3	18	43
Fc1ccc(CN2CCC(NCc3ccccc3)CC2)nc1	ZINC000852115089	CF	On-Demand	Anodyne	SIGMAR1	42	46
Fc1ccc(CN2CCC(NCc3ccccc3)CC2)nc1	ZINC000852115089	CF	On-Demand	Anodyne	CCR3	19	62
Fc1ccc(CN2CCC(NCc3ccccc3)CC2)nc1	ZINC000852115089	CF	On-Demand	Anodyne	SCN5A	54	39
C#CCCN1CCC(NCc2ccccc2)CC1	ZINC000852115123	BE	On-Demand	Mild	DRD4	21	44
C#CCCN1CCC(NCc2ccccc2)CC1	ZINC000852115123	BE	On-Demand	Mild	GRIN2B	23	49
C#CCCN1CCC(NCc2ccccc2)CC1	ZINC000852115123	BE	On-Demand	Mild	SIGMAR1	47	45
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	DRD4	27	41
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	ACHE	19	41
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	OPRK1	15	41
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	PGC	42	35
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	SIGMAR1	20	43
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	CCR3	20	41
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	CCR5	17	41
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	REN	41	38
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	ABCB1	59	41
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115125	GF	On-Demand	Anodyne	FPR1	41	35
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	DRD4	27	41
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	ACHE	19	41
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	OPRK1	15	41
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	PGC	42	35
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	SIGMAR1	20	43
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	CCR3	20	41
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	CCR5	17	41
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	REN	41	38
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	ABCB1	59	41
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115127	GF	On-Demand	Anodyne	FPR1	41	35
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	DRD2	19	43
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	DRD4	29	48
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	SLC6A3	26	41
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	HTR4	26	44
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	GRIN2B	57	43
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	LTA4H	33	45
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	TACR1	16	43
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	SIGMAR1	53	48
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	PRCP	20	40
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	CTSB	20	48
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	CTSK	21	48
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	CTSL	25	48
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	CCR3	21	45
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	CCR5	44	44
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	PREP	42	41
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	CAPN2	40	34
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	NPR	54	33
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	MCHR1	18	43
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	CYP2J2	46	32
O=C(CCN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852115149	FG	On-Demand	Anodyne	SLC12A5	59	36
COC(=O)N(C)CCNC(=O)NCCCc1ccc(Br)cc1F	ZINC000852115157	GF	On-Demand	Anodyne	MTNR1A	20	40
COC(=O)N(C)CCNC(=O)NCCCc1ccc(Br)cc1F	ZINC000852115157	GF	On-Demand	Anodyne	MTNR1B	15	51
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115171	FI	On-Demand	Bother	DRD4	39	42
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115171	FI	On-Demand	Bother	ACHE	28	47
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115171	FI	On-Demand	Bother	SIGMAR1	40	51
O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115171	FI	On-Demand	Bother	MCHR1	23	42
COc1ccc(OC)c([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115175	FF	On-Demand	Anodyne	DRD2	16	43
COc1ccc(OC)c([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115175	FF	On-Demand	Anodyne	DRD4	30	47
COc1ccc(OC)c([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115175	FF	On-Demand	Anodyne	ACHE	15	40
COc1ccc(OC)c([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115175	FF	On-Demand	Anodyne	SLC6A3	15	40
COc1ccc(OC)c([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115175	FF	On-Demand	Anodyne	SIGMAR1	33	53
COc1ccc(OC)c([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115175	FF	On-Demand	Anodyne	CCR3	20	49
COc1ccc(OC)c([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115175	FF	On-Demand	Anodyne	ABCB1	46	41
COc1ccc(OC)c([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115175	FF	On-Demand	Anodyne	MCHR1	19	42
CCCS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115181	DE	On-Demand	Anodyne	DRD2	17	43
CCCS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115181	DE	On-Demand	Anodyne	DRD4	22	44
CCCS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115181	DE	On-Demand	Anodyne	ACHE	15	40
CCCS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115181	DE	On-Demand	Anodyne	GRIN2B	23	44
CCCS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115181	DE	On-Demand	Anodyne	SIGMAR1	44	43
CCCS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115181	DE	On-Demand	Anodyne	CCR5	38	42
CCCS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115181	DE	On-Demand	Anodyne	CCR8	41	38
CN(C)S(=O)(=O)c1ccc(CN2CCC(NCc3ccccc3)CC2)o1	ZINC000852115182	GE	On-Demand	Anodyne	DRD4	30	47
CN(C)S(=O)(=O)c1ccc(CN2CCC(NCc3ccccc3)CC2)o1	ZINC000852115182	GE	On-Demand	Anodyne	SIGMAR1	41	43
c1ccc(CNC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852115183	DG	On-Demand	Anodyne	DRD4	43	58
c1ccc(CNC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852115183	DG	On-Demand	Anodyne	ACHE	19	40
c1ccc(CNC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852115183	DG	On-Demand	Anodyne	GRIN2B	30	55
c1ccc(CNC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852115183	DG	On-Demand	Anodyne	SIGMAR1	32	42
CC(=O)c1cc(F)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115185	FG	On-Demand	Clean	DRD2	19	42
CC(=O)c1cc(F)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115185	FG	On-Demand	Clean	DRD4	37	44
CC(=O)c1cc(F)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115185	FG	On-Demand	Clean	ACHE	34	42
CC(=O)c1cc(F)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115185	FG	On-Demand	Clean	KCNH2	17	40
CC(=O)c1cc(F)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115185	FG	On-Demand	Clean	SIGMAR1	38	52
CC(=O)c1cc(F)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115185	FG	On-Demand	Clean	CCR3	56	54
CC(=O)c1cc(F)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115185	FG	On-Demand	Clean	MCHR1	45	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000852115186	GH	On-Demand	Anodyne	SLC6A3	24	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000852115186	GH	On-Demand	Anodyne	SIGMAR1	20	57
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000852115186	GH	On-Demand	Anodyne	SLC6A5	29	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000852115186	GH	On-Demand	Anodyne	MCHR1	17	41
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000852115187	GH	On-Demand	Anodyne	SLC6A3	24	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000852115187	GH	On-Demand	Anodyne	SIGMAR1	20	57
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000852115187	GH	On-Demand	Anodyne	SLC6A5	29	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000852115187	GH	On-Demand	Anodyne	MCHR1	17	41
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	ESR1	40	40
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	HTR1A	16	57
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	DRD2	28	57
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	DRD4	26	43
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	HTR1D	18	40
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	SLC6A4	24	46
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	SLC6A3	32	43
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	KCNH2	16	46
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	ESR2	27	40
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	GRIN2B	19	42
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	LTA4H	58	49
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	HTR7	24	54
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	HRH3	37	52
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	SIGMAR1	50	46
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	BCHE	15	43
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	CCR3	35	60
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	CHRNA10	59	45
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	MCHR1	19	46
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	CACNA1G	20	41
Fc1cccc(OCCN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115194	EG	On-Demand	Anodyne	PDS	38	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1Cl	ZINC000852115201	GI	On-Demand	Anodyne	DRD4	30	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1Cl	ZINC000852115201	GI	On-Demand	Anodyne	SIGMAR1	27	51
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1Cl	ZINC000852115203	GI	On-Demand	Anodyne	DRD4	30	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1Cl	ZINC000852115203	GI	On-Demand	Anodyne	SIGMAR1	27	51
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115205	GD	On-Demand	Reactive	DRD4	32	46
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115205	GD	On-Demand	Reactive	SIGMAR1	19	42
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115205	GD	On-Demand	Reactive	CCR3	24	42
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115205	GD	On-Demand	Reactive	MCHR1	31	43
CN(C)CC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)C(C)(C)C	ZINC000852115207	ED	On-Demand	Reactive	UTS2	65	32
c1ccc(CNC2CCN(Cc3cccc4c3OCCO4)CC2)cc1	ZINC000852115208	EG	On-Demand	Anodyne	DRD4	20	43
c1ccc(CNC2CCN(Cc3cccc4c3OCCO4)CC2)cc1	ZINC000852115208	EG	On-Demand	Anodyne	SIGMAR1	40	43
CN(C)CC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)C(C)(C)C	ZINC000852115209	ED	On-Demand	Reactive	UTS2	65	32
C#CCNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115210	CC	On-Demand	Mild	DRD4	39	46
C#CCNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115210	CC	On-Demand	Mild	GRIN2B	22	42
C#CCNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115210	CC	On-Demand	Mild	SIGMAR1	30	46
c1ccc(CNC2CCN(Cc3cnnn3-c3ccccc3)CC2)cc1	ZINC000852115235	EG	On-Demand	Anodyne	DRD4	26	46
c1ccc(CNC2CCN(Cc3cnnn3-c3ccccc3)CC2)cc1	ZINC000852115235	EG	On-Demand	Anodyne	SIGMAR1	31	44
CN(C[C@H](O)CN1CCC(NCc2ccccc2)CC1)C(=O)OC(C)(C)C	ZINC000852115236	GE	On-Demand	Anodyne	DRD4	16	41
CN(C[C@H](O)CN1CCC(NCc2ccccc2)CC1)C(=O)OC(C)(C)C	ZINC000852115236	GE	On-Demand	Anodyne	CCR5	20	40
CN(C[C@H](O)CN1CCC(NCc2ccccc2)CC1)C(=O)OC(C)(C)C	ZINC000852115236	GE	On-Demand	Anodyne	ABCB1	58	42
c1ccc(CNC2CCN(CCC3OCCO3)CC2)cc1	ZINC000852115238	CE	On-Demand	Anodyne	DRD2	15	43
c1ccc(CNC2CCN(CCC3OCCO3)CC2)cc1	ZINC000852115238	CE	On-Demand	Anodyne	DRD4	31	45
c1ccc(CNC2CCN(CCC3OCCO3)CC2)cc1	ZINC000852115238	CE	On-Demand	Anodyne	GRIN2B	26	47
c1ccc(CNC2CCN(CCC3OCCO3)CC2)cc1	ZINC000852115238	CE	On-Demand	Anodyne	SIGMAR1	48	45
c1ccc(CNC2CCN(CCC3OCCO3)CC2)cc1	ZINC000852115238	CE	On-Demand	Anodyne	CYP2J2	42	30
Cc1nc(CN2CCC(NCc3ccccc3)CC2)nc2ccccc12	ZINC000852115241	EH	On-Demand	Anodyne	DRD4	39	48
Cc1nc(CN2CCC(NCc3ccccc3)CC2)nc2ccccc12	ZINC000852115241	EH	On-Demand	Anodyne	ACHE	27	40
Cc1nc(CN2CCC(NCc3ccccc3)CC2)nc2ccccc12	ZINC000852115241	EH	On-Demand	Anodyne	SIGMAR1	33	44
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CHRM2	25	45
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CHRM1	22	43
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	DRD2	31	49
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	DRD4	73	49
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	ACHE	61	48
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	DRD3	20	49
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	SLC6A3	25	46
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	KCNH2	21	43
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CHRM3	36	43
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	GRIN2B	21	41
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	LTA4H	61	51
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	TACR1	19	49
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	HRH3	29	46
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	SIGMAR1	92	62
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	SSTR5	73	38
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CACNA1B	16	40
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	BCHE	25	45
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CCR3	58	57
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CCR5	32	40
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	MLNR	46	35
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	FAAH	28	43
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	SLC6A5	32	47
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	PDK1	27	40
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CXCR3	30	40
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	MCHR1	70	51
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CACNA1G	36	40
CC(=O)Oc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115243	EG	On-Demand	Anodyne	CCR8	32	46
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115248	EH	On-Demand	Anodyne	DRD4	29	47
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115248	EH	On-Demand	Anodyne	SLC6A4	16	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115248	EH	On-Demand	Anodyne	SLC6A3	35	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115248	EH	On-Demand	Anodyne	SIGMAR1	37	47
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115248	EH	On-Demand	Anodyne	PRCP	26	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115248	EH	On-Demand	Anodyne	SLC18A3	17	51
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115249	EH	On-Demand	Anodyne	DRD4	29	47
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115249	EH	On-Demand	Anodyne	SLC6A4	16	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115249	EH	On-Demand	Anodyne	SLC6A3	35	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115249	EH	On-Demand	Anodyne	SIGMAR1	37	47
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115249	EH	On-Demand	Anodyne	PRCP	26	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115249	EH	On-Demand	Anodyne	SLC18A3	17	51
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	CHRM2	15	42
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	DRD2	21	48
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	DRD4	56	55
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	ACHE	48	50
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	DRD3	16	48
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	SLC6A3	21	51
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	CHRM3	17	42
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	LTA4H	21	42
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	HRH3	15	40
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	SIGMAR1	88	54
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	SSTR5	50	36
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	BCHE	15	47
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	CCR3	21	67
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	CXCR3	15	40
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	MCHR1	28	42
FCc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852115254	DH	On-Demand	Anodyne	CACNA1G	15	41
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(Cl)nc1	ZINC000852115258	FF	On-Demand	Anodyne	DRD4	35	43
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(Cl)nc1	ZINC000852115258	FF	On-Demand	Anodyne	ACHE	15	41
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(Cl)nc1	ZINC000852115258	FF	On-Demand	Anodyne	LTA4H	32	42
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(Cl)nc1	ZINC000852115258	FF	On-Demand	Anodyne	SIGMAR1	25	43
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(Cl)nc1	ZINC000852115258	FF	On-Demand	Anodyne	CCR3	19	42
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(Cl)nc1	ZINC000852115258	FF	On-Demand	Anodyne	MCHR1	18	40
O[C@@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115263	DG	On-Demand	Anodyne	DRD4	23	44
O[C@@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115263	DG	On-Demand	Anodyne	SLC6A4	23	56
O[C@@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115263	DG	On-Demand	Anodyne	SLC6A3	50	56
O[C@@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115263	DG	On-Demand	Anodyne	GRIN2B	34	47
O[C@@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115263	DG	On-Demand	Anodyne	SIGMAR1	45	44
O[C@@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115263	DG	On-Demand	Anodyne	CCR5	57	51
O[C@@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115263	DG	On-Demand	Anodyne	SLC18A3	16	40
O[C@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115264	DG	On-Demand	Anodyne	DRD4	23	44
O[C@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115264	DG	On-Demand	Anodyne	SLC6A4	23	56
O[C@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115264	DG	On-Demand	Anodyne	SLC6A3	50	56
O[C@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115264	DG	On-Demand	Anodyne	GRIN2B	34	47
O[C@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115264	DG	On-Demand	Anodyne	SIGMAR1	45	44
O[C@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115264	DG	On-Demand	Anodyne	CCR5	57	51
O[C@H](CCN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852115264	DG	On-Demand	Anodyne	SLC18A3	16	40
CN(C)c1ncnc(Cl)c1CN1CCC(NCc2ccccc2)CC1	ZINC000852115272	FF	On-Demand	Anodyne	DRD4	24	44
CN(C)c1ncnc(Cl)c1CN1CCC(NCc2ccccc2)CC1	ZINC000852115272	FF	On-Demand	Anodyne	SIGMAR1	30	43
COC(=O)N(C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000852115273	FE	On-Demand	Anodyne	CCR5	22	40
COC(=O)N(C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1	ZINC000852115273	FE	On-Demand	Anodyne	EPHX2	23	40
COC(=O)N(C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000852115274	FE	On-Demand	Anodyne	CCR5	22	40
COC(=O)N(C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1	ZINC000852115274	FE	On-Demand	Anodyne	EPHX2	23	40
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cc2ccccc2o1	ZINC000852115275	FH	On-Demand	Anodyne	DRD4	22	47
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cc2ccccc2o1	ZINC000852115275	FH	On-Demand	Anodyne	SIGMAR1	27	42
C[C@@H](CBr)CN1CCC(NCc2ccccc2)CC1	ZINC000852115288	EG	On-Demand	Reactive	DRD4	19	45
C[C@@H](CBr)CN1CCC(NCc2ccccc2)CC1	ZINC000852115288	EG	On-Demand	Reactive	SIGMAR1	29	46
ICCCN1CCC(NCc2ccccc2)CC1	ZINC000852115296	FG	On-Demand	Reactive	DRD2	19	49
ICCCN1CCC(NCc2ccccc2)CC1	ZINC000852115296	FG	On-Demand	Reactive	DRD4	26	45
ICCCN1CCC(NCc2ccccc2)CC1	ZINC000852115296	FG	On-Demand	Reactive	ACHE	17	42
ICCCN1CCC(NCc2ccccc2)CC1	ZINC000852115296	FG	On-Demand	Reactive	GRIN2B	27	50
ICCCN1CCC(NCc2ccccc2)CC1	ZINC000852115296	FG	On-Demand	Reactive	SIGMAR1	66	49
ICCCN1CCC(NCc2ccccc2)CC1	ZINC000852115296	FG	On-Demand	Reactive	BCHE	15	43
ICCCN1CCC(NCc2ccccc2)CC1	ZINC000852115296	FG	On-Demand	Reactive	CYP2J2	44	31
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc2ccccc2c1	ZINC000852115298	FI	On-Demand	Anodyne	DRD4	21	57
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc2ccccc2c1	ZINC000852115298	FI	On-Demand	Anodyne	SLC6A4	16	41
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc2ccccc2c1	ZINC000852115298	FI	On-Demand	Anodyne	SIGMAR1	23	57
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc2ccccc2c1	ZINC000852115298	FI	On-Demand	Anodyne	CCR3	17	54
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc2ccccc2c1	ZINC000852115299	FI	On-Demand	Anodyne	DRD4	21	57
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc2ccccc2c1	ZINC000852115299	FI	On-Demand	Anodyne	SLC6A4	16	41
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc2ccccc2c1	ZINC000852115299	FI	On-Demand	Anodyne	SIGMAR1	23	57
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc2ccccc2c1	ZINC000852115299	FI	On-Demand	Anodyne	CCR3	17	54
Cc1ccccc1[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115300	DG	On-Demand	Anodyne	DRD4	21	43
Cc1ccccc1[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115300	DG	On-Demand	Anodyne	SIGMAR1	28	45
Cc1ccccc1[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115300	DG	On-Demand	Anodyne	SLC18A3	17	41
Cc1ccccc1[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115300	DG	On-Demand	Anodyne	ABCB1	37	40
Cc1ccccc1[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115301	DG	On-Demand	Anodyne	DRD4	21	43
Cc1ccccc1[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115301	DG	On-Demand	Anodyne	SIGMAR1	28	45
Cc1ccccc1[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115301	DG	On-Demand	Anodyne	SLC18A3	17	41
Cc1ccccc1[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115301	DG	On-Demand	Anodyne	ABCB1	37	40
O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)N[C@H]1C=CCC1	ZINC000852115302	EG	On-Demand	Anodyne	EPHX2	31	45
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852115303	EG	On-Demand	Anodyne	EPHX2	31	45
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852115304	EG	On-Demand	Anodyne	EPHX2	31	45
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852115305	EG	On-Demand	Anodyne	EPHX2	31	45
COC(=O)C1=C(C)O[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115311	EE	On-Demand	Anodyne	DRD4	24	41
COC(=O)C1=C(C)O[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115311	EE	On-Demand	Anodyne	SIGMAR1	26	40
CCOP(=O)(OCC)[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115322	FF	On-Demand	Anodyne	DRD4	25	42
CCOP(=O)(OCC)[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115322	FF	On-Demand	Anodyne	SLC6A3	17	40
CCOP(=O)(OCC)[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115322	FF	On-Demand	Anodyne	SIGMAR1	26	42
CCOP(=O)(OCC)[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115322	FF	On-Demand	Anodyne	ADAM9	52	37
CCOP(=O)(OCC)[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115324	FF	On-Demand	Anodyne	DRD4	25	42
CCOP(=O)(OCC)[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115324	FF	On-Demand	Anodyne	SLC6A3	17	40
CCOP(=O)(OCC)[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115324	FF	On-Demand	Anodyne	SIGMAR1	26	42
CCOP(=O)(OCC)[C@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115324	FF	On-Demand	Anodyne	ADAM9	52	37
C[C@@]1(C#N)CCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1	ZINC000852115352	EG	On-Demand	Mild	CTSS	36	43
Cc1nonc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115357	CE	On-Demand	Anodyne	DRD4	30	49
Cc1nonc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115357	CE	On-Demand	Anodyne	ACHE	24	41
Cc1nonc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115357	CE	On-Demand	Anodyne	SIGMAR1	40	45
Cc1nonc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115357	CE	On-Demand	Anodyne	SSTR5	40	35
C[C@@]1(C#N)CCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1	ZINC000852115362	EG	On-Demand	Mild	CTSS	36	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	DRD4	15	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	SLC6A4	26	51
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	SLC6A3	62	51
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	GRIN2B	18	53
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	SIGMAR1	36	55
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	PRCP	15	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	CCR3	25	56
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	SLC18A3	26	51
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	ABCB1	23	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115370	EG	On-Demand	Anodyne	GRIN2C	15	53
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	DRD4	15	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	SLC6A4	26	51
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	SLC6A3	62	51
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	GRIN2B	18	53
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	SIGMAR1	36	55
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	PRCP	15	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	CCR3	25	56
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	SLC18A3	26	51
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	ABCB1	23	40
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1	ZINC000852115373	EG	On-Demand	Anodyne	GRIN2C	15	53
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)cn1	ZINC000852115375	CF	On-Demand	Anodyne	DRD4	34	50
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)cn1	ZINC000852115375	CF	On-Demand	Anodyne	ACHE	26	41
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)cn1	ZINC000852115375	CF	On-Demand	Anodyne	SIGMAR1	36	46
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)cn1	ZINC000852115375	CF	On-Demand	Anodyne	SSTR5	48	35
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)cn1	ZINC000852115375	CF	On-Demand	Anodyne	SCN5A	42	40
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	DRD4	38	60
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	ACHE	20	43
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	LTA4H	34	48
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	TACR1	15	42
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	SIGMAR1	27	52
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	TRY2_BOVIN	52	32
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	NMT1	22	42
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	ACOX1	40	36
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	CCR3	37	52
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	NPY5R	18	40
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2ccccc2c1	ZINC000852115389	FI	On-Demand	Anodyne	MCHR1	52	46
O=C(NCC1CCN(CC2CC2)CC1)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852115390	GH	On-Demand	Anodyne	HTR4	44	39
O=C(NCC1CCN(CC2CC2)CC1)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852115390	GH	On-Demand	Anodyne	TACR2	28	43
O=C(NCC1CCN(CC2CC2)CC1)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852115390	GH	On-Demand	Anodyne	CACNA1I	49	33
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852115391	GH	On-Demand	Anodyne	HTR4	44	39
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852115391	GH	On-Demand	Anodyne	TACR2	28	43
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852115391	GH	On-Demand	Anodyne	CACNA1I	49	33
O=S(=O)(CCN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115396	GG	On-Demand	Anodyne	DRD2	17	40
O=S(=O)(CCN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115396	GG	On-Demand	Anodyne	DRD4	28	41
O=S(=O)(CCN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115396	GG	On-Demand	Anodyne	SIGMAR1	42	45
O=S(=O)(CCN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)cc1	ZINC000852115396	GG	On-Demand	Anodyne	APP	22	43
C[C@@H](CCC1CCCCC1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852115408	DD	On-Demand	Reactive	CCR3	50	33
C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C1CCOCC1	ZINC000852115409	GG	On-Demand	Mild	EPHX2	20	40
C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C1CCOCC1	ZINC000852115410	GG	On-Demand	Mild	EPHX2	20	40
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C1CCOCC1	ZINC000852115411	GG	On-Demand	Mild	EPHX2	20	40
C#C[C@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)C1CCOCC1	ZINC000852115412	GG	On-Demand	Mild	EPHX2	20	40
c1ccc(CNC2CCN(CCc3cccs3)CC2)cc1	ZINC000852115413	DH	On-Demand	Anodyne	DRD4	21	45
c1ccc(CNC2CCN(CCc3cccs3)CC2)cc1	ZINC000852115413	DH	On-Demand	Anodyne	GRIN2B	17	44
c1ccc(CNC2CCN(CCc3cccs3)CC2)cc1	ZINC000852115413	DH	On-Demand	Anodyne	SIGMAR1	46	51
Fc1c(F)c(F)c(CN2CCC(NCc3ccccc3)CC2)c(F)c1F	ZINC000852115416	FI	On-Demand	Anodyne	DRD4	34	49
Fc1c(F)c(F)c(CN2CCC(NCc3ccccc3)CC2)c(F)c1F	ZINC000852115416	FI	On-Demand	Anodyne	ACHE	29	43
Fc1c(F)c(F)c(CN2CCC(NCc3ccccc3)CC2)c(F)c1F	ZINC000852115416	FI	On-Demand	Anodyne	SLC6A3	20	45
Fc1c(F)c(F)c(CN2CCC(NCc3ccccc3)CC2)c(F)c1F	ZINC000852115416	FI	On-Demand	Anodyne	SIGMAR1	56	48
Fc1c(F)c(F)c(CN2CCC(NCc3ccccc3)CC2)c(F)c1F	ZINC000852115416	FI	On-Demand	Anodyne	CCR3	16	63
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	DRD2	38	54
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	DRD4	44	45
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	ACHE	40	40
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	HTR2A	19	41
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	OPRM1	15	40
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	DRD3	41	40
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	SLC6A3	15	40
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	HTR4	41	37
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	GRIN2B	33	43
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	LTA4H	21	42
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	PGC	53	32
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	SIGMAR1	50	53
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	CACNA1B	25	40
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	BCHE	26	40
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	CCR3	27	42
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	CCR5	26	44
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	PLD1	51	35
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	REN	46	39
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	PLD2	51	35
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	FPR1	46	37
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	MCHR1	25	40
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	CACNA1G	41	40
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	CACNA1I	43	37
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	CYP2J2	49	35
CC(C)(C)OC(=O)NCCN1CCC(NCc2ccccc2)CC1	ZINC000852115423	EF	On-Demand	Anodyne	PDS	47	33
c1ccc(CNC2CCN(Cc3cccc4nsnc34)CC2)cc1	ZINC000852115424	EG	On-Demand	Anodyne	DRD4	22	47
c1ccc(CNC2CCN(Cc3cccc4nsnc34)CC2)cc1	ZINC000852115424	EG	On-Demand	Anodyne	SIGMAR1	32	42
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	DRD2	20	44
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	DRD4	50	44
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	ACHE	41	41
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	DRD3	15	42
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	TACR1	15	43
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	SIGMAR1	40	49
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	CCR3	28	46
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	PDK1	40	39
CC(=O)c1cc(Cl)cc(CN2CCC(NCc3ccccc3)CC2)c1O	ZINC000852115429	FI	On-Demand	Clean	MCHR1	41	44
CCOP(=O)(OCC)[C@@H](O)CN(C)Cc1ccccn1	ZINC000852115440	DE	On-Demand	Anodyne	FDPS	22	40
CCOP(=O)(OCC)[C@H](O)CN(C)Cc1ccccn1	ZINC000852115441	DE	On-Demand	Anodyne	FDPS	22	40
O=C1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)O1	ZINC000852115442	CD	On-Demand	Anodyne	DRD4	16	43
O=C1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)O1	ZINC000852115442	CD	On-Demand	Anodyne	SIGMAR1	30	46
O=C1CC[C@H](CN2CCC(NCc3ccccc3)CC2)O1	ZINC000852115443	CD	On-Demand	Anodyne	DRD4	16	43
O=C1CC[C@H](CN2CCC(NCc3ccccc3)CC2)O1	ZINC000852115443	CD	On-Demand	Anodyne	SIGMAR1	30	46
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	DRD4	48	49
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	ACHE	17	51
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	TACR1	15	48
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	SIGMAR1	24	44
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	CCR3	15	41
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	CCR2	24	41
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	MCHR1	18	40
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	KCNK3	52	39
Cc1cccc(C(=O)NNC(=O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115459	GE	On-Demand	Reactive	KCNK9	42	39
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	DRD2	15	40
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	DRD4	42	46
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	OPRK1	19	42
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	GRIN2B	28	42
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	LTA4H	21	40
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	TACR1	21	45
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	SIGMAR1	44	45
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	CCR3	18	44
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	CCR5	55	43
CON(C)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115479	CD	On-Demand	Anodyne	MCHR1	21	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Br	ZINC000852115497	GH	On-Demand	Anodyne	DRD4	15	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Br	ZINC000852115497	GH	On-Demand	Anodyne	SIGMAR1	24	51
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Br	ZINC000852115497	GH	On-Demand	Anodyne	SLC18A3	25	51
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Br	ZINC000852115498	GH	On-Demand	Anodyne	DRD4	15	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Br	ZINC000852115498	GH	On-Demand	Anodyne	SIGMAR1	24	51
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Br	ZINC000852115498	GH	On-Demand	Anodyne	SLC18A3	25	51
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	DRD2	18	43
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	DRD4	28	45
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	GRIN2B	29	40
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	LTA4H	17	40
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	HTR7	26	43
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	SIGMAR1	37	47
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	PRCP	27	47
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	CCR3	15	42
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	CCR5	22	44
C#CCNC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115513	CD	On-Demand	Mild	CYP2J2	46	32
Brc1ncn(CCN2CCC(NCc3ccccc3)CC2)n1	ZINC000852115522	FE	On-Demand	Anodyne	DRD4	20	44
Brc1ncn(CCN2CCC(NCc3ccccc3)CC2)n1	ZINC000852115522	FE	On-Demand	Anodyne	GRIN2B	17	46
Brc1ncn(CCN2CCC(NCc3ccccc3)CC2)n1	ZINC000852115522	FE	On-Demand	Anodyne	SIGMAR1	30	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115527	EH	On-Demand	Anodyne	DRD4	29	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115527	EH	On-Demand	Anodyne	SLC6A3	30	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115527	EH	On-Demand	Anodyne	ADRB3	42	41
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115527	EH	On-Demand	Anodyne	SIGMAR1	28	48
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115527	EH	On-Demand	Anodyne	CCR5	15	41
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115527	EH	On-Demand	Anodyne	SLC18A3	16	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115529	EH	On-Demand	Anodyne	DRD4	29	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115529	EH	On-Demand	Anodyne	SLC6A3	30	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115529	EH	On-Demand	Anodyne	ADRB3	42	41
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115529	EH	On-Demand	Anodyne	SIGMAR1	28	48
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115529	EH	On-Demand	Anodyne	CCR5	15	41
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(Cl)c1	ZINC000852115529	EH	On-Demand	Anodyne	SLC18A3	16	43
C=CC[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1	ZINC000852115538	EI	On-Demand	Mild	PGA5	46	35
C=CC[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1	ZINC000852115539	EI	On-Demand	Mild	PGA5	46	35
C=CC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1	ZINC000852115540	EI	On-Demand	Mild	PGA5	46	35
C=CC[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1	ZINC000852115541	EI	On-Demand	Mild	PGA5	46	35
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2cc3c(cc2o1)CCC3	ZINC000852115546	GI	On-Demand	Anodyne	MCHR1	15	40
C#CCN1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852115551	FD	On-Demand	Mild	DRD4	28	47
C#CCN1CCN(C(=O)CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852115551	FD	On-Demand	Mild	SIGMAR1	25	43
N#CCOc1ccc(Cl)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115552	FH	On-Demand	Mild	DRD4	32	40
N#CCOc1ccc(Cl)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115552	FH	On-Demand	Mild	PTGER1	41	39
N#CCOc1ccc(Cl)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115552	FH	On-Demand	Mild	SIGMAR1	31	46
N#CCOc1ccc(Cl)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852115552	FH	On-Demand	Mild	MCHR1	19	40
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2ccc(O)cc2o1	ZINC000852115583	FG	On-Demand	Anodyne	CYP11B1	15	40
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2ccc(O)cc2o1	ZINC000852115583	FG	On-Demand	Anodyne	DRD4	27	41
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2ccc(O)cc2o1	ZINC000852115583	FG	On-Demand	Anodyne	ACHE	25	44
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2ccc(O)cc2o1	ZINC000852115583	FG	On-Demand	Anodyne	MAOB	22	43
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2ccc(O)cc2o1	ZINC000852115583	FG	On-Demand	Anodyne	KCNH2	15	46
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2ccc(O)cc2o1	ZINC000852115583	FG	On-Demand	Anodyne	SIGMAR1	30	43
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2ccc(O)cc2o1	ZINC000852115583	FG	On-Demand	Anodyne	HSD17B3	35	56
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2ccc(O)cc2o1	ZINC000852115583	FG	On-Demand	Anodyne	MCHR1	26	46
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	CHRM1	22	46
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	CNR1	16	42
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	DRD4	39	56
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	ACHE	19	40
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	CHRM3	18	46
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	GRIN2B	38	43
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	LTA4H	24	42
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	CNR2	18	42
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	SIGMAR1	40	57
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	CCR3	19	46
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	EPHX2	33	52
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	MCHR1	24	45
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	CACNA1G	16	47
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	CCR8	19	41
O=C(CN1CCC(NCc2ccccc2)CC1)NC1CCCCCCC1	ZINC000852115604	FG	On-Demand	Anodyne	BIRC2	33	42
O=C1OCC[C@@H]1CCN1CCC(NCc2ccccc2)CC1	ZINC000852115619	DE	On-Demand	Anodyne	DRD4	16	45
O=C1OCC[C@@H]1CCN1CCC(NCc2ccccc2)CC1	ZINC000852115619	DE	On-Demand	Anodyne	GRIN2B	15	43
O=C1OCC[C@H]1CCN1CCC(NCc2ccccc2)CC1	ZINC000852115620	DE	On-Demand	Anodyne	DRD4	16	45
O=C1OCC[C@H]1CCN1CCC(NCc2ccccc2)CC1	ZINC000852115620	DE	On-Demand	Anodyne	GRIN2B	15	43
CC(C)(C)C(=O)NNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115631	ED	On-Demand	Reactive	DRD4	32	46
CC(C)(C)C(=O)NNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115631	ED	On-Demand	Reactive	GRIN2B	35	41
CC(C)(C)C(=O)NNC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115631	ED	On-Demand	Reactive	SIGMAR1	28	44
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	HTR1A	44	42
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	DRD2	57	55
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	DRD4	50	43
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	ACHE	40	42
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	HRH2	24	41
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	ADRA1D	65	44
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	HTR2A	41	44
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	SLC6A4	19	41
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	ADRA1A	96	44
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	ADRA1B	64	44
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	DRD3	75	43
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	OPRL1	16	41
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	SLC6A3	15	41
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	HTR4	49	37
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	LTA4H	19	41
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	HTR7	44	42
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	HRH3	19	44
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	SIGMAR1	57	58
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	BCHE	28	42
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	CCR3	36	48
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	CCR5	31	45
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	PREP	15	41
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	FPR1	45	38
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	MCHR1	30	42
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	CACNA1G	49	42
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	CYP2J2	50	36
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	SFRP1	41	39
CC(C)(C)OC(=O)NCCCN1CCC(NCc2ccccc2)CC1	ZINC000852115634	EG	On-Demand	Anodyne	PDS	41	32
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115641	GF	On-Demand	Anodyne	DRD4	23	42
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115641	GF	On-Demand	Anodyne	CACNA1B	15	43
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115641	GF	On-Demand	Anodyne	CCR8	62	42
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115641	GF	On-Demand	Anodyne	SFRP1	55	41
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115642	GF	On-Demand	Anodyne	DRD4	23	42
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115642	GF	On-Demand	Anodyne	CACNA1B	15	43
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115642	GF	On-Demand	Anodyne	CCR8	62	42
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852115642	GF	On-Demand	Anodyne	SFRP1	55	41
CC(C)c1ccc2c(c1)CN(C(=O)NCC[S@](C)=O)CC2	ZINC000852115643	DE	On-Demand	Anodyne	MAPK1	41	35
CC(C)c1ccc2c(c1)CN(C(=O)NCC[S@@](C)=O)CC2	ZINC000852115644	DE	On-Demand	Anodyne	MAPK1	41	35
C[S@@](=O)CCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852115652	DC	On-Demand	Anodyne	CACNA1I	57	37
FC(F)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852115681	CE	On-Demand	Anodyne	DRD2	15	40
FC(F)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852115681	CE	On-Demand	Anodyne	DRD4	28	44
FC(F)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852115681	CE	On-Demand	Anodyne	SLC6A4	27	56
FC(F)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852115681	CE	On-Demand	Anodyne	SLC6A3	66	51
FC(F)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852115681	CE	On-Demand	Anodyne	GRIN2B	18	45
FC(F)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852115681	CE	On-Demand	Anodyne	LTA4H	26	41
FC(F)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852115681	CE	On-Demand	Anodyne	SIGMAR1	50	42
CCn1nc(C)c(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852115682	DE	On-Demand	Anodyne	DRD4	30	50
CCn1nc(C)c(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852115682	DE	On-Demand	Anodyne	SIGMAR1	29	44
O[C@@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115686	CE	On-Demand	Anodyne	DRD4	24	46
O[C@@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115686	CE	On-Demand	Anodyne	SLC6A3	25	44
O[C@@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115686	CE	On-Demand	Anodyne	GRIN2B	22	48
O[C@@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115686	CE	On-Demand	Anodyne	SIGMAR1	38	49
O[C@@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115686	CE	On-Demand	Anodyne	SLC18A3	15	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115686	CE	On-Demand	Anodyne	ABCB1	29	41
O[C@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115687	CE	On-Demand	Anodyne	DRD4	24	46
O[C@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115687	CE	On-Demand	Anodyne	SLC6A3	25	44
O[C@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115687	CE	On-Demand	Anodyne	GRIN2B	22	48
O[C@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115687	CE	On-Demand	Anodyne	SIGMAR1	38	49
O[C@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115687	CE	On-Demand	Anodyne	SLC18A3	15	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)C1CC1	ZINC000852115687	CE	On-Demand	Anodyne	ABCB1	29	41
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	DRD2	16	44
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	DRD4	43	44
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	ACHE	39	40
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	DRD3	16	44
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	SIGMAR1	40	47
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	SSTR5	59	34
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	CCR3	19	45
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	MCHR1	28	45
COC(=O)Cn1cc(CN2CCC(NCc3ccccc3)CC2)nn1	ZINC000852115692	ED	On-Demand	Anodyne	CCR8	17	41
c1ccc(CNC2CCN(Cc3ccc4nonc4c3)CC2)cc1	ZINC000852115708	DF	On-Demand	Anodyne	DRD4	41	51
c1ccc(CNC2CCN(Cc3ccc4nonc4c3)CC2)cc1	ZINC000852115708	DF	On-Demand	Anodyne	ACHE	39	43
c1ccc(CNC2CCN(Cc3ccc4nonc4c3)CC2)cc1	ZINC000852115708	DF	On-Demand	Anodyne	SIGMAR1	52	46
c1ccc(CNC2CCN(Cc3ccc4nonc4c3)CC2)cc1	ZINC000852115708	DF	On-Demand	Anodyne	SSTR5	72	41
c1ccc(CNC2CCN(Cc3ccc4nonc4c3)CC2)cc1	ZINC000852115708	DF	On-Demand	Anodyne	CCR3	21	61
c1ccc(CNC2CCN(Cc3ccc4nonc4c3)CC2)cc1	ZINC000852115708	DF	On-Demand	Anodyne	MCHR1	30	43
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(NCc2ccccc2)CC1	ZINC000852115712	FG	On-Demand	Mild	SLC6A3	27	44
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(NCc2ccccc2)CC1	ZINC000852115712	FG	On-Demand	Mild	CTRB_BOVIN	46	34
Cc1cc(F)ccc1[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115740	EG	On-Demand	Anodyne	DRD4	19	41
Cc1cc(F)ccc1[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115740	EG	On-Demand	Anodyne	SIGMAR1	23	44
Cc1cc(F)ccc1[C@@H](O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115740	EG	On-Demand	Anodyne	CCR3	29	56
c1ccc(CNC2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cc1	ZINC000852115744	EG	On-Demand	Anodyne	DRD4	28	48
c1ccc(CNC2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cc1	ZINC000852115744	EG	On-Demand	Anodyne	SIGMAR1	30	42
C[C@@H](CCC1CCCCC1)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852115750	EF	On-Demand	Reactive	BMP1	56	37
C=CCCNC(=O)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852115753	CG	On-Demand	Mild	PGA5	41	32
C=CCCNC(=O)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852115754	CG	On-Demand	Mild	PGA5	41	32
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Br)cc1	ZINC000852115757	GH	On-Demand	Anodyne	SLC6A3	24	50
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Br)cc1	ZINC000852115757	GH	On-Demand	Anodyne	SIGMAR1	22	50
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Br)cc1	ZINC000852115757	GH	On-Demand	Anodyne	SLC18A3	21	67
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Br)cc1	ZINC000852115758	GH	On-Demand	Anodyne	SLC6A3	24	50
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Br)cc1	ZINC000852115758	GH	On-Demand	Anodyne	SIGMAR1	22	50
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Br)cc1	ZINC000852115758	GH	On-Demand	Anodyne	SLC18A3	21	67
CCCCC[C@@H](C)NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115761	EG	On-Demand	Anodyne	ACE	41	36
CCCCC[C@@H](C)NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115761	EG	On-Demand	Anodyne	DRD4	33	43
CCCCC[C@@H](C)NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115761	EG	On-Demand	Anodyne	TACR1	15	42
CCCCC[C@@H](C)NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115761	EG	On-Demand	Anodyne	SIGMAR1	27	58
CCCCC[C@@H](C)NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115761	EG	On-Demand	Anodyne	CTSK	22	41
CCCCC[C@@H](C)NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115761	EG	On-Demand	Anodyne	CCR5	43	42
CCCCC[C@@H](C)NC(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115761	EG	On-Demand	Anodyne	BIRC2	43	42
OC1(CN2CCC(NCc3ccccc3)CC2)CCCCC1	ZINC000852115771	DF	On-Demand	Anodyne	DRD4	16	44
OC1(CN2CCC(NCc3ccccc3)CC2)CCCCC1	ZINC000852115771	DF	On-Demand	Anodyne	SIGMAR1	34	40
O=[N+]([O-])c1ccc(Cl)c(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115772	FI	On-Demand	Bother	DRD4	35	46
O=[N+]([O-])c1ccc(Cl)c(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115772	FI	On-Demand	Bother	ACHE	29	48
O=[N+]([O-])c1ccc(Cl)c(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115772	FI	On-Demand	Bother	SIGMAR1	40	58
O=[N+]([O-])c1ccc(Cl)c(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852115772	FI	On-Demand	Bother	CCR3	18	47
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	CYP19A1	17	48
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	DRD2	18	48
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	CYP11B1	18	47
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	DRD4	39	48
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	ACHE	38	50
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	MAOB	43	50
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	DRD3	16	48
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	KCNH2	18	46
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	SIGMAR1	43	50
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	SSTR5	49	41
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	BCHE	24	43
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	CCR3	15	46
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	PDK1	40	39
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	MCHR1	41	46
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	CCR8	17	40
COc1ccc2c(CN3CCC(NCc4ccccc4)CC3)cc(=O)oc2c1	ZINC000852115775	GH	On-Demand	Anodyne	KDM1A	15	40
NC(=O)c1ccsc1NC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115776	GE	On-Demand	Anodyne	DRD4	19	41
NC(=O)c1ccsc1NC(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852115776	GE	On-Demand	Anodyne	SIGMAR1	22	43
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115778	GF	On-Demand	Clean	DRD4	26	43
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115778	GF	On-Demand	Clean	TACR1	25	42
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115778	GF	On-Demand	Clean	CCR5	44	41
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC(NCc2ccccc2)CC1	ZINC000852115778	GF	On-Demand	Clean	MCHR1	15	41
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852115797	GE	On-Demand	Anodyne	DRD4	25	43
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852115797	GE	On-Demand	Anodyne	GRIN2B	38	41
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852115797	GE	On-Demand	Anodyne	CCR3	15	40
O[C@@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115798	DD	On-Demand	Anodyne	DRD4	24	48
O[C@@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115798	DD	On-Demand	Anodyne	SLC6A3	20	44
O[C@@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115798	DD	On-Demand	Anodyne	LTA4H	17	43
O[C@@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115798	DD	On-Demand	Anodyne	SIGMAR1	40	43
O[C@@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115798	DD	On-Demand	Anodyne	SLC18A3	19	48
O[C@@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115798	DD	On-Demand	Anodyne	ABCB1	50	46
O[C@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115799	DD	On-Demand	Anodyne	DRD4	24	48
O[C@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115799	DD	On-Demand	Anodyne	SLC6A3	20	44
O[C@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115799	DD	On-Demand	Anodyne	LTA4H	17	43
O[C@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115799	DD	On-Demand	Anodyne	SIGMAR1	40	43
O[C@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115799	DD	On-Demand	Anodyne	SLC18A3	19	48
O[C@H](CN1CCCC1)CN1CCC(NCc2ccccc2)CC1	ZINC000852115799	DD	On-Demand	Anodyne	ABCB1	50	46
Fc1cccc(-c2nnc(CN3CCC(NCc4ccccc4)CC3)o2)c1	ZINC000852115808	FH	On-Demand	Anodyne	DRD4	18	48
Fc1cccc(-c2nnc(CN3CCC(NCc4ccccc4)CC3)o2)c1	ZINC000852115808	FH	On-Demand	Anodyne	SIGMAR1	21	45
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	DRD2	17	41
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	DRD4	34	46
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	DRD3	15	40
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	GRIN2B	36	42
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	LTA4H	24	43
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	SIGMAR1	51	45
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	CCR3	21	44
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	MCHR1	18	42
COC(=O)/C(C)=C\CN1CCC(NCc2ccccc2)CC1	ZINC000852115815	DE	On-Demand	Anodyne	CYP2J2	42	29
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	DRD2	17	41
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	DRD4	34	46
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	DRD3	15	40
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	GRIN2B	36	42
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	LTA4H	24	43
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	SIGMAR1	51	45
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	CCR3	21	44
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	MCHR1	18	42
COC(=O)/C(C)=C/CN1CCC(NCc2ccccc2)CC1	ZINC000852115816	DE	On-Demand	Anodyne	CYP2J2	42	29
COCCN(CCF)C(=O)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852115827	EF	On-Demand	Anodyne	CASR	40	36
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	DRD4	34	51
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	ACHE	16	47
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	GRIN2B	44	46
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	LTA4H	39	48
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	SIGMAR1	27	46
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	CCR3	19	44
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	EPHX2	15	41
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	TGM2	23	40
O=C(CN1CCC(NCc2ccccc2)CC1)Nc1ccc(O)cc1	ZINC000852115887	EF	On-Demand	Anodyne	F13A1	33	40
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCC(c2ccon2)CC1	ZINC000852115902	FH	On-Demand	Anodyne	SMO	39	40
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCC(c2ccon2)CC1	ZINC000852115904	FH	On-Demand	Anodyne	SMO	39	40
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccccc1	ZINC000852115927	FD	On-Demand	Reactive	DRD4	41	53
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccccc1	ZINC000852115927	FD	On-Demand	Reactive	ACHE	19	44
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccccc1	ZINC000852115927	FD	On-Demand	Reactive	GRIN2B	41	43
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccccc1	ZINC000852115927	FD	On-Demand	Reactive	SIGMAR1	31	46
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccccc1	ZINC000852115927	FD	On-Demand	Reactive	MCHR1	17	44
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115979	EG	On-Demand	Anodyne	DRD4	18	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115979	EG	On-Demand	Anodyne	SLC6A4	17	44
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115979	EG	On-Demand	Anodyne	SLC6A3	32	44
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115979	EG	On-Demand	Anodyne	SIGMAR1	27	47
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115979	EG	On-Demand	Anodyne	CCR3	23	56
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115979	EG	On-Demand	Anodyne	SLC18A3	20	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115980	EG	On-Demand	Anodyne	DRD4	18	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115980	EG	On-Demand	Anodyne	SLC6A4	17	44
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115980	EG	On-Demand	Anodyne	SLC6A3	32	44
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115980	EG	On-Demand	Anodyne	SIGMAR1	27	47
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115980	EG	On-Demand	Anodyne	CCR3	23	56
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccc(F)c1	ZINC000852115980	EG	On-Demand	Anodyne	SLC18A3	20	43
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852115988	EI	On-Demand	Anodyne	PRCP	15	44
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852115989	EI	On-Demand	Anodyne	PRCP	15	44
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)c(F)c1	ZINC000852115990	EG	On-Demand	Anodyne	DRD4	15	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)c(F)c1	ZINC000852115990	EG	On-Demand	Anodyne	SLC6A3	34	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)c(F)c1	ZINC000852115990	EG	On-Demand	Anodyne	SIGMAR1	23	47
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)c(F)c1	ZINC000852115991	EG	On-Demand	Anodyne	DRD4	15	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)c(F)c1	ZINC000852115991	EG	On-Demand	Anodyne	SLC6A3	34	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)c(F)c1	ZINC000852115991	EG	On-Demand	Anodyne	SIGMAR1	23	47
C=C(Cl)CN1CCC(NCc2ccccc2)CC1	ZINC000852116002	CF	On-Demand	Mild	DRD4	34	47
C=C(Cl)CN1CCC(NCc2ccccc2)CC1	ZINC000852116002	CF	On-Demand	Mild	ACHE	22	40
C=C(Cl)CN1CCC(NCc2ccccc2)CC1	ZINC000852116002	CF	On-Demand	Mild	GRIN2B	24	49
C=C(Cl)CN1CCC(NCc2ccccc2)CC1	ZINC000852116002	CF	On-Demand	Mild	SIGMAR1	45	49
C[Si](C)(C)CN1CCC(NCc2ccccc2)CC1	ZINC000852116024	CG	On-Demand	Anodyne	DRD4	34	49
C[Si](C)(C)CN1CCC(NCc2ccccc2)CC1	ZINC000852116024	CG	On-Demand	Anodyne	ACHE	21	41
C[Si](C)(C)CN1CCC(NCc2ccccc2)CC1	ZINC000852116024	CG	On-Demand	Anodyne	GRIN2B	23	51
C[Si](C)(C)CN1CCC(NCc2ccccc2)CC1	ZINC000852116024	CG	On-Demand	Anodyne	SIGMAR1	43	47
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	DRD2	19	55
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	DRD4	40	55
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	ACHE	18	48
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	HTR2A	20	45
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	GRIN2B	38	41
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	SIGMAR1	36	50
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	SSTR5	26	40
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	CCR3	39	51
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	PLD1	40	33
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	SSTR3	25	44
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	SLC6A5	28	41
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	MCHR1	24	47
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852116039	GD	On-Demand	Reactive	CACNA1G	38	42
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	DRD4	36	49
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	OPRM1	15	42
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	CELA1	18	40
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	GRIN2B	45	44
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	LTA4H	25	41
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	TACR1	19	43
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	SIGMAR1	40	45
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	CTSB	24	49
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	CTSK	22	49
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	CTSL	31	49
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	CCR3	20	46
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	CCR5	39	41
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	PREP	37	40
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	TGM2	26	40
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	F13A1	28	40
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	KDM1A	19	41
O=C(CN1CCC(NCc2ccccc2)CC1)OCc1ccccc1	ZINC000852116040	EF	On-Demand	Anodyne	SLC12A5	60	37
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1c(F)cccc1F	ZINC000852116049	EG	On-Demand	Anodyne	DRD4	16	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1c(F)cccc1F	ZINC000852116049	EG	On-Demand	Anodyne	SIGMAR1	27	45
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1c(F)cccc1F	ZINC000852116049	EG	On-Demand	Anodyne	SLC18A3	18	40
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1c(F)cccc1F	ZINC000852116050	EG	On-Demand	Anodyne	DRD4	16	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1c(F)cccc1F	ZINC000852116050	EG	On-Demand	Anodyne	SIGMAR1	27	45
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1c(F)cccc1F	ZINC000852116050	EG	On-Demand	Anodyne	SLC18A3	18	40
N#Cc1ccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116053	EF	On-Demand	Mild	SLC6A3	16	47
N#Cc1ccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116053	EF	On-Demand	Mild	SIGMAR1	21	40
N#Cc1ccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116054	EF	On-Demand	Mild	SLC6A3	16	47
N#Cc1ccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116054	EF	On-Demand	Mild	SIGMAR1	21	40
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCN([C@H]2CCOC2)CC1	ZINC000852116062	FE	On-Demand	Anodyne	PRCP	15	43
O=C(N[C@@H](c1ccccc1)C1CCOCC1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852116063	FE	On-Demand	Anodyne	PRCP	15	43
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCN([C@H]2CCOC2)CC1	ZINC000852116064	FE	On-Demand	Anodyne	PRCP	15	43
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852116065	FE	On-Demand	Anodyne	PRCP	15	43
O=C(NCc1cccnc1N1CCCC1)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852116075	GH	On-Demand	Anodyne	SCN2A	17	40
O=C(NCc1cccnc1N1CCCC1)N[C@@H](c1ccccc1)C1CCOCC1	ZINC000852116075	GH	On-Demand	Anodyne	SCN10A	22	41
O=C(NCc1cccnc1N1CCCC1)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852116076	GH	On-Demand	Anodyne	SCN2A	17	40
O=C(NCc1cccnc1N1CCCC1)N[C@H](c1ccccc1)C1CCOCC1	ZINC000852116076	GH	On-Demand	Anodyne	SCN10A	22	41
C#CCNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116101	CD	On-Demand	Mild	GRIN2B	16	45
C#CCNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116101	CD	On-Demand	Mild	SIGMAR1	18	41
C#CCNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116101	CD	On-Demand	Mild	CCR5	19	43
C#CCNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116102	CD	On-Demand	Mild	GRIN2B	16	45
C#CCNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116102	CD	On-Demand	Mild	SIGMAR1	18	41
C#CCNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116102	CD	On-Demand	Mild	CCR5	19	43
C[C@@H](CCC1CCCCC1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852116111	GI	On-Demand	Clean	CCR3	49	37
C[C@@H](CCC1CCCCC1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852116111	GI	On-Demand	Clean	PROC	46	40
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@H]1C	ZINC000852116116	GD	On-Demand	Anodyne	CACNA1C	54	36
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@H]1C	ZINC000852116116	GD	On-Demand	Anodyne	SIGMAR1	29	40
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@H]1C	ZINC000852116116	GD	On-Demand	Anodyne	SSTR5	48	34
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@H]1C	ZINC000852116116	GD	On-Demand	Anodyne	CACNA1D	27	42
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@H]1C	ZINC000852116116	GD	On-Demand	Anodyne	SLC27A4	58	31
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@@H]1C	ZINC000852116117	GD	On-Demand	Anodyne	CACNA1C	54	36
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@@H]1C	ZINC000852116117	GD	On-Demand	Anodyne	SIGMAR1	29	40
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@@H]1C	ZINC000852116117	GD	On-Demand	Anodyne	SSTR5	48	34
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@@H]1C	ZINC000852116117	GD	On-Demand	Anodyne	CACNA1D	27	42
CCOC(=O)C1=C(CN2CCC(NCc3ccccc3)CC2)NC(=O)N[C@@H]1C	ZINC000852116117	GD	On-Demand	Anodyne	SLC27A4	58	31
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	DRD4	23	46
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	GRIN2B	53	40
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	SIGMAR1	38	40
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	CACNA1B	19	46
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	CCR3	31	43
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	CCR5	40	37
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	CCR8	63	44
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	GPR119	40	42
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	SFRP1	107	45
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116126	FG	On-Demand	Anodyne	WNT3	71	38
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	DRD4	23	46
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	GRIN2B	53	40
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	SIGMAR1	38	40
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	CACNA1B	19	46
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	CCR3	31	43
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	CCR5	40	37
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	CCR8	63	44
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	GPR119	40	42
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	SFRP1	107	45
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852116127	FG	On-Demand	Anodyne	WNT3	71	38
COCCS(=O)(=O)CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116130	FD	On-Demand	Anodyne	DRD2	23	41
COCCS(=O)(=O)CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116130	FD	On-Demand	Anodyne	DRD4	25	40
COCCS(=O)(=O)CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116130	FD	On-Demand	Anodyne	ACHE	17	41
COCCS(=O)(=O)CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116130	FD	On-Demand	Anodyne	SLC6A3	22	45
COCCS(=O)(=O)CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116130	FD	On-Demand	Anodyne	GRIN2B	15	40
COCCS(=O)(=O)CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116130	FD	On-Demand	Anodyne	LTA4H	15	40
COCCS(=O)(=O)CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116130	FD	On-Demand	Anodyne	HRH3	17	48
COCCS(=O)(=O)CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116130	FD	On-Demand	Anodyne	SIGMAR1	49	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1F	ZINC000852116133	EG	On-Demand	Anodyne	DRD4	16	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1F	ZINC000852116133	EG	On-Demand	Anodyne	SLC6A3	21	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1F	ZINC000852116133	EG	On-Demand	Anodyne	SIGMAR1	25	50
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1F	ZINC000852116133	EG	On-Demand	Anodyne	CCR3	29	58
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1F	ZINC000852116134	EG	On-Demand	Anodyne	DRD4	16	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1F	ZINC000852116134	EG	On-Demand	Anodyne	SLC6A3	21	40
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1F	ZINC000852116134	EG	On-Demand	Anodyne	SIGMAR1	25	50
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1F	ZINC000852116134	EG	On-Demand	Anodyne	CCR3	29	58
O=[N+]([O-])c1ccc(F)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852116152	EG	On-Demand	Bother	DRD4	23	40
O=[N+]([O-])c1ccc(F)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852116152	EG	On-Demand	Bother	ACHE	17	47
O=[N+]([O-])c1ccc(F)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852116152	EG	On-Demand	Bother	SIGMAR1	35	53
O=[N+]([O-])c1ccc(F)cc1CN1CCC(NCc2ccccc2)CC1	ZINC000852116152	EG	On-Demand	Bother	CCR3	36	61
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852116158	GF	On-Demand	Anodyne	MCHR1	24	40
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1	ZINC000852116158	GF	On-Demand	Anodyne	LIPG	45	39
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1cccs1	ZINC000852116159	FD	On-Demand	Reactive	DRD4	26	45
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)c1cccs1	ZINC000852116159	FD	On-Demand	Reactive	SIGMAR1	20	47
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CC[C@@H]2C[C@H]2C1	ZINC000852116162	DG	On-Demand	Anodyne	RBP4	45	39
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852116163	DG	On-Demand	Anodyne	RBP4	45	39
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CC[C@H]2C[C@H]2C1	ZINC000852116164	DG	On-Demand	Anodyne	RBP4	45	39
O=C(N[C@H](c1ccccc1)C1CCOCC1)N1CC[C@H]2C[C@@H]2C1	ZINC000852116165	DG	On-Demand	Anodyne	RBP4	45	39
O=C1OCCN1CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116172	DE	On-Demand	Anodyne	SIGMAR1	42	40
O=C1OCCN1CCCN1CCC(NCc2ccccc2)CC1	ZINC000852116172	DE	On-Demand	Anodyne	CYP2J2	44	31
N#CC[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1	ZINC000852116173	EG	On-Demand	Mild	CTSS	33	51
N#CC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1	ZINC000852116174	EG	On-Demand	Mild	CTSS	33	51
N#CC[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1	ZINC000852116175	EG	On-Demand	Mild	CTSS	33	51
N#CC[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1	ZINC000852116176	EG	On-Demand	Mild	CTSS	33	51
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	DRD2	15	46
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	DRD4	43	47
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	ACHE	39	42
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	SLC6A3	15	46
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	LTA4H	47	44
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	HRH3	23	49
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	SIGMAR1	68	52
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	CCR3	22	60
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	SLC6A5	17	45
N#CCOc1ccc(CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116183	EG	On-Demand	Mild	MCHR1	25	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1F	ZINC000852116184	EG	On-Demand	Anodyne	DRD4	15	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1F	ZINC000852116184	EG	On-Demand	Anodyne	SIGMAR1	29	46
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1F	ZINC000852116184	EG	On-Demand	Anodyne	SLC18A3	19	41
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1F	ZINC000852116185	EG	On-Demand	Anodyne	DRD4	15	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1F	ZINC000852116185	EG	On-Demand	Anodyne	SIGMAR1	29	46
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1F	ZINC000852116185	EG	On-Demand	Anodyne	SLC18A3	19	41
O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852116190	GG	On-Demand	Anodyne	EPHX2	26	41
O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852116191	GG	On-Demand	Anodyne	EPHX2	26	41
O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852116192	GG	On-Demand	Anodyne	EPHX2	26	41
C[S@@](=O)CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852116203	DD	On-Demand	Anodyne	MTNR1A	42	45
C[S@@](=O)CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852116203	DD	On-Demand	Anodyne	MTNR1B	29	45
C[S@@](=O)CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852116203	DD	On-Demand	Anodyne	HNMT	45	34
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116208	DE	On-Demand	Anodyne	SLC6A3	20	44
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116208	DE	On-Demand	Anodyne	ADRB3	44	44
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116208	DE	On-Demand	Anodyne	PTAFR	15	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116208	DE	On-Demand	Anodyne	C3AR1	41	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116208	DE	On-Demand	Anodyne	SLC18A3	15	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116209	DE	On-Demand	Anodyne	SLC6A3	20	44
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116209	DE	On-Demand	Anodyne	ADRB3	44	44
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116209	DE	On-Demand	Anodyne	PTAFR	15	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116209	DE	On-Demand	Anodyne	C3AR1	41	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1cccnc1	ZINC000852116209	DE	On-Demand	Anodyne	SLC18A3	15	43
C[S@@](=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852116214	EC	On-Demand	Anodyne	DRD4	21	41
C[S@@](=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852116214	EC	On-Demand	Anodyne	ACHE	37	48
C[S@@](=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852116214	EC	On-Demand	Anodyne	HTR4	45	41
C[S@@](=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852116214	EC	On-Demand	Anodyne	SIGMAR1	28	45
C[S@@](=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852116214	EC	On-Demand	Anodyne	SSTR5	55	38
C[S@@](=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852116214	EC	On-Demand	Anodyne	CCR3	43	41
C[S@@](=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852116214	EC	On-Demand	Anodyne	CACNA1I	70	44
C[S@@](=O)CCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852116223	CD	On-Demand	Anodyne	EPHX2	30	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1Cl	ZINC000852116225	FH	On-Demand	Anodyne	DRD4	22	41
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1Cl	ZINC000852116225	FH	On-Demand	Anodyne	SIGMAR1	27	46
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1Cl	ZINC000852116225	FH	On-Demand	Anodyne	CCR3	33	56
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1Cl	ZINC000852116226	FH	On-Demand	Anodyne	DRD4	22	41
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1Cl	ZINC000852116226	FH	On-Demand	Anodyne	SIGMAR1	27	46
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cc1Cl	ZINC000852116226	FH	On-Demand	Anodyne	CCR3	33	56
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116233	FH	On-Demand	Anodyne	DRD4	18	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116233	FH	On-Demand	Anodyne	SLC6A4	15	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116233	FH	On-Demand	Anodyne	SLC6A3	34	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116233	FH	On-Demand	Anodyne	SIGMAR1	23	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116233	FH	On-Demand	Anodyne	CCR3	19	47
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116234	FH	On-Demand	Anodyne	DRD4	18	40
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116234	FH	On-Demand	Anodyne	SLC6A4	15	40
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116234	FH	On-Demand	Anodyne	SLC6A3	34	43
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116234	FH	On-Demand	Anodyne	SIGMAR1	23	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(Cl)c(F)c1	ZINC000852116234	FH	On-Demand	Anodyne	CCR3	19	47
O=S1(=O)CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852116244	EE	On-Demand	Anodyne	DRD4	19	44
O=S1(=O)CCC(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852116244	EE	On-Demand	Anodyne	SIGMAR1	44	41
Brc1cccc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116259	FH	On-Demand	Anodyne	DRD4	32	53
Brc1cccc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116259	FH	On-Demand	Anodyne	SIGMAR1	35	44
Brc1cccc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116259	FH	On-Demand	Anodyne	SCN5A	40	40
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)s1	ZINC000852116260	DG	On-Demand	Anodyne	DRD4	33	49
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)s1	ZINC000852116260	DG	On-Demand	Anodyne	ACHE	23	40
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)s1	ZINC000852116260	DG	On-Demand	Anodyne	SIGMAR1	35	45
Cc1cnc(CN2CCC(NCc3ccccc3)CC2)s1	ZINC000852116260	DG	On-Demand	Anodyne	SSTR5	43	34
O=C1c2ccccc2C(=O)N1OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116261	GF	On-Demand	Anodyne	HTR1A	16	40
O=C1c2ccccc2C(=O)N1OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116261	GF	On-Demand	Anodyne	DRD2	15	46
O=C1c2ccccc2C(=O)N1OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116261	GF	On-Demand	Anodyne	DRD4	15	40
O=C1c2ccccc2C(=O)N1OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116261	GF	On-Demand	Anodyne	ACHE	17	40
O=C1c2ccccc2C(=O)N1OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116261	GF	On-Demand	Anodyne	HRH3	19	51
O=C1c2ccccc2C(=O)N1OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116261	GF	On-Demand	Anodyne	SIGMAR1	43	40
C#CCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116264	CF	On-Demand	Mild	DRD4	16	43
C#CCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116264	CF	On-Demand	Mild	GRIN2B	22	47
C#CCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116264	CF	On-Demand	Mild	SIGMAR1	50	46
C#CCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116264	CF	On-Demand	Mild	CYP2J2	45	32
O=C1CC[C@H](N2CCC(NCc3ccccc3)CC2)C(=O)N1	ZINC000852116265	DD	On-Demand	Anodyne	OPRL1	19	41
O=C1CC[C@@H](N2CCC(NCc3ccccc3)CC2)C(=O)N1	ZINC000852116266	DD	On-Demand	Anodyne	OPRL1	19	41
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	DRD2	20	41
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	DRD4	35	45
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	HRH1	15	44
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	OPRM1	17	43
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	OPRK1	15	41
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	GRIN2B	30	40
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	LTA4H	20	42
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	TACR1	18	44
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	SIGMAR1	48	41
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	CCR3	17	42
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	CCR5	48	44
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	MCHR1	21	40
CON(C)C(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116271	DD	On-Demand	Anodyne	CYP2J2	46	33
CCC(CC)(CNC(=O)NCC[S@@](C)=O)c1ccc(F)cc1	ZINC000852116286	EF	On-Demand	Anodyne	CACNA1G	39	45
CCC(CC)(CNC(=O)NCC[S@](C)=O)c1ccc(F)cc1	ZINC000852116287	EF	On-Demand	Anodyne	CACNA1G	39	45
O=C1[C@H](N2CCC(NCc3ccccc3)CC2)CCCN1Cc1ccccc1	ZINC000852116288	GG	On-Demand	Anodyne	SIGMAR1	23	42
O=C1[C@@H](N2CCC(NCc3ccccc3)CC2)CCCN1Cc1ccccc1	ZINC000852116289	GG	On-Demand	Anodyne	SIGMAR1	23	42
c1ccc(CNC2CCN(Cc3cnon3)CC2)cc1	ZINC000852116290	CD	On-Demand	Anodyne	DRD4	27	53
c1ccc(CNC2CCN(Cc3cnon3)CC2)cc1	ZINC000852116290	CD	On-Demand	Anodyne	ACHE	21	40
c1ccc(CNC2CCN(Cc3cnon3)CC2)cc1	ZINC000852116290	CD	On-Demand	Anodyne	SIGMAR1	38	43
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	ACE	54	35
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	GRIN2B	30	45
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	MME	48	35
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	TACR1	16	41
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	SIGMAR1	17	40
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	CCR5	16	41
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	CAPN2	45	36
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	ACE2	43	33
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	XIAP	42	37
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	BIRC2	31	41
CCC(=O)NNC(=O)[C@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116291	ED	On-Demand	Reactive	BRCA1	44	31
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	ACE	54	35
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	GRIN2B	30	45
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	MME	48	35
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	TACR1	16	41
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	SIGMAR1	17	40
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	CCR5	16	41
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	CAPN2	45	36
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	ACE2	43	33
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	XIAP	42	37
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	BIRC2	31	41
CCC(=O)NNC(=O)[C@@H](C)N1CCC(NCc2ccccc2)CC1	ZINC000852116292	ED	On-Demand	Reactive	BRCA1	44	31
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cn1	ZINC000852116305	EF	On-Demand	Anodyne	SIGMAR1	20	40
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cn1	ZINC000852116305	EF	On-Demand	Anodyne	CCR3	15	51
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cn1	ZINC000852116306	EF	On-Demand	Anodyne	SIGMAR1	20	40
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccc(F)cn1	ZINC000852116306	EF	On-Demand	Anodyne	CCR3	15	51
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2cc(Cl)c(O)cc2o1	ZINC000852116307	GH	On-Demand	Anodyne	DRD4	36	40
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2cc(Cl)c(O)cc2o1	ZINC000852116307	GH	On-Demand	Anodyne	KCNH2	15	42
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2cc(Cl)c(O)cc2o1	ZINC000852116307	GH	On-Demand	Anodyne	SIGMAR1	32	49
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2cc(Cl)c(O)cc2o1	ZINC000852116307	GH	On-Demand	Anodyne	PDK1	42	41
O=c1cc(CN2CCC(NCc3ccccc3)CC2)c2cc(Cl)c(O)cc2o1	ZINC000852116307	GH	On-Demand	Anodyne	MCHR1	27	42
C#CCOCCN1CCC(NCc2ccccc2)CC1	ZINC000852116308	CD	On-Demand	Mild	SLC6A3	19	41
C#CCOCCN1CCC(NCc2ccccc2)CC1	ZINC000852116308	CD	On-Demand	Mild	LTA4H	26	41
C#CCOCCN1CCC(NCc2ccccc2)CC1	ZINC000852116308	CD	On-Demand	Mild	SIGMAR1	39	42
CC(C)(C)OC(=O)N1CC(N2CCC(NCc3ccccc3)CC2)C1	ZINC000852116309	EF	On-Demand	Anodyne	TACR1	18	43
CC(C)(C)OC(=O)N1CC(N2CCC(NCc3ccccc3)CC2)C1	ZINC000852116309	EF	On-Demand	Anodyne	CACNA1B	18	45
CC(C)(C)OC(=O)N1CC(N2CCC(NCc3ccccc3)CC2)C1	ZINC000852116309	EF	On-Demand	Anodyne	CCR8	21	40
CC(C)(C)OC(=O)N1CC(N2CCC(NCc3ccccc3)CC2)C1	ZINC000852116309	EF	On-Demand	Anodyne	GPR119	42	40
CC(C)(C)OC(=O)N1CC(N2CCC(NCc3ccccc3)CC2)C1	ZINC000852116309	EF	On-Demand	Anodyne	SFRP1	29	41
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	DRD2	15	46
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	DRD4	45	50
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	ACHE	36	40
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	DRD3	15	46
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	GRIN2B	17	41
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	SIGMAR1	38	44
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	SSTR5	50	36
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	CCR3	17	54
Cc1cc(O)nc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852116317	DE	On-Demand	Anodyne	MCHR1	27	41
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc2ccccc12	ZINC000852116318	FI	On-Demand	Anodyne	DRD4	22	50
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc2ccccc12	ZINC000852116318	FI	On-Demand	Anodyne	SIGMAR1	26	49
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1cccc2ccccc12	ZINC000852116318	FI	On-Demand	Anodyne	SLC18A3	15	40
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852116319	FE	On-Demand	Anodyne	DRD4	42	34
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852116319	FE	On-Demand	Anodyne	BCL2A1	50	36
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852116319	FE	On-Demand	Anodyne	RPA1	43	32
BrC1(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852116325	DG	On-Demand	Anodyne	DRD4	20	45
BrC1(CN2CCC(NCc3ccccc3)CC2)CC1	ZINC000852116325	DG	On-Demand	Anodyne	SIGMAR1	52	43
O=C(CN1CCC(NCc2ccccc2)CC1)N1CCC2(CC1)OCCO2	ZINC000852116330	FD	On-Demand	Anodyne	DRD4	15	46
c1ccc(CNC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1	ZINC000852116346	DG	On-Demand	Anodyne	DRD2	15	40
c1ccc(CNC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1	ZINC000852116346	DG	On-Demand	Anodyne	DRD4	41	47
c1ccc(CNC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1	ZINC000852116346	DG	On-Demand	Anodyne	ACHE	38	40
c1ccc(CNC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1	ZINC000852116346	DG	On-Demand	Anodyne	SIGMAR1	79	47
c1ccc(CNC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1	ZINC000852116346	DG	On-Demand	Anodyne	SSTR5	46	39
c1ccc(CNC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1	ZINC000852116346	DG	On-Demand	Anodyne	CCR3	17	62
c1ccc(CNC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1	ZINC000852116346	DG	On-Demand	Anodyne	MCHR1	32	43
c1ccc(CNC2CCN(Cc3ccc4c(c3)COC4)CC2)cc1	ZINC000852116346	DG	On-Demand	Anodyne	MCHR2	44	32
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Cl	ZINC000852116351	EH	On-Demand	Anodyne	DRD4	26	43
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Cl	ZINC000852116351	EH	On-Demand	Anodyne	OPRL1	44	41
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Cl	ZINC000852116351	EH	On-Demand	Anodyne	SLC6A3	18	41
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Cl	ZINC000852116351	EH	On-Demand	Anodyne	SIGMAR1	35	47
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccc1Cl	ZINC000852116351	EH	On-Demand	Anodyne	SLC18A3	20	41
CN(C)CC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C	ZINC000852116364	GF	On-Demand	Clean	VHL	48	33
CN(C)CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C	ZINC000852116365	GF	On-Demand	Clean	VHL	48	33
C[S@@](=O)CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852116385	EE	On-Demand	Anodyne	KCNH2	43	41
C[S@@](=O)CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852116385	EE	On-Demand	Anodyne	GLRA1	42	32
C[S@@](=O)CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852116515	FD	On-Demand	Anodyne	AMY2	43	30
C[S@@](=O)CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852116515	FD	On-Demand	Anodyne	SSTR3	33	46
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	ESR1	43	37
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	DRD2	19	43
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	DRD4	22	42
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	DRD3	15	44
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	LTA4H	83	55
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	HTR7	18	43
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	HRH3	39	49
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	SIGMAR1	36	44
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	NR1H4	41	40
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	CACNA1G	16	40
COC(=O)/C=C\c1ccc(OCCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852116537	GH	On-Demand	Anodyne	PSMB1	42	38
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852116538	FE	On-Demand	Anodyne	DRD2	17	42
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852116538	FE	On-Demand	Anodyne	CNR1	53	46
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852116538	FE	On-Demand	Anodyne	DRD3	29	44
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852116538	FE	On-Demand	Anodyne	CNR2	20	46
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852116538	FE	On-Demand	Anodyne	MC4R	73	38
C[S@@](=O)CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852116538	FE	On-Demand	Anodyne	CXCR3	18	46
O=S(=O)(CCN1CCC(NCc2ccccc2)CC1)Cc1ccccc1	ZINC000852116552	FF	On-Demand	Anodyne	DRD4	21	45
O=S(=O)(CCN1CCC(NCc2ccccc2)CC1)Cc1ccccc1	ZINC000852116552	FF	On-Demand	Anodyne	GRIN2B	24	47
O=S(=O)(CCN1CCC(NCc2ccccc2)CC1)Cc1ccccc1	ZINC000852116552	FF	On-Demand	Anodyne	SIGMAR1	46	42
O=S(=O)(CCN1CCC(NCc2ccccc2)CC1)Cc1ccccc1	ZINC000852116552	FF	On-Demand	Anodyne	CCR5	23	40
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	DRD2	20	42
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	DRD4	55	50
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	ACHE	42	42
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	DRD3	18	42
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	SIGMAR1	57	50
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	SSTR5	64	38
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	CCR3	21	60
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	CXCR3	23	40
Fc1cc(CN2CCC(NCc3ccccc3)CC2)cnc1Cl	ZINC000852116563	EH	On-Demand	Anodyne	MCHR1	37	45
Cn1cc(CCNC(=O)NCC[S@](C)=O)c2ccccc21	ZINC000852116564	DD	On-Demand	Anodyne	MTNR1A	16	45
Cn1cc(CCNC(=O)NCC[S@@](C)=O)c2ccccc21	ZINC000852116565	DD	On-Demand	Anodyne	MTNR1A	16	45
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	HTR1A	15	40
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	CHRM1	20	44
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	DRD2	21	42
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	DRD4	26	45
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	HTR2A	15	42
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	SLC6A3	18	43
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	GRIN2B	32	40
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	LTA4H	21	49
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	HRH3	30	51
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	SIGMAR1	52	44
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	BCHE	16	45
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	CCR3	18	42
NC(=O)NC(=O)OCCCN1CCC(NCc2ccccc2)CC1	ZINC000852116570	ED	On-Demand	Anodyne	CYP2J2	49	34
Cc1oncc1CN1CCC(NCc2ccccc2)CC1	ZINC000852116581	CF	On-Demand	Anodyne	DRD4	36	48
Cc1oncc1CN1CCC(NCc2ccccc2)CC1	ZINC000852116581	CF	On-Demand	Anodyne	ACHE	28	41
Cc1oncc1CN1CCC(NCc2ccccc2)CC1	ZINC000852116581	CF	On-Demand	Anodyne	SIGMAR1	46	46
O=C(NCC[S@@](=O)Cc1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852116678	GE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCC[S@@](=O)Cc1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852116678	GE	On-Demand	Anodyne	SCN10A	19	43
O=C(NCC[S@](=O)Cc1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852116679	GE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCC[S@](=O)Cc1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852116679	GE	On-Demand	Anodyne	SCN10A	19	43
CCOC(=O)C1=C(CNC2(CCO)CCCC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852116692	GE	On-Demand	Anodyne	SLC27A4	78	36
CCOC(=O)C1=C(CNC2(CCO)CCCC2)NC(=O)N[C@H]1c1ccccc1	ZINC000852116693	GE	On-Demand	Anodyne	SLC27A4	78	36
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	CHRM1	19	42
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	DRD2	19	40
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	DRD4	27	47
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	HRH1	16	40
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	SLC6A3	28	45
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	HTR4	38	42
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	GRIN2B	35	43
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	LTA4H	42	52
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	TACR1	15	42
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	HTR7	16	40
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	HRH3	16	48
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	SIGMAR1	53	53
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	CCR3	22	45
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	CCR5	31	41
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	MCHR1	16	40
O=C(Cc1ccccc1)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116710	FG	On-Demand	Anodyne	CYP2J2	42	30
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@@](C)=O)C2)c1	ZINC000852116721	DD	On-Demand	Anodyne	DRD4	47	36
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@@](C)=O)C2)c1	ZINC000852116721	DD	On-Demand	Anodyne	MTNR1A	40	36
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@@](C)=O)C2)c1	ZINC000852116721	DD	On-Demand	Anodyne	MTNR1B	40	37
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@](C)=O)C2)c1	ZINC000852116722	DD	On-Demand	Anodyne	DRD4	47	36
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@](C)=O)C2)c1	ZINC000852116722	DD	On-Demand	Anodyne	MTNR1A	40	36
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@](C)=O)C2)c1	ZINC000852116722	DD	On-Demand	Anodyne	MTNR1B	40	37
C[S@@](=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116752	CD	On-Demand	Anodyne	DRD2	17	40
C[S@@](=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116752	CD	On-Demand	Anodyne	DRD4	31	46
C[S@@](=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116752	CD	On-Demand	Anodyne	ACHE	20	43
C[S@@](=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116752	CD	On-Demand	Anodyne	GRIN2B	35	48
C[S@@](=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116752	CD	On-Demand	Anodyne	LTA4H	18	40
C[S@@](=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116752	CD	On-Demand	Anodyne	SIGMAR1	56	44
C[S@@](=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116752	CD	On-Demand	Anodyne	CCR5	16	42
C[S@@](=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852116752	CD	On-Demand	Anodyne	CYP2J2	46	32
O=[N+]([O-])c1cc(CN2CCC(NCc3ccccc3)CC2)ccc1Cl	ZINC000852116755	FI	On-Demand	Bother	DRD2	17	41
O=[N+]([O-])c1cc(CN2CCC(NCc3ccccc3)CC2)ccc1Cl	ZINC000852116755	FI	On-Demand	Bother	DRD4	49	45
O=[N+]([O-])c1cc(CN2CCC(NCc3ccccc3)CC2)ccc1Cl	ZINC000852116755	FI	On-Demand	Bother	ACHE	46	45
O=[N+]([O-])c1cc(CN2CCC(NCc3ccccc3)CC2)ccc1Cl	ZINC000852116755	FI	On-Demand	Bother	SIGMAR1	53	53
O=[N+]([O-])c1cc(CN2CCC(NCc3ccccc3)CC2)ccc1Cl	ZINC000852116755	FI	On-Demand	Bother	SSTR5	42	38
O=[N+]([O-])c1cc(CN2CCC(NCc3ccccc3)CC2)ccc1Cl	ZINC000852116755	FI	On-Demand	Bother	CCR3	26	56
O=[N+]([O-])c1cc(CN2CCC(NCc3ccccc3)CC2)ccc1Cl	ZINC000852116755	FI	On-Demand	Bother	MCHR1	30	48
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccn1	ZINC000852116768	DE	On-Demand	Anodyne	DRD4	17	42
O[C@@H](CN1CCC(NCc2ccccc2)CC1)c1ccccn1	ZINC000852116768	DE	On-Demand	Anodyne	GRIN2B	15	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccn1	ZINC000852116769	DE	On-Demand	Anodyne	DRD4	17	42
O[C@H](CN1CCC(NCc2ccccc2)CC1)c1ccccn1	ZINC000852116769	DE	On-Demand	Anodyne	GRIN2B	15	42
C=C(CBr)CN1CCC(NCc2ccccc2)CC1	ZINC000852116782	DG	On-Demand	Reactive	DRD4	19	47
C=C(CBr)CN1CCC(NCc2ccccc2)CC1	ZINC000852116782	DG	On-Demand	Reactive	GRIN2B	17	47
C=C(CBr)CN1CCC(NCc2ccccc2)CC1	ZINC000852116782	DG	On-Demand	Reactive	SIGMAR1	29	41
C[C@@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116783	CE	On-Demand	Mild	DRD4	20	41
C[C@@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116783	CE	On-Demand	Mild	SLC6A4	19	51
C[C@@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116783	CE	On-Demand	Mild	SLC6A3	45	46
C[C@@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116783	CE	On-Demand	Mild	LTA4H	22	41
C[C@@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116783	CE	On-Demand	Mild	SIGMAR1	38	44
C[C@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116784	CE	On-Demand	Mild	DRD4	20	41
C[C@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116784	CE	On-Demand	Mild	SLC6A4	19	51
C[C@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116784	CE	On-Demand	Mild	SLC6A3	45	46
C[C@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116784	CE	On-Demand	Mild	LTA4H	22	41
C[C@H](C#N)OCCN1CCC(NCc2ccccc2)CC1	ZINC000852116784	CE	On-Demand	Mild	SIGMAR1	38	44
C[S@@](=O)CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852116791	FD	On-Demand	Anodyne	NPFFR1	42	39
C[S@@](=O)CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852116794	FD	On-Demand	Anodyne	NPFFR1	42	39
O=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852116831	FF	On-Demand	Anodyne	EPHX2	24	43
O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852116832	FF	On-Demand	Anodyne	EPHX2	24	43
O=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852116839	GF	On-Demand	Anodyne	SIGMAR1	20	43
O=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852116839	GF	On-Demand	Anodyne	SLC6A5	19	43
O=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852116839	GF	On-Demand	Anodyne	EPHX2	17	49
O=C(NCC[S@@](=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852116840	GF	On-Demand	Anodyne	SIGMAR1	20	43
O=C(NCC[S@@](=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852116840	GF	On-Demand	Anodyne	SLC6A5	19	43
O=C(NCC[S@@](=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852116840	GF	On-Demand	Anodyne	EPHX2	17	49
O=C(NCC[S@](=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852116841	GF	On-Demand	Anodyne	SIGMAR1	20	43
O=C(NCC[S@](=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852116841	GF	On-Demand	Anodyne	SLC6A5	19	43
O=C(NCC[S@](=O)Cc1ccccc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852116841	GF	On-Demand	Anodyne	EPHX2	17	49
O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852116842	GF	On-Demand	Anodyne	SIGMAR1	20	43
O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852116842	GF	On-Demand	Anodyne	SLC6A5	19	43
O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852116842	GF	On-Demand	Anodyne	EPHX2	17	49
O=C(NCC[S@](=O)Cc1ccccc1)NC1CCC(C2CCC2)CC1	ZINC000852116883	FH	On-Demand	Anodyne	EPHX2	16	53
O=C(NCC[S@@](=O)Cc1ccccc1)NC1CCC(C2CCC2)CC1	ZINC000852116884	FH	On-Demand	Anodyne	EPHX2	16	53
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	CHRM2	21	44
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	CHRM1	16	44
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	DRD2	27	50
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	DRD4	53	49
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	ACHE	52	46
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	HRH2	24	41
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	DRD3	16	45
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	KCNH2	17	40
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	CHRM3	37	44
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	LTA4H	17	42
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	TACR1	15	44
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	SIGMAR1	52	52
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	SSTR5	58	37
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	BCHE	15	42
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	CCR3	47	57
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	CCR2	38	46
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	SLC6A5	27	43
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	MCHR1	63	48
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	CACNA1G	35	41
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	CACNA1I	15	42
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	CCR8	23	42
O=C(c1cccc(CN2CCC(NCc3ccccc3)CC2)c1)C(F)(F)F	ZINC000852116911	GI	On-Demand	Anodyne	SFRP1	46	34
Cn1nc(C(F)(F)F)c(CN2CCC(NCc3ccccc3)CC2)c1Cl	ZINC000852117000	GH	On-Demand	Anodyne	DRD4	28	44
Cn1nc(C(F)(F)F)c(CN2CCC(NCc3ccccc3)CC2)c1Cl	ZINC000852117000	GH	On-Demand	Anodyne	SIGMAR1	33	45
CC(=O)c1ccc(N2CCN(C(=O)CNC3(CCO)CCCC3)CC2)c(F)c1	ZINC000852117008	GD	On-Demand	Anodyne	NPY2R	56	36
CC(=O)c1ccc(N2CCN(C(=O)CNC3(CCO)CCCC3)CC2)c(F)c1	ZINC000852117008	GD	On-Demand	Anodyne	SLC6A9	20	46
FC(F)(F)c1cncc(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117012	EH	On-Demand	Anodyne	DRD4	34	47
FC(F)(F)c1cncc(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117012	EH	On-Demand	Anodyne	ACHE	36	45
FC(F)(F)c1cncc(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117012	EH	On-Demand	Anodyne	TACR1	35	46
FC(F)(F)c1cncc(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117012	EH	On-Demand	Anodyne	SIGMAR1	40	53
FC(F)(F)c1cncc(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117012	EH	On-Demand	Anodyne	SSTR5	46	37
FC(F)(F)c1cncc(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117012	EH	On-Demand	Anodyne	CCR2	30	41
FC(F)(F)c1cncc(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117012	EH	On-Demand	Anodyne	SLC6A5	17	42
FC(F)(F)c1cncc(CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117012	EH	On-Demand	Anodyne	MCHR1	26	40
C[S@@](=O)CCNC(=O)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852117029	FF	On-Demand	Anodyne	BDKRB1	47	35
C[S@@](=O)CCNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852117032	FF	On-Demand	Anodyne	BDKRB1	47	35
O=C(NCCCC1CCC1)NCC[S@@](=O)Cc1ccccc1	ZINC000852117036	DF	On-Demand	Anodyne	CCR3	22	41
O=C(NCCCC1CCC1)NCC[S@](=O)Cc1ccccc1	ZINC000852117037	DF	On-Demand	Anodyne	CCR3	22	41
CC(C)(C)N1CC[C@H](NC(=O)NCC[S@](=O)Cc2ccccc2)C1	ZINC000852117050	FE	On-Demand	Anodyne	EPHX2	19	43
C[S@@](=O)CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852117058	ED	On-Demand	Anodyne	SCD1	18	41
C[S@@](=O)CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852117058	ED	On-Demand	Anodyne	SCD	28	41
C[S@@](=O)CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852117058	ED	On-Demand	Anodyne	TRPM8	28	53
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	DRD2	15	44
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	DRD4	25	45
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	SIGMAR1	38	41
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	CACNA1B	23	46
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	CCR3	27	40
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	CCR5	45	38
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	CCR8	32	41
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	SFRP1	60	42
CC(C)(C)OC(=O)N1CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117060	FG	On-Demand	Anodyne	WNT3	42	35
c1ccc(CNC2CCN(Cc3cn(Cc4ccccc4)nn3)CC2)cc1	ZINC000852117065	FG	On-Demand	Anodyne	DRD4	43	55
c1ccc(CNC2CCN(Cc3cn(Cc4ccccc4)nn3)CC2)cc1	ZINC000852117065	FG	On-Demand	Anodyne	ACHE	40	43
c1ccc(CNC2CCN(Cc3cn(Cc4ccccc4)nn3)CC2)cc1	ZINC000852117065	FG	On-Demand	Anodyne	SIGMAR1	53	48
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000852117066	FG	On-Demand	Bother	DRD4	24	45
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000852117066	FG	On-Demand	Bother	ACHE	18	49
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000852117066	FG	On-Demand	Bother	SIGMAR1	32	55
FCCN1CCC(NCc2ccccc2)CC1	ZINC000852117067	BE	On-Demand	Anodyne	DRD2	19	45
FCCN1CCC(NCc2ccccc2)CC1	ZINC000852117067	BE	On-Demand	Anodyne	DRD4	31	47
FCCN1CCC(NCc2ccccc2)CC1	ZINC000852117067	BE	On-Demand	Anodyne	ACHE	19	44
FCCN1CCC(NCc2ccccc2)CC1	ZINC000852117067	BE	On-Demand	Anodyne	SLC6A3	19	44
FCCN1CCC(NCc2ccccc2)CC1	ZINC000852117067	BE	On-Demand	Anodyne	GRIN2B	30	53
FCCN1CCC(NCc2ccccc2)CC1	ZINC000852117067	BE	On-Demand	Anodyne	SIGMAR1	68	45
c1ccc(CNC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1	ZINC000852117072	EG	On-Demand	Anodyne	DRD4	20	44
c1ccc(CNC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1	ZINC000852117072	EG	On-Demand	Anodyne	SIGMAR1	27	40
c1ccc(CNC2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1	ZINC000852117072	EG	On-Demand	Anodyne	NOS2	54	36
Fc1cccc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852117075	CF	On-Demand	Anodyne	DRD4	32	53
Fc1cccc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852117075	CF	On-Demand	Anodyne	SIGMAR1	38	44
Fc1cccc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852117075	CF	On-Demand	Anodyne	CCR3	15	60
Fc1cccc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852117075	CF	On-Demand	Anodyne	SCN5A	40	38
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852117083	GD	On-Demand	Anodyne	DRD4	18	41
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852117083	GD	On-Demand	Anodyne	SIGMAR1	28	41
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852117083	GD	On-Demand	Anodyne	CCR5	27	41
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852117083	GD	On-Demand	Anodyne	SFRP1	85	39
CC(C)(C)OC(=O)CS(=O)(=O)CCN1CCC(NCc2ccccc2)CC1	ZINC000852117083	GD	On-Demand	Anodyne	WNT3	52	33
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA2	83	52
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	DRD2	15	48
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	DRD4	19	45
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	HTR2A	16	53
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	GRIN2B	16	42
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA6	19	42
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA1	78	52
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA7	49	45
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	HRH3	16	47
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	SIGMAR1	55	52
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CCR5	23	44
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA13	29	42
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA5B	44	45
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA4	51	45
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA5A	45	45
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA14	31	42
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA12	56	52
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA9	71	52
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CAH_METTE	28	42
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	NCE103	22	42
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	CA15	19	42
NS(=O)(=O)c1ccc(CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117093	FE	On-Demand	Anodyne	P96878_MYCTU	17	41
C[S@@](=O)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852117095	DC	On-Demand	Anodyne	TRPV1	15	40
C[S@@](=O)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852117095	DC	On-Demand	Anodyne	SCN2A	18	45
C[S@@](=O)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852117095	DC	On-Demand	Anodyne	SCN10A	20	45
CC(C)(C)N1CC[C@@H](NC(=O)NCC[S@](=O)Cc2ccccc2)C1	ZINC000852117099	FE	On-Demand	Anodyne	EPHX2	19	43
CC(C)(C)N1CC[C@H](NC(=O)NCC[S@@](=O)Cc2ccccc2)C1	ZINC000852117100	FE	On-Demand	Anodyne	EPHX2	19	43
CC(C)(C)N1CC[C@@H](NC(=O)NCC[S@@](=O)Cc2ccccc2)C1	ZINC000852117101	FE	On-Demand	Anodyne	EPHX2	19	43
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	HTR1A	25	40
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	DRD2	42	44
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	DRD4	39	45
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	ADRA1D	40	46
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	HTR2A	41	44
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	HTR2C	24	40
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	SLC6A4	16	40
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	ADRA1A	64	46
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	ADRA1B	46	46
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	DRD3	46	42
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	GRIN2B	23	40
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	SIGMAR1	50	44
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	BCHE	20	40
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	CCR3	39	53
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	CCR5	23	41
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	CCR2	30	41
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	MCHR1	35	43
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	CACNA1G	34	41
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	CYP2J2	49	34
O=C(NCCCN1CCC(NCc2ccccc2)CC1)C(F)(F)F	ZINC000852117170	EE	On-Demand	Anodyne	SFRP1	33	41
FC(F)(F)c1nc(Cl)ccc1CN1CCC(NCc2ccccc2)CC1	ZINC000852117180	GJ	On-Demand	Anodyne	DRD4	30	47
FC(F)(F)c1nc(Cl)ccc1CN1CCC(NCc2ccccc2)CC1	ZINC000852117180	GJ	On-Demand	Anodyne	ACHE	29	40
FC(F)(F)c1nc(Cl)ccc1CN1CCC(NCc2ccccc2)CC1	ZINC000852117180	GJ	On-Demand	Anodyne	SIGMAR1	36	49
COC(=O)c1nc(CNC(=O)N[C@@H](CCN(C)C)C(C)(C)C)ccc1Cl	ZINC000852117185	GF	On-Demand	Anodyne	UTS2	42	36
COC(=O)c1nc(CNC(=O)N[C@H](CCN(C)C)C(C)(C)C)ccc1Cl	ZINC000852117187	GF	On-Demand	Anodyne	UTS2	42	36
Cn1ncc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852117215	CD	On-Demand	Anodyne	DRD4	32	49
Cn1ncc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852117215	CD	On-Demand	Anodyne	ACHE	26	40
Cn1ncc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852117215	CD	On-Demand	Anodyne	SIGMAR1	37	45
Cn1ncc(CN2CCC(NCc3ccccc3)CC2)n1	ZINC000852117215	CD	On-Demand	Anodyne	SCN5A	41	36
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	DRD2	21	41
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	DRD4	30	51
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	ACHE	24	40
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	GRIN2B	44	43
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	LTA4H	24	40
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	HRH3	17	47
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	SIGMAR1	50	48
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	PRCP	23	40
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	CCR3	20	45
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	CCR5	34	42
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	C3AR1	41	40
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	PREP	75	45
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	DPP7	42	39
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	CACNA1G	43	38
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	CCR8	44	35
O=C(CCN1CCC(NCc2ccccc2)CC1)N1CCCC1	ZINC000852117221	DE	On-Demand	Anodyne	CYP2J2	46	32
C[S@@](=O)CCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852117223	DE	On-Demand	Anodyne	DNAE	51	39
O=S1(=O)N=C(CN2CCC(NCc3ccccc3)CC2)c2ccccc21	ZINC000852117238	FE	On-Demand	Anodyne	DRD4	25	45
O=S1(=O)N=C(CN2CCC(NCc3ccccc3)CC2)c2ccccc21	ZINC000852117238	FE	On-Demand	Anodyne	SIGMAR1	33	46
C[S@@](=O)CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852117239	DC	On-Demand	Anodyne	DRD2	18	46
C[S@@](=O)CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852117239	DC	On-Demand	Anodyne	SIGMAR1	27	43
C[S@@](=O)CCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852117241	DC	On-Demand	Anodyne	DRD2	18	46
C[S@@](=O)CCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852117241	DC	On-Demand	Anodyne	SIGMAR1	27	43
CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCC(NCc2ccccc2)CC1	ZINC000852117249	GF	On-Demand	Anodyne	DRD4	23	42
CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCC(NCc2ccccc2)CC1	ZINC000852117249	GF	On-Demand	Anodyne	SIGMAR1	23	45
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCC(NCc2ccccc2)CC1	ZINC000852117250	GF	On-Demand	Anodyne	DRD4	23	42
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCC(NCc2ccccc2)CC1	ZINC000852117250	GF	On-Demand	Anodyne	SIGMAR1	23	45
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)C1CC1	ZINC000852117277	EC	On-Demand	Reactive	DRD4	34	48
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)C1CC1	ZINC000852117277	EC	On-Demand	Reactive	GRIN2B	33	43
O=C(CN1CCC(NCc2ccccc2)CC1)NNC(=O)C1CC1	ZINC000852117277	EC	On-Demand	Reactive	SIGMAR1	32	51
NC(=O)[C@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117278	FD	On-Demand	Anodyne	CHRM2	26	46
NC(=O)[C@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117278	FD	On-Demand	Anodyne	CHRM1	26	46
NC(=O)[C@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117278	FD	On-Demand	Anodyne	DRD4	25	48
NC(=O)[C@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117278	FD	On-Demand	Anodyne	CHRM3	42	46
NC(=O)[C@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117278	FD	On-Demand	Anodyne	GRIN2B	25	43
NC(=O)[C@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117278	FD	On-Demand	Anodyne	SIGMAR1	31	44
NC(=O)[C@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117278	FD	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117279	FD	On-Demand	Anodyne	CHRM2	26	46
NC(=O)[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117279	FD	On-Demand	Anodyne	CHRM1	26	46
NC(=O)[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117279	FD	On-Demand	Anodyne	DRD4	25	48
NC(=O)[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117279	FD	On-Demand	Anodyne	CHRM3	42	46
NC(=O)[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117279	FD	On-Demand	Anodyne	GRIN2B	25	43
NC(=O)[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117279	FD	On-Demand	Anodyne	SIGMAR1	31	44
NC(=O)[C@@](O)(CN1CCC(NCc2ccccc2)CC1)c1ccccc1	ZINC000852117279	FD	On-Demand	Anodyne	CYP2J2	49	34
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1F	ZINC000852117292	EG	On-Demand	Bother	DRD4	37	43
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1F	ZINC000852117292	EG	On-Demand	Bother	ACHE	33	43
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1F	ZINC000852117292	EG	On-Demand	Bother	SIGMAR1	49	53
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1F	ZINC000852117292	EG	On-Demand	Bother	SSTR5	43	36
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1F	ZINC000852117292	EG	On-Demand	Bother	CCR3	26	62
O=[N+]([O-])c1ccc(CN2CCC(NCc3ccccc3)CC2)cc1F	ZINC000852117292	EG	On-Demand	Bother	MCHR1	32	43
Brc1cc(CN2CCC(NCc3ccccc3)CC2)ccn1	ZINC000852117298	FH	On-Demand	Anodyne	DRD2	15	45
Brc1cc(CN2CCC(NCc3ccccc3)CC2)ccn1	ZINC000852117298	FH	On-Demand	Anodyne	DRD4	44	49
Brc1cc(CN2CCC(NCc3ccccc3)CC2)ccn1	ZINC000852117298	FH	On-Demand	Anodyne	ACHE	39	40
Brc1cc(CN2CCC(NCc3ccccc3)CC2)ccn1	ZINC000852117298	FH	On-Demand	Anodyne	SIGMAR1	53	45
Brc1cc(CN2CCC(NCc3ccccc3)CC2)ccn1	ZINC000852117298	FH	On-Demand	Anodyne	SSTR5	64	36
Brc1cc(CN2CCC(NCc3ccccc3)CC2)ccn1	ZINC000852117298	FH	On-Demand	Anodyne	CCR3	15	59
Brc1cc(CN2CCC(NCc3ccccc3)CC2)ccn1	ZINC000852117298	FH	On-Demand	Anodyne	MCHR1	20	40
FC(F)(Br)CN1CCC(NCc2ccccc2)CC1	ZINC000852117310	EG	On-Demand	Anodyne	DRD4	20	45
FC(F)(Br)CN1CCC(NCc2ccccc2)CC1	ZINC000852117310	EG	On-Demand	Anodyne	SIGMAR1	34	43
O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117317	FF	On-Demand	Bother	CACNA1C	40	36
O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117317	FF	On-Demand	Bother	SIGMAR1	20	52
O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117317	FF	On-Demand	Bother	CACNA1D	56	36
O=[N+]([O-])c1cccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117319	FF	On-Demand	Bother	CACNA1C	40	36
O=[N+]([O-])c1cccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117319	FF	On-Demand	Bother	SIGMAR1	20	52
O=[N+]([O-])c1cccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)c1	ZINC000852117319	FF	On-Demand	Bother	CACNA1D	56	36
CN(Cc1cnc[nH]1)C(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117323	DD	On-Demand	Anodyne	TAAR1	23	41
CN(Cc1cnc[nH]1)C(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117325	DD	On-Demand	Anodyne	TAAR1	23	41
O=C(NCC[S@@](=O)Cc1ccccc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852117342	GE	On-Demand	Anodyne	CCR3	74	39
O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117343	FF	On-Demand	Bother	SIGMAR1	22	52
O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117343	FF	On-Demand	Bother	KCNJ1	21	40
O=C(NCC[S@](=O)Cc1ccccc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852117344	GE	On-Demand	Anodyne	CCR3	74	39
O=[N+]([O-])c1ccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117345	FF	On-Demand	Bother	SIGMAR1	22	52
O=[N+]([O-])c1ccc([C@H](O)CN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117345	FF	On-Demand	Bother	KCNJ1	21	40
O=C(NCC[S@@](=O)Cc1ccccc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852117346	GE	On-Demand	Anodyne	CCR3	74	39
O=C(NCC[S@](=O)Cc1ccccc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852117348	GE	On-Demand	Anodyne	CCR3	74	39
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@@](=O)Cc2ccccc2)C1	ZINC000852117369	GF	On-Demand	Anodyne	OPRD1	17	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@@](=O)Cc2ccccc2)C1	ZINC000852117369	GF	On-Demand	Anodyne	CCR5	37	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@](=O)Cc2ccccc2)C1	ZINC000852117370	GF	On-Demand	Anodyne	OPRD1	17	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@](=O)Cc2ccccc2)C1	ZINC000852117370	GF	On-Demand	Anodyne	CCR5	37	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@](=O)Cc2ccccc2)C1	ZINC000852117371	GF	On-Demand	Anodyne	OPRD1	17	42
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@](=O)Cc2ccccc2)C1	ZINC000852117371	GF	On-Demand	Anodyne	CCR5	37	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@@](=O)Cc2ccccc2)C1	ZINC000852117372	GF	On-Demand	Anodyne	OPRD1	17	42
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@@](=O)Cc2ccccc2)C1	ZINC000852117372	GF	On-Demand	Anodyne	CCR5	37	40
O=C(NCC[S@@](=O)Cc1ccccc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852117416	FG	On-Demand	Anodyne	CCR3	23	41
O=C(NCC[S@](=O)Cc1ccccc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852117418	FG	On-Demand	Anodyne	CCR3	23	41
O=C(NCC[S@](=O)Cc1ccccc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852117419	FG	On-Demand	Anodyne	CCR3	23	41
O=C(NCC[S@@](=O)Cc1ccccc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852117420	FG	On-Demand	Anodyne	CCR3	23	41
c1ccc(CNC2CCN(Cc3cnsn3)CC2)cc1	ZINC000852117432	CE	On-Demand	Anodyne	DRD4	29	54
c1ccc(CNC2CCN(Cc3cnsn3)CC2)cc1	ZINC000852117432	CE	On-Demand	Anodyne	SIGMAR1	36	47
c1ccc(CNC2CCN(CC3OCCO3)CC2)cc1	ZINC000852117435	CD	On-Demand	Anodyne	DRD4	29	47
c1ccc(CNC2CCN(CC3OCCO3)CC2)cc1	ZINC000852117435	CD	On-Demand	Anodyne	SLC6A3	15	43
c1ccc(CNC2CCN(CC3OCCO3)CC2)cc1	ZINC000852117435	CD	On-Demand	Anodyne	SIGMAR1	44	43
C[S@@](=O)CCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852117439	EE	On-Demand	Anodyne	P2RY14	45	37
C[S@@](=O)CCNC(=O)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852117442	EE	On-Demand	Anodyne	PNMT	15	45
CN(C)c1ccc(NC(=O)CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117449	GG	On-Demand	Anodyne	DRD4	23	42
CN(C)c1ccc(NC(=O)CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117449	GG	On-Demand	Anodyne	ACHE	17	47
CN(C)c1ccc(NC(=O)CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117449	GG	On-Demand	Anodyne	LTA4H	44	42
CN(C)c1ccc(NC(=O)CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117449	GG	On-Demand	Anodyne	SIGMAR1	28	44
CN(C)c1ccc(NC(=O)CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117449	GG	On-Demand	Anodyne	PRCP	21	41
CN(C)c1ccc(NC(=O)CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117449	GG	On-Demand	Anodyne	CCR3	22	40
CN(C)c1ccc(NC(=O)CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117449	GG	On-Demand	Anodyne	CCR5	29	42
CN(C)c1ccc(NC(=O)CCN2CCC(NCc3ccccc3)CC2)cc1	ZINC000852117449	GG	On-Demand	Anodyne	CYP2J2	46	32
O=C(CN1CCC(NCc2ccccc2)CC1)NOCc1ccccc1	ZINC000852117454	FE	On-Demand	Anodyne	DRD4	34	47
O=C(CN1CCC(NCc2ccccc2)CC1)NOCc1ccccc1	ZINC000852117454	FE	On-Demand	Anodyne	GRIN2B	42	43
O=C(CN1CCC(NCc2ccccc2)CC1)NOCc1ccccc1	ZINC000852117454	FE	On-Demand	Anodyne	SIGMAR1	34	46
O=C(CN1CCC(NCc2ccccc2)CC1)NOCc1ccccc1	ZINC000852117454	FE	On-Demand	Anodyne	PREP	32	41
O=C(CN1CCC(NCc2ccccc2)CC1)NOCc1ccccc1	ZINC000852117454	FE	On-Demand	Anodyne	BIRC2	15	40
FC1(F)CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117455	CG	On-Demand	Anodyne	SLC6A3	16	41
FC1(F)CC(CN2CCC(NCc3ccccc3)CC2)C1	ZINC000852117455	CG	On-Demand	Anodyne	SIGMAR1	41	42
CCO[C@@H]1C[C@@H](NC(=O)NCC[S@](=O)Cc2ccccc2)C1	ZINC000852117723	DD	On-Demand	Anodyne	TIMP3	58	35
CCO[C@@H]1C[C@@H](NC(=O)NCC[S@](=O)Cc2ccccc2)C1	ZINC000852117723	DD	On-Demand	Anodyne	EPHX2	15	42
CCO[C@@H]1C[C@@H](NC(=O)NCC[S@@](=O)Cc2ccccc2)C1	ZINC000852117724	DD	On-Demand	Anodyne	TIMP3	58	35
CCO[C@@H]1C[C@@H](NC(=O)NCC[S@@](=O)Cc2ccccc2)C1	ZINC000852117724	DD	On-Demand	Anodyne	EPHX2	15	42
C[C@@H](NC(=O)NCC[S@@](=O)Cc1ccccc1)C1CCC(F)CC1	ZINC000852117750	FG	On-Demand	Anodyne	NPR	50	32
C[C@@H](NC(=O)NCC[S@](=O)Cc1ccccc1)C1CCC(F)CC1	ZINC000852117751	FG	On-Demand	Anodyne	NPR	50	32
O=C(NCC[S@@](=O)Cc1ccccc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852117760	GF	On-Demand	Anodyne	SIGMAR1	22	42
O=C(NCC[S@](=O)Cc1ccccc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852117761	GF	On-Demand	Anodyne	SIGMAR1	22	42
O=C(NCC[S@](=O)Cc1ccccc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852117762	GF	On-Demand	Anodyne	SIGMAR1	22	42
O=C(NCC[S@@](=O)Cc1ccccc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852117763	GF	On-Demand	Anodyne	SIGMAR1	22	42
O=C(NCC[S@@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117766	GE	On-Demand	Anodyne	DRD4	17	41
O=C(NCC[S@@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117766	GE	On-Demand	Anodyne	ACHE	28	44
O=C(NCC[S@@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117766	GE	On-Demand	Anodyne	HRH1	20	40
O=C(NCC[S@@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117766	GE	On-Demand	Anodyne	HTR4	57	40
O=C(NCC[S@@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117766	GE	On-Demand	Anodyne	GRIN2B	50	38
O=C(NCC[S@@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117766	GE	On-Demand	Anodyne	SIGMAR1	42	44
O=C(NCC[S@@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117766	GE	On-Demand	Anodyne	CCR3	56	45
O=C(NCC[S@@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117766	GE	On-Demand	Anodyne	CACNA1I	65	38
O=C(NCC[S@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117767	GE	On-Demand	Anodyne	DRD4	17	41
O=C(NCC[S@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117767	GE	On-Demand	Anodyne	ACHE	28	44
O=C(NCC[S@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117767	GE	On-Demand	Anodyne	HRH1	20	40
O=C(NCC[S@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117767	GE	On-Demand	Anodyne	HTR4	57	40
O=C(NCC[S@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117767	GE	On-Demand	Anodyne	GRIN2B	50	38
O=C(NCC[S@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117767	GE	On-Demand	Anodyne	SIGMAR1	42	44
O=C(NCC[S@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117767	GE	On-Demand	Anodyne	CCR3	56	45
O=C(NCC[S@](=O)Cc1ccccc1)NCC1CCN(CC2CC2)CC1	ZINC000852117767	GE	On-Demand	Anodyne	CACNA1I	65	38
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	MME	67	36
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	ANPEP	48	41
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	PAPA1_CARPA	40	37
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	CAPNS1	52	34
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	CAPN1	46	35
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	CAPN2	73	34
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	ACE2	43	34
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	FPR1	64	43
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117837	DG	On-Demand	Anodyne	NPR	76	33
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	MME	67	36
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	ANPEP	48	41
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	PAPA1_CARPA	40	37
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	CAPNS1	52	34
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	CAPN1	46	35
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	CAPN2	73	34
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	ACE2	43	34
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	FPR1	64	43
CCC(C)(C)[C@@H](C)NC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117839	DG	On-Demand	Anodyne	NPR	76	33
O=C(CNC1(CCO)CCCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852117842	EH	On-Demand	Anodyne	SLC1A2	29	43
O=C(CCNC1(CCO)CCCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852117859	FE	On-Demand	Anodyne	STAT6	53	32
C=CC[C@@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852117966	GI	On-Demand	Mild	GPR119	25	41
C=CC[C@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852117967	GI	On-Demand	Mild	GPR119	25	41
C=CC[C@@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852117968	GI	On-Demand	Mild	GPR119	25	41
C=CC[C@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852117969	GI	On-Demand	Mild	GPR119	25	41
COc1ccc2c(CNC3(CCO)CCCC3)cc(=O)oc2c1	ZINC000852117986	DF	On-Demand	Anodyne	MAOA	48	35
COc1ccc2c(CNC3(CCO)CCCC3)cc(=O)oc2c1	ZINC000852117986	DF	On-Demand	Anodyne	MAOB	32	44
CC[C@@H](C)CCNC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117997	DF	On-Demand	Anodyne	CAPN2	46	32
CC[C@@H](C)CCNC(=O)NCC[S@@](=O)Cc1ccccc1	ZINC000852117997	DF	On-Demand	Anodyne	NPR	48	35
CC[C@@H](C)CCNC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117999	DF	On-Demand	Anodyne	CAPN2	46	32
CC[C@@H](C)CCNC(=O)NCC[S@](=O)Cc1ccccc1	ZINC000852117999	DF	On-Demand	Anodyne	NPR	48	35
C[S@@](=O)CCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852118031	ED	On-Demand	Anodyne	CACNA1I	46	35
O=c1cc(CNC2(CCO)CCCC2)c2ccc(O)cc2o1	ZINC000852118039	DE	On-Demand	Anodyne	HSD17B3	38	52
C[S@@](=O)CCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852118083	ED	On-Demand	Anodyne	CACNA1I	46	35
O=C(CNC1(CCO)CCCC1)Nc1cccnc1Cl	ZINC000852118100	CD	On-Demand	Anodyne	G2YM83_BOTF4	75	38
O=C(CNC1(CCO)CCCC1)Nc1ccc2ccccc2c1	ZINC000852118181	DG	On-Demand	Anodyne	IMDH_CRYPV	16	40
O=C(NCC1SCCS1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118188	GF	On-Demand	Anodyne	ADRA1D	17	41
O=C(NCC1SCCS1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118189	GF	On-Demand	Anodyne	ADRA1D	17	41
COc1ccc(N2CC[C@H](NC(=O)NCC[S@@](C)=O)C2)cc1	ZINC000852118519	EC	On-Demand	Clean	MTNR1A	16	47
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118524	GD	On-Demand	Anodyne	DRD2	28	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118524	GD	On-Demand	Anodyne	ADRA1D	37	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118524	GD	On-Demand	Anodyne	ADRA1A	30	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118524	GD	On-Demand	Anodyne	ADRA1B	22	40
COc1ccc(N2CC[C@H](NC(=O)NCC[S@](C)=O)C2)cc1	ZINC000852118525	EC	On-Demand	Clean	MTNR1A	16	47
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118526	GD	On-Demand	Anodyne	DRD2	28	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118526	GD	On-Demand	Anodyne	ADRA1D	37	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118526	GD	On-Demand	Anodyne	ADRA1A	30	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118526	GD	On-Demand	Anodyne	ADRA1B	22	40
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118537	GG	On-Demand	Reactive	ADRA1D	21	40
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118537	GG	On-Demand	Reactive	ADRA1A	15	40
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118537	GG	On-Demand	Reactive	ADRA1B	16	40
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118538	GG	On-Demand	Reactive	ADRA1D	21	40
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118538	GG	On-Demand	Reactive	ADRA1A	15	40
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852118538	GG	On-Demand	Reactive	ADRA1B	16	40
O=C(CNC1(CCO)CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852118644	GD	On-Demand	Bother	SSTR1	44	45
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)CCC2	ZINC000852118664	GF	On-Demand	Anodyne	NQO2	21	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCC[S@](=O)C(C)(C)C)CCC2	ZINC000852118665	GF	On-Demand	Anodyne	NQO2	21	41
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCC[S@](=O)C(C)(C)C)CCC2	ZINC000852118666	GF	On-Demand	Anodyne	NQO2	21	41
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCC[S@@](=O)C(C)(C)C)CCC2	ZINC000852118667	GF	On-Demand	Anodyne	NQO2	21	41
O=C(CNC1(CCO)CCCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852118690	ED	On-Demand	Anodyne	STAT6	53	33
COC(=O)c1ccc(CNC(=O)NCC[S@](=O)C(C)(C)C)c(F)c1	ZINC000852118878	FD	On-Demand	Anodyne	BDKRB1	25	40
COC(=O)c1ccc(CNC(=O)NCC[S@@](=O)C(C)(C)C)c(F)c1	ZINC000852118879	FD	On-Demand	Anodyne	BDKRB1	25	40
O=C(CNC1(CCO)CCCC1)OCc1ccccc1	ZINC000852118881	CE	On-Demand	Anodyne	SLC12A5	70	39
CCOC(=O)C1=C(CNC2(CCO)CCCC2)NC(=O)N[C@H]1c1ccco1	ZINC000852118955	GD	On-Demand	Anodyne	SLC27A4	41	30
CCOC(=O)C1=C(CNC2(CCO)CCCC2)NC(=O)N[C@@H]1c1ccco1	ZINC000852118956	GD	On-Demand	Anodyne	SLC27A4	41	30
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@](=O)C(C)(C)C)C1	ZINC000852118969	FE	On-Demand	Anodyne	SFRP1	73	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@](=O)C(C)(C)C)C1	ZINC000852118969	FE	On-Demand	Anodyne	WNT3	47	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@](=O)C(C)(C)C)C1	ZINC000852118970	FE	On-Demand	Anodyne	SFRP1	73	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@](=O)C(C)(C)C)C1	ZINC000852118970	FE	On-Demand	Anodyne	WNT3	47	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1	ZINC000852118971	FE	On-Demand	Anodyne	SFRP1	73	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1	ZINC000852118971	FE	On-Demand	Anodyne	WNT3	47	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1	ZINC000852118972	FE	On-Demand	Anodyne	SFRP1	73	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1	ZINC000852118972	FE	On-Demand	Anodyne	WNT3	47	36
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852119081	FE	On-Demand	Anodyne	ADRA1D	26	44
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852119081	FE	On-Demand	Anodyne	ADRA1A	20	44
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852119081	FE	On-Demand	Anodyne	ADRA1B	16	44
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852119082	FE	On-Demand	Anodyne	ADRA1D	26	44
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852119082	FE	On-Demand	Anodyne	ADRA1A	20	44
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1	ZINC000852119082	FE	On-Demand	Anodyne	ADRA1B	16	44
C#C[C@H](NC(=O)NCCCc1ccc(C(C)C)cc1)C1CCOCC1	ZINC000852119089	EG	On-Demand	Mild	MMP2	58	33
C#C[C@@H](NC(=O)NCCCc1ccc(C(C)C)cc1)C1CCOCC1	ZINC000852119090	EG	On-Demand	Mild	MMP2	58	33
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCC[S@@](=O)C(C)(C)C	ZINC000852119106	GG	On-Demand	Anodyne	MDM2	50	32
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCC[S@](=O)C(C)(C)C	ZINC000852119107	GG	On-Demand	Anodyne	MDM2	50	32
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@](=O)C(C)(C)C)C2)c1	ZINC000852119117	FF	On-Demand	Anodyne	DRD4	45	34
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C2)c1	ZINC000852119119	FF	On-Demand	Anodyne	DRD4	45	34
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CC(N3CCNC3=O)C2)C1	ZINC000852119199	ED	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC(N3CCNC3=O)C2)C1	ZINC000852119200	ED	On-Demand	Anodyne	GPR119	32	41
O=C(NC(C1CCCC1)C1CCCC1)N1CCc2nccnc2C1	ZINC000852119229	EG	On-Demand	Anodyne	MAPK1	40	36
O=C1NCCN1C1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852119230	ED	On-Demand	Anodyne	LUCI_PHOPY	63	46
O=C1NCCN1C1CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852119231	ED	On-Demand	Anodyne	LUCI_PHOPY	63	46
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852119233	GD	On-Demand	Anodyne	CNR2	22	42
O=C(CN1CC(N2CCNC2=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852119238	GB	On-Demand	Bother	SSTR1	51	46
Cc1cccc(C(=O)NNC(=O)CN2CC(N3CCNC3=O)C2)c1	ZINC000852119258	EB	On-Demand	Reactive	KCNK3	48	36
COCCNS(=O)(=O)c1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852119273	GC	On-Demand	Anodyne	NAMPT	43	42
O=C(CNC1(CCO)CCCC1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852119398	FF	On-Demand	Anodyne	CNR2	16	40
O=C1NCCN1C1CN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852119424	DC	On-Demand	Anodyne	HSD17B3	36	49
COc1ccc2c(CN3CC(N4CCNC4=O)C3)cc(=O)oc2c1	ZINC000852119437	ED	On-Demand	Anodyne	CYP19A1	15	52
COc1ccc2c(CN3CC(N4CCNC4=O)C3)cc(=O)oc2c1	ZINC000852119437	ED	On-Demand	Anodyne	CYP11B1	18	44
N#CC[C@@H]1CCCN(C(=O)NCC2Cc3ccccc3C2)C1	ZINC000852119459	CF	On-Demand	Mild	PREP	43	42
N#CC[C@H]1CCCN(C(=O)NCC2Cc3ccccc3C2)C1	ZINC000852119462	CF	On-Demand	Mild	PREP	43	42
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852119463	FC	On-Demand	Anodyne	PIK3CA	41	38
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852119463	FC	On-Demand	Anodyne	MTOR	81	38
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852119463	FC	On-Demand	Anodyne	STAT6	52	32
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc(-n2cncn2)c1	ZINC000852119477	GD	On-Demand	Anodyne	CARM1	52	35
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc(-n2cncn2)c1	ZINC000852119479	GD	On-Demand	Anodyne	CARM1	52	35
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1C=CCC1	ZINC000852119506	ED	On-Demand	Anodyne	DRD4	27	40
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1C=CCC1	ZINC000852119506	ED	On-Demand	Anodyne	P2RX3	25	40
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@H]1C=CCC1	ZINC000852119506	ED	On-Demand	Anodyne	PLD1	45	34
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1C=CCC1	ZINC000852119508	ED	On-Demand	Anodyne	DRD4	27	40
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1C=CCC1	ZINC000852119508	ED	On-Demand	Anodyne	P2RX3	25	40
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N[C@@H]1C=CCC1	ZINC000852119508	ED	On-Demand	Anodyne	PLD1	45	34
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852119538	GD	On-Demand	Reactive	DRD4	29	49
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852119538	GD	On-Demand	Reactive	P2RX3	24	42
CC(=O)Oc1ccc(CN2CC(N3CCNC3=O)C2)cc1	ZINC000852119540	CC	On-Demand	Anodyne	MLNR	40	37
O=C(NCC1CCN(CC2CC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119544	EF	On-Demand	Anodyne	ACHE	19	41
O=C(NCC1CCN(CC2CC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119544	EF	On-Demand	Anodyne	HTR4	63	40
O=C(NCC1CCN(CC2CC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119544	EF	On-Demand	Anodyne	GRIN2B	29	40
O=C(NCC1CCN(CC2CC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119544	EF	On-Demand	Anodyne	SIGMAR1	34	51
O=C(NCC1CCN(CC2CC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119544	EF	On-Demand	Anodyne	CCR3	40	38
O=C(NCC1CCN(CC2CC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119544	EF	On-Demand	Anodyne	CACNA1I	68	39
O=C(NCC1CCN(C2CCOCC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119552	FF	On-Demand	Anodyne	HTR4	42	42
O=C(NCC1CCN(C2CCOCC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119552	FF	On-Demand	Anodyne	GRIN2B	15	40
O=C(NCC1CCN(C2CCOCC2)CC1)NCC1Cc2ccccc2C1	ZINC000852119552	FF	On-Demand	Anodyne	CACNA1I	56	34
O=C(NCC1Cc2ccccc2C1)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852119601	EG	On-Demand	Anodyne	SMO	24	41
O=C(NCC1Cc2ccccc2C1)N1CCC([C@H]2CCCCO2)CC1	ZINC000852119602	EG	On-Demand	Anodyne	SMO	24	41
O=C(NCC1Cc2ccccc2C1)N1CCC(c2ccco2)CC1	ZINC000852119615	DH	On-Demand	Anodyne	SMO	21	41
CC(C)(C)N1CC[C@H]1CNC(=O)NCC1Cc2ccccc2C1	ZINC000852119624	DF	On-Demand	Anodyne	CACNA1I	46	35
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC1SCCS1	ZINC000852119625	GE	On-Demand	Anodyne	HTR1A	16	44
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC1SCCS1	ZINC000852119625	GE	On-Demand	Anodyne	DRD2	15	44
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC1SCCS1	ZINC000852119625	GE	On-Demand	Anodyne	DRD4	26	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NCC1Cc2ccccc2C1	ZINC000852119626	DF	On-Demand	Anodyne	CACNA1I	46	35
O=C1NCCN1C1CN(C[C@H](O)c2ccccc2Cl)C1	ZINC000852119627	CD	On-Demand	Anodyne	OPRL1	42	37
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852119630	FE	On-Demand	Anodyne	CHRNA7	16	45
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852119630	FE	On-Demand	Anodyne	HDAC3	15	40
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852119630	FE	On-Demand	Anodyne	HDAC6	17	40
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852119630	FE	On-Demand	Anodyne	SLC1A2	17	40
CCO[C@@H]1C[C@@H](NC(=O)NCC2Cc3ccccc3C2)C1	ZINC000852119633	CE	On-Demand	Anodyne	ADAM9	40	31
O=C(NCc1ccccc1OC1CCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852119643	FF	On-Demand	Anodyne	EPHX2	21	49
O=C(NCCc1ccc(Br)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852119644	GF	On-Demand	Anodyne	TRAR	18	40
O=C1NCCN1C1CN(Cc2cnc(Cl)s2)C1	ZINC000852119648	CD	On-Demand	Anodyne	NACHRBETA2	21	45
O=C(NCC1Cc2ccccc2C1)N1CCC(c2ccon2)CC1	ZINC000852119660	EF	On-Demand	Anodyne	SMO	37	48
O=C1NCCN1C1CN(Cc2ccc(Cl)nc2)C1	ZINC000852119663	CC	On-Demand	Anodyne	CHRNA3	15	42
O=C1NCCN1C1CN(Cc2ccc(Cl)nc2)C1	ZINC000852119663	CC	On-Demand	Anodyne	CHRNA4	27	47
O=C1NCCN1C1CN(Cc2ccc(Cl)nc2)C1	ZINC000852119663	CC	On-Demand	Anodyne	Q8WSF8_APLCA	42	47
O=C1NCCN1C1CN(Cc2ccc(Cl)nc2)C1	ZINC000852119663	CC	On-Demand	Anodyne	NACHRBETA2	46	47
CC(C)(C)OC(=O)N1CCC(CCCN2CC(N3CCNC3=O)C2)CC1	ZINC000852119695	FE	On-Demand	Anodyne	GPR119	41	46
O=C1NCCN1C1CN(CC[C@H](O)c2ccccc2)C1	ZINC000852119708	CC	On-Demand	Anodyne	SLC6A3	19	50
O=C1NCCN1C1CN(CC[C@@H](O)c2ccccc2)C1	ZINC000852119709	CC	On-Demand	Anodyne	SLC6A3	19	50
CC(C)(C)OC(=O)N1CCC(CCCNC2(CCO)CCCC2)CC1	ZINC000852119723	FH	On-Demand	Anodyne	GPR119	29	48
O=C(NCC1Cc2ccccc2C1)N1CCC[C@@H](CCF)C1	ZINC000852119730	DG	On-Demand	Anodyne	PREP	44	44
O=C(NCC1Cc2ccccc2C1)N1CCC[C@H](CCF)C1	ZINC000852119733	DG	On-Demand	Anodyne	PREP	44	44
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccc(-n2cncn2)c1	ZINC000852119753	GD	On-Demand	Anodyne	CARM1	57	35
COc1cccc(OC)c1CNC(=O)NCC1Cc2ccccc2C1	ZINC000852119767	EF	On-Demand	Anodyne	MTNR1A	23	40
COc1cccc(OC)c1CNC(=O)NCC1Cc2ccccc2C1	ZINC000852119767	EF	On-Demand	Anodyne	MTNR1B	27	40
COc1cccc(OC)c1CNC(=O)NCC1Cc2ccccc2C1	ZINC000852119767	EF	On-Demand	Anodyne	SSTR1	45	35
O=C(CN1CC(N2CCNC2=O)C1)OCc1ccccc1	ZINC000852119773	CC	On-Demand	Anodyne	SLC12A5	52	34
O=C(NCC1Cc2ccccc2C1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852119865	DH	On-Demand	Anodyne	SLC18A3	28	41
O=C(NCC1Cc2ccccc2C1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852119867	DH	On-Demand	Anodyne	SLC18A3	28	41
COC(=O)c1ccc(CNC(=O)NCC2Cc3ccccc3C2)c(F)c1	ZINC000852119903	FF	On-Demand	Anodyne	BDKRB1	27	40
CC(C)(C)OC(=O)N1CCC([C@@H](O)CNC2(CCO)CCCC2)CC1	ZINC000852119921	FE	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@H](O)CNC2(CCO)CCCC2)CC1	ZINC000852119923	FE	On-Demand	Anodyne	GPR119	24	40
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852119965	GB	On-Demand	Reactive	DRD4	26	41
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852119965	GB	On-Demand	Reactive	P2RX3	29	43
O=C(CCN1CC(N2CCNC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852119970	FC	On-Demand	Anodyne	MTOR	47	36
O=C(CCN1CC(N2CCNC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852119970	FC	On-Demand	Anodyne	STAT6	51	31
Cc1ccccc1CNC(=O)[C@@H](C)ON=Cc1cccc(Cl)c1Cl	ZINC000852119986	FI	On-Demand	Mild	AMP1_PLAFQ	19	40
Cc1ccccc1CNC(=O)[C@H](C)ON=Cc1cccc(Cl)c1Cl	ZINC000852119987	FI	On-Demand	Mild	AMP1_PLAFQ	19	40
O=C(CN1CC(N2CCNC2=O)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852119993	FB	On-Demand	Reactive	CACNA1I	21	40
O=C(NCCc1ccnc2ccccc12)NCC1Cc2ccccc2C1	ZINC000852120011	EG	On-Demand	Anodyne	MTNR1A	26	41
O=C(NCCc1ccnc2ccccc12)NCC1Cc2ccccc2C1	ZINC000852120011	EG	On-Demand	Anodyne	MTNR1B	21	41
CS(=O)(=O)C1(CNC(=O)NCC2Cc3ccccc3C2)CCCCC1	ZINC000852120046	FE	On-Demand	Anodyne	HCN1	48	30
CS(=O)(=O)C1(CNC(=O)NCC2Cc3ccccc3C2)CCCCC1	ZINC000852120046	FE	On-Demand	Anodyne	HCN4	47	30
O=C(NCC1Cc2ccccc2C1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852120056	EF	On-Demand	Anodyne	CHRM4	17	51
O=C(NCC1Cc2ccccc2C1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852120056	EF	On-Demand	Anodyne	CCR3	67	38
O=C(NCC1Cc2ccccc2C1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852120057	EF	On-Demand	Anodyne	CHRM4	17	51
O=C(NCC1Cc2ccccc2C1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852120057	EF	On-Demand	Anodyne	CCR3	67	38
COCCN(CCF)C(=O)NCC1Cc2ccccc2C1	ZINC000852120071	CE	On-Demand	Anodyne	ADAM9	41	31
N#Cc1ccc(OCCCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120074	DD	On-Demand	Mild	HRH3	76	55
N#Cc1ccc(OCCCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120074	DD	On-Demand	Mild	MEN1	54	44
O=C(CN1CC(N2CCNC2=O)C1)Nc1cccnc1Cl	ZINC000852120128	DC	On-Demand	Anodyne	G2YM83_BOTF4	67	35
O=C(NCc1ncccn1)NC[C@@H]1CCc2ccccc2C1	ZINC000852120133	CE	On-Demand	Anodyne	PREP	25	40
O=C(NCc1ncccn1)NC[C@H]1CCc2ccccc2C1	ZINC000852120135	CE	On-Demand	Anodyne	PREP	25	40
O=C(CNC1(CCO)CCCC1)NOCc1ccccc1	ZINC000852120168	CD	On-Demand	Anodyne	SLC12A5	58	38
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120188	GC	On-Demand	Anodyne	HTR1A	25	44
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120188	GC	On-Demand	Anodyne	DRD2	17	43
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120188	GC	On-Demand	Anodyne	DRD4	33	44
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120188	GC	On-Demand	Anodyne	DRD3	15	43
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120189	GC	On-Demand	Anodyne	HTR1A	25	44
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120189	GC	On-Demand	Anodyne	DRD2	17	43
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120189	GC	On-Demand	Anodyne	DRD4	33	44
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120189	GC	On-Demand	Anodyne	DRD3	15	43
O=C(NC(C1CCCC1)C1CCCC1)N1CCC(c2ccon2)CC1	ZINC000852120206	EI	On-Demand	Anodyne	SMO	36	42
C#C[C@H](NC(=O)NCCc1ccc(Br)cc1)C1CCOCC1	ZINC000852120229	FF	On-Demand	Mild	MMP2	44	31
C#C[C@@H](NC(=O)NCCc1ccc(Br)cc1)C1CCOCC1	ZINC000852120230	FF	On-Demand	Mild	MMP2	44	31
CN(Cc1cnc[nH]1)C(=O)NCC1Cc2ccccc2C1	ZINC000852120261	CD	On-Demand	Anodyne	TAAR1	25	43
COc1ccc(N2CC[C@H](NC(=O)NCC3Cc4ccccc4C3)C2)cc1	ZINC000852120262	FF	On-Demand	Clean	MTNR1A	28	48
COc1ccc(N2CC[C@H](NC(=O)NCC3Cc4ccccc4C3)C2)cc1	ZINC000852120262	FF	On-Demand	Clean	MTNR1B	27	48
COc1ccc(N2CC[C@H](NC(=O)NCC3Cc4ccccc4C3)C2)cc1	ZINC000852120262	FF	On-Demand	Clean	EPHX2	15	41
COc1ccc(N2CC[C@H](NC(=O)NCC3Cc4ccccc4C3)C2)cc1	ZINC000852120262	FF	On-Demand	Clean	MCHR1	15	44
O=C(CCN1CC(N2CCNC2=O)C1)OCc1ccccc1	ZINC000852120272	DC	On-Demand	Anodyne	SLC12A5	54	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CCc2ccccc2C1	ZINC000852120281	GG	On-Demand	Clean	PREP	31	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1CCc2ccccc2C1	ZINC000852120283	GG	On-Demand	Clean	PREP	31	40
C[C@@H](CNC1(CCO)CCCC1)NC(=O)OC(C)(C)C	ZINC000852120325	CE	On-Demand	Anodyne	CTSK	16	40
O=C1c2ccccc2C(=O)N1CCCCCCN1CC(N2CCNC2=O)C1	ZINC000852120350	FD	On-Demand	Anodyne	HTR1A	17	52
C[C@H](C(=O)Nc1cccnc1Cl)N1CC(N2CCNC2=O)C1	ZINC000852120352	DC	On-Demand	Anodyne	G2YM83_BOTF4	61	36
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCc1ncccn1	ZINC000852120360	FC	On-Demand	Anodyne	HTR1A	25	47
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCc1ncccn1	ZINC000852120360	FC	On-Demand	Anodyne	DRD2	19	47
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCc1ncccn1	ZINC000852120360	FC	On-Demand	Anodyne	DRD4	32	43
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCc1ncccn1	ZINC000852120360	FC	On-Demand	Anodyne	DRD3	15	46
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCc1ncccn1	ZINC000852120360	FC	On-Demand	Anodyne	P2RX3	34	46
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCc1ncccn1	ZINC000852120360	FC	On-Demand	Anodyne	SLC27A1	23	40
O=C(NCCOC1CCCCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852120378	FG	On-Demand	Anodyne	ADRB1	19	41
O=C(NCCOC1CCCCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852120379	FG	On-Demand	Anodyne	ADRB1	19	41
COCCN(CCF)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120384	FD	On-Demand	Anodyne	HTR1A	18	42
COCCN(CCF)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120384	FD	On-Demand	Anodyne	DRD2	17	43
COCCN(CCF)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120384	FD	On-Demand	Anodyne	DRD4	32	43
COCCN(CCF)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120384	FD	On-Demand	Anodyne	DRD3	17	41
COCCN(CCF)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120384	FD	On-Demand	Anodyne	P2RX3	31	42
COCCN(CCF)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120385	FD	On-Demand	Anodyne	HTR1A	18	42
COCCN(CCF)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120385	FD	On-Demand	Anodyne	DRD2	17	43
COCCN(CCF)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120385	FD	On-Demand	Anodyne	DRD4	32	43
COCCN(CCF)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120385	FD	On-Demand	Anodyne	DRD3	17	41
COCCN(CCF)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1	ZINC000852120385	FD	On-Demand	Anodyne	P2RX3	31	42
O=C(NCc1ccccc1OC1CCC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852120391	FE	On-Demand	Anodyne	EPHX2	17	46
O=C(NCc1ccccc1OC1CCC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852120392	FE	On-Demand	Anodyne	EPHX2	17	46
C[C@@]1(C#N)CCN(C(=O)NC(C2CCCC2)C2CCCC2)C1	ZINC000852120409	DH	On-Demand	Mild	CTSS	17	40
Cc1cccc(C(=O)NNC(=O)CNC2(CCO)CCCC2)c1	ZINC000852120422	DD	On-Demand	Reactive	KCNK3	54	39
Cc1cccc(C(=O)NNC(=O)CNC2(CCO)CCCC2)c1	ZINC000852120422	DD	On-Demand	Reactive	KCNK9	44	39
CC(C)(C)N1CC[C@H](NC(=O)NCC2Cc3ccccc3C2)C1	ZINC000852120429	DF	On-Demand	Anodyne	CACNA1I	41	34
CC(C)(C)N1CC[C@@H](NC(=O)NCC2Cc3ccccc3C2)C1	ZINC000852120430	DF	On-Demand	Anodyne	CACNA1I	41	34
C=CC[C@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852120455	EG	On-Demand	Mild	CTSK	17	41
C=CC[C@@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852120456	EG	On-Demand	Mild	CTSK	17	41
C=CC[C@@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852120461	DG	On-Demand	Mild	ADRB2	40	42
C=CC[C@@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852120462	DG	On-Demand	Mild	ADRB2	40	42
C=CC[C@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852120463	DG	On-Demand	Mild	ADRB2	40	42
C=CC[C@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852120464	DG	On-Demand	Mild	ADRB2	40	42
O=C(NCC1Cc2ccccc2C1)N1CC[C@@H]2C[C@H]2C1	ZINC000852120478	CE	On-Demand	Anodyne	GRIN2B	16	40
O=C(NCC1Cc2ccccc2C1)N1CC[C@H]2C[C@H]2C1	ZINC000852120479	CE	On-Demand	Anodyne	GRIN2B	16	40
O=C(NCC1Cc2ccccc2C1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852120480	CE	On-Demand	Anodyne	GRIN2B	16	40
O=C(NCC1Cc2ccccc2C1)N1CC[C@H]2C[C@@H]2C1	ZINC000852120481	CE	On-Demand	Anodyne	GRIN2B	16	40
O=C(CN1CC(N2CCNC2=O)C1)Nc1ccc2ccccc2c1	ZINC000852120522	DD	On-Demand	Anodyne	IMDH_CRYPV	25	43
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CA2	46	45
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CA6	15	44
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CA1	47	45
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CA7	30	45
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CA4	25	40
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CA12	34	45
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CA9	39	45
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CAH_METTE	19	44
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CYNT	18	40
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	NCE103	19	44
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	CA15	16	44
NS(=O)(=O)c1ccc(CCN2CC(N3CCNC3=O)C2)cc1	ZINC000852120551	DB	On-Demand	Anodyne	A6YCJ1_9METZ	22	44
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC1SCCS1	ZINC000852120587	GD	On-Demand	Anodyne	HTR1A	15	45
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC1SCCS1	ZINC000852120587	GD	On-Demand	Anodyne	DRD4	26	40
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCC1SCCS1	ZINC000852120587	GD	On-Demand	Anodyne	P2RX3	31	42
COCCN(CCF)C(=O)NCc1cccc(-n2cncn2)c1	ZINC000852120593	DD	On-Demand	Anodyne	CARM1	43	34
O=C1NCCN1C1CN(C[C@@H](O)c2ccccc2)C1	ZINC000852120600	CC	On-Demand	Anodyne	BIRC8	43	29
O=C1NCCN1C1CN(C[C@H](O)c2ccccc2)C1	ZINC000852120601	CC	On-Demand	Anodyne	BIRC8	43	29
O=C(NC[C@@H]1CCc2ccccc2C1)NNC(=O)c1cccc(F)n1	ZINC000852120655	ED	On-Demand	Reactive	PTGIR	43	33
O=C(NC[C@H]1CCc2ccccc2C1)NNC(=O)c1cccc(F)n1	ZINC000852120656	ED	On-Demand	Reactive	PTGIR	43	33
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC1Cc2ccccc2C1	ZINC000852120668	EG	On-Demand	Anodyne	MTNR1A	21	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	DRD2	22	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	DRD4	53	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	ACHE	53	54
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	HTR4	61	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	GRIN2B	25	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	SIGMAR1	57	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	SSTR5	51	36
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	CCR3	52	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1Cc2ccccc2C1	ZINC000852120669	GG	On-Demand	Anodyne	CACNA1I	65	43
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCc4ccccc4C3)C2)N1	ZINC000852120714	EE	On-Demand	Anodyne	PREP	26	40
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCc4ccccc4C3)C2)N1	ZINC000852120715	EE	On-Demand	Anodyne	PREP	26	40
O=C(NCc1cccnc1N1CCCC1)NCC1Cc2ccccc2C1	ZINC000852120742	FF	On-Demand	Anodyne	SCN2A	20	47
O=C(NCc1cccnc1N1CCCC1)NCC1Cc2ccccc2C1	ZINC000852120742	FF	On-Demand	Anodyne	SCN10A	20	47
O=C(CCNC1(CCO)CCCC1)OCc1ccccc1	ZINC000852120750	CE	On-Demand	Anodyne	SLC12A5	65	37
O=C1NCCN1C1CN(CCOc2cccc(F)c2)C1	ZINC000852120778	CC	On-Demand	Anodyne	DRD2	17	43
O=C1NCCN1C1CN(CCOc2cccc(F)c2)C1	ZINC000852120778	CC	On-Demand	Anodyne	CHRNA10	39	42
COc1ccc(N2CC[C@H](NC(=O)NCCCSC)C2)cc1	ZINC000852120806	DE	On-Demand	Clean	MTNR1A	17	46
O[C@@]1(C(F)F)CCN(CCc2nsc3ccccc23)C1	ZINC000852120840	CF	On-Demand	Anodyne	DRD2	21	40
O[C@]1(C(F)F)CCN(CCc2nsc3ccccc23)C1	ZINC000852120841	CF	On-Demand	Anodyne	DRD2	21	40
CCOC(=O)C1=C(CN2CC(N3CCNC3=O)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852120900	GC	On-Demand	Anodyne	CACNA1C	17	40
CCOC(=O)C1=C(CN2CC(N3CCNC3=O)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852120900	GC	On-Demand	Anodyne	SLC27A4	73	34
CCOC(=O)C1=C(CN2CC(N3CCNC3=O)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852120901	GC	On-Demand	Anodyne	CACNA1C	17	40
CCOC(=O)C1=C(CN2CC(N3CCNC3=O)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852120901	GC	On-Demand	Anodyne	SLC27A4	73	34
CN(C)C(=O)C1(NC[C@](O)(C(N)=O)c2ccccc2)CCCCC1	ZINC000852120933	EC	On-Demand	Anodyne	AMY2	45	32
CN(C)C(=O)C1(NC[C@@](O)(C(N)=O)c2ccccc2)CCCCC1	ZINC000852120934	EC	On-Demand	Anodyne	AMY2	45	32
O[C@@H]1CCC[C@H]1N1CC[C@@](O)(C(F)F)C1	ZINC000852120947	BC	On-Demand	Anodyne	SLC18A3	29	42
O[C@@H]1CCC[C@H]1N1CC[C@](O)(C(F)F)C1	ZINC000852120948	BC	On-Demand	Anodyne	SLC18A3	29	42
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000852120990	GF	On-Demand	Anodyne	NOS2	54	34
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000852120990	GF	On-Demand	Anodyne	NAMPT	49	41
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000852120991	GF	On-Demand	Anodyne	NOS2	54	34
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000852120991	GF	On-Demand	Anodyne	NAMPT	49	41
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000852120992	GF	On-Demand	Anodyne	NOS2	54	34
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000852120992	GF	On-Demand	Anodyne	NAMPT	49	41
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000852120993	GF	On-Demand	Anodyne	NOS2	54	34
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000852120993	GF	On-Demand	Anodyne	NAMPT	49	41
C#C[C@@H](NC(=O)NCCc1ccc(CC)cc1)C1CCOCC1	ZINC000852120994	DF	On-Demand	Mild	MMP2	44	31
C#C[C@H](NC(=O)NCCc1ccc(CC)cc1)C1CCOCC1	ZINC000852120995	DF	On-Demand	Mild	MMP2	44	31
Cc1ccc(NCCCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)nc1	ZINC000852121008	GF	On-Demand	Clean	AXL	26	40
Cc1ccc(NCCCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)nc1	ZINC000852121008	GF	On-Demand	Clean	TYRO3	25	40
Cc1ccc(NCCCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)nc1	ZINC000852121008	GF	On-Demand	Clean	MERTK	42	40
Cc1ccc(NCCCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)nc1	ZINC000852121008	GF	On-Demand	Clean	STAT6	20	40
O=C(NCCCNc1ccccn1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852121030	GE	On-Demand	Clean	STAT6	16	41
CCC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121048	CE	On-Demand	Anodyne	CTSG	19	40
CCC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121048	CE	On-Demand	Anodyne	CTRB1	30	40
CCC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121048	CE	On-Demand	Anodyne	CELA2A	18	40
CCC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121049	CE	On-Demand	Anodyne	CTSG	19	40
CCC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121049	CE	On-Demand	Anodyne	CTRB1	30	40
CCC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121049	CE	On-Demand	Anodyne	CELA2A	18	40
CCC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121050	CE	On-Demand	Anodyne	CTSG	19	40
CCC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121050	CE	On-Demand	Anodyne	CTRB1	30	40
CCC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121050	CE	On-Demand	Anodyne	CELA2A	18	40
CCC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121051	CE	On-Demand	Anodyne	CTSG	19	40
CCC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121051	CE	On-Demand	Anodyne	CTRB1	30	40
CCC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852121051	CE	On-Demand	Anodyne	CELA2A	18	40
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CCC[C@H](CC#N)C2)cc1	ZINC000852121065	GG	On-Demand	Mild	NAMPT	25	40
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CCC[C@@H](CC#N)C2)cc1	ZINC000852121066	GG	On-Demand	Mild	NAMPT	25	40
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CCC[C@H](CCF)C2)cc1	ZINC000852121149	GH	On-Demand	Anodyne	NAMPT	28	41
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CCC[C@@H](CCF)C2)cc1	ZINC000852121150	GH	On-Demand	Anodyne	NAMPT	28	41
COc1ccc(N2CC[C@H](NC(=O)NCCCNc3ccccn3)C2)cc1	ZINC000852121159	FE	On-Demand	Clean	DRD3	22	42
COc1ccc(N2CC[C@H](NC(=O)NCCCNc3ccccn3)C2)cc1	ZINC000852121159	FE	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NCCCNc3ccccn3)C2)cc1	ZINC000852121159	FE	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCCCNc3ccccn3)C2)cc1	ZINC000852121159	FE	On-Demand	Clean	IKBKE	42	34
O=C1NCCN1C1CN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852121181	CC	On-Demand	Anodyne	SLC6A3	28	44
O=C1NCCN1C1CN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852121182	CC	On-Demand	Anodyne	SLC6A3	28	44
O=C(c1ccc(CN2CC(N3CCNC3=O)C2)cc1)N1CCCC1	ZINC000852121302	ED	On-Demand	Anodyne	HRH3	16	46
O=C(c1ccc(CN2CC(N3CCNC3=O)C2)cc1)N1CCCC1	ZINC000852121302	ED	On-Demand	Anodyne	L3MBTL3	91	53
CC(=O)c1ccc(OC[C@@H](O)CN2CC(N3CCNC3=O)C2)cc1	ZINC000852121336	EC	On-Demand	Anodyne	ACOX1	47	31
CC(=O)c1ccc(OC[C@@H](O)CN2CC(N3CCNC3=O)C2)cc1	ZINC000852121336	EC	On-Demand	Anodyne	ABCB1	49	42
CC(=O)c1ccc(OC[C@H](O)CN2CC(N3CCNC3=O)C2)cc1	ZINC000852121337	EC	On-Demand	Anodyne	ACOX1	47	31
CC(=O)c1ccc(OC[C@H](O)CN2CC(N3CCNC3=O)C2)cc1	ZINC000852121337	EC	On-Demand	Anodyne	ABCB1	49	42
O[C@@]1(C(F)F)CCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852121353	CF	On-Demand	Anodyne	EBP	19	53
O[C@@]1(C(F)F)CCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852121354	CF	On-Demand	Anodyne	EBP	19	53
O[C@]1(C(F)F)CCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852121355	CF	On-Demand	Anodyne	EBP	19	53
O[C@]1(C(F)F)CCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852121356	CF	On-Demand	Anodyne	EBP	19	53
N#Cc1ccc(CCN2CC[C@@](O)(C(F)F)C2)cc1	ZINC000852121366	CD	On-Demand	Mild	KCNJ1	29	56
N#Cc1ccc(CCN2CC[C@](O)(C(F)F)C2)cc1	ZINC000852121367	CD	On-Demand	Mild	KCNJ1	29	56
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(F)cc1Cl	ZINC000852121392	FH	On-Demand	Anodyne	P2RX7	21	40
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)cc1	ZINC000852121582	FF	On-Demand	Anodyne	NOS2	58	35
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)cc1	ZINC000852121582	FF	On-Demand	Anodyne	NAMPT	42	41
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1	ZINC000852121583	FF	On-Demand	Anodyne	NOS2	58	35
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1	ZINC000852121583	FF	On-Demand	Anodyne	NAMPT	42	41
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)cc1	ZINC000852121584	FF	On-Demand	Anodyne	NOS2	58	35
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)cc1	ZINC000852121584	FF	On-Demand	Anodyne	NAMPT	42	41
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)cc1	ZINC000852121585	FF	On-Demand	Anodyne	NOS2	58	35
CN(C(=O)c1ccncc1)c1ccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)cc1	ZINC000852121585	FF	On-Demand	Anodyne	NAMPT	42	41
CC[C@@H](C)c1ccc(NC(=O)CN2CC(N3CCNC3=O)C2)cc1	ZINC000852121588	ED	On-Demand	Anodyne	SCN2A	15	40
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)cc1Cl	ZINC000852121659	FG	On-Demand	Anodyne	CACNA1H	35	41
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)cc1Cl	ZINC000852121659	FG	On-Demand	Anodyne	MAPK1	43	35
O[C@@]1(C(F)F)CCN(CCOCc2ccccc2)C1	ZINC000852121829	CD	On-Demand	Anodyne	SLC12A5	64	34
O[C@]1(C(F)F)CCN(CCOCc2ccccc2)C1	ZINC000852121830	CD	On-Demand	Anodyne	SLC12A5	64	34
COc1ccc(N2CC[C@H](NC(=O)NCCCNc3ccc(C)cn3)C2)cc1	ZINC000852121856	GF	On-Demand	Clean	IKBKE	48	36
COc1ccc(N2CC[C@H](NC(=O)NCCCNc3ccc(C)cn3)C2)cc1	ZINC000852121856	GF	On-Demand	Clean	TBK1	41	36
C=CC[C@H]1CCCN(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)C1	ZINC000852121858	GH	On-Demand	Mild	NAMPT	24	40
C=CC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)C1	ZINC000852121859	GH	On-Demand	Mild	NAMPT	24	40
CSCC[C@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852121897	DE	On-Demand	Anodyne	ACE	27	43
CSCC[C@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852121897	DE	On-Demand	Anodyne	PYGL	35	48
CSCC[C@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852121897	DE	On-Demand	Anodyne	PYGM	30	48
CSCC[C@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852121897	DE	On-Demand	Anodyne	TPP2	44	31
CSCC[C@@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852121898	DE	On-Demand	Anodyne	ACE	27	43
CSCC[C@@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852121898	DE	On-Demand	Anodyne	PYGL	35	48
CSCC[C@@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852121898	DE	On-Demand	Anodyne	PYGM	30	48
CSCC[C@@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852121898	DE	On-Demand	Anodyne	TPP2	44	31
CSCC[C@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852121899	DE	On-Demand	Anodyne	ACE	27	43
CSCC[C@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852121899	DE	On-Demand	Anodyne	PYGL	35	48
CSCC[C@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852121899	DE	On-Demand	Anodyne	PYGM	30	48
CSCC[C@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852121899	DE	On-Demand	Anodyne	TPP2	44	31
CSCC[C@@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852121900	DE	On-Demand	Anodyne	ACE	27	43
CSCC[C@@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852121900	DE	On-Demand	Anodyne	PYGL	35	48
CSCC[C@@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852121900	DE	On-Demand	Anodyne	PYGM	30	48
CSCC[C@@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852121900	DE	On-Demand	Anodyne	TPP2	44	31
CCOc1cc(CCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)ccc1OC	ZINC000852121944	GG	On-Demand	Anodyne	SSTR5	42	36
CCOc1cc(CCCNC(=O)NCC2SCCS2)ccc1OC	ZINC000852121963	FG	On-Demand	Anodyne	SSTR5	48	38
CCOc1cc(CCCNC(=O)NCC2SCCS2)ccc1OC	ZINC000852121963	FG	On-Demand	Anodyne	MTNR1A	20	46
CCOc1cc(CCCNC(=O)NCC2SCCS2)ccc1OC	ZINC000852121963	FG	On-Demand	Anodyne	MTNR1B	22	46
CSCC[C@H](C)NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852121968	FH	On-Demand	Anodyne	CACNA1I	50	34
CSCC[C@@H](C)NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852121969	FH	On-Demand	Anodyne	CACNA1I	50	34
CSCC[C@H](C)NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852121970	FH	On-Demand	Anodyne	CACNA1I	50	34
CSCC[C@@H](C)NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852121971	FH	On-Demand	Anodyne	CACNA1I	50	34
CSCC[C@@H](C)NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852122000	FH	On-Demand	Anodyne	MDM2	47	32
CSCC[C@H](C)NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852122001	FH	On-Demand	Anodyne	MDM2	47	32
COC(=O)N(C)CCNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1	ZINC000852122009	FE	On-Demand	Anodyne	UTS2	44	35
COC(=O)N(C)CCNC(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1	ZINC000852122010	FE	On-Demand	Anodyne	UTS2	44	35
COC(=O)N(C)CCNC(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1	ZINC000852122011	FE	On-Demand	Anodyne	UTS2	44	35
COC(=O)N(C)CCNC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1	ZINC000852122012	FE	On-Demand	Anodyne	UTS2	44	35
CSCC[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122101	FF	On-Demand	Anodyne	ACHE	26	44
CSCC[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122101	FF	On-Demand	Anodyne	HTR4	50	46
CSCC[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122101	FF	On-Demand	Anodyne	SIGMAR1	21	40
CSCC[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122101	FF	On-Demand	Anodyne	CCR3	24	40
CSCC[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122101	FF	On-Demand	Anodyne	CACNA1I	70	44
CSCC[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122102	FF	On-Demand	Anodyne	ACHE	26	44
CSCC[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122102	FF	On-Demand	Anodyne	HTR4	50	46
CSCC[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122102	FF	On-Demand	Anodyne	SIGMAR1	21	40
CSCC[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122102	FF	On-Demand	Anodyne	CCR3	24	40
CSCC[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122102	FF	On-Demand	Anodyne	CACNA1I	70	44
CSC[C@@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852122106	GD	On-Demand	Reactive	SIGMAR1	15	40
CCOc1cc(CCCNC(=O)NCc2ncccn2)ccc1OC	ZINC000852122130	EE	On-Demand	Anodyne	INHA	63	44
CCOc1cc(CCCNC(=O)NCc2ncccn2)ccc1OC	ZINC000852122130	EE	On-Demand	Anodyne	SSTR5	59	39
CCOc1cc(CCCNC(=O)NCc2ncccn2)ccc1OC	ZINC000852122130	EE	On-Demand	Anodyne	MTNR1A	26	47
CCOc1cc(CCCNC(=O)NCc2ncccn2)ccc1OC	ZINC000852122130	EE	On-Demand	Anodyne	MTNR1B	28	50
O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)N[C@@H]1C=CCC1	ZINC000852122145	FC	On-Demand	Anodyne	EPHX2	15	47
O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)N[C@H]1C=CCC1	ZINC000852122146	FC	On-Demand	Anodyne	EPHX2	15	47
CSCC[C@@H](C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852122164	DG	On-Demand	Anodyne	MTNR1A	22	43
CSCC[C@@H](C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852122164	DG	On-Demand	Anodyne	MTNR1B	16	43
CSCC[C@H](C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852122165	DG	On-Demand	Anodyne	MTNR1A	22	43
CSCC[C@H](C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852122165	DG	On-Demand	Anodyne	MTNR1B	16	43
CSCC[C@@H](C)NC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852122180	GD	On-Demand	Anodyne	ACE	37	42
CSCC[C@H](C)NC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852122181	GD	On-Demand	Anodyne	ACE	37	42
CSCC[C@@H](C)NC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852122196	FI	On-Demand	Anodyne	P2RY14	46	36
CSCC[C@H](C)NC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852122197	FI	On-Demand	Anodyne	P2RY14	46	36
CCOc1cc(CCCNC(=O)N2CC[C@H](N3CCOC3=O)C2)ccc1OC	ZINC000852122241	GE	On-Demand	Anodyne	SSTR5	53	37
CCOc1cc(CCCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)ccc1OC	ZINC000852122242	GE	On-Demand	Anodyne	SSTR5	53	37
CSCC[C@@H](C)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852122243	DE	On-Demand	Anodyne	ANPEP	18	43
CSCC[C@H](C)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852122244	DE	On-Demand	Anodyne	ANPEP	18	43
COCCN(CCF)C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1	ZINC000852122245	EG	On-Demand	Anodyne	UTS2	43	34
COCCN(CCF)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1	ZINC000852122246	EG	On-Demand	Anodyne	UTS2	43	34
COCCN(CCF)C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1	ZINC000852122247	EG	On-Demand	Anodyne	UTS2	43	34
COCCN(CCF)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1	ZINC000852122248	EG	On-Demand	Anodyne	UTS2	43	34
CCOc1cc(CCCNC(=O)NCCC2SCCS2)ccc1OC	ZINC000852122268	GH	On-Demand	Anodyne	SSTR5	40	36
CCOc1cc(CCCNC(=O)NCCC2SCCS2)ccc1OC	ZINC000852122268	GH	On-Demand	Anodyne	MTNR1A	19	46
CCOc1cc(CCCNC(=O)NCCC2SCCS2)ccc1OC	ZINC000852122268	GH	On-Demand	Anodyne	MTNR1B	21	46
COc1ccc(N2CC[C@H](NC(=O)NCCCC3CC3)C2)cc1	ZINC000852122270	DF	On-Demand	Clean	MTNR1A	21	47
COc1ccc(N2CC[C@H](NC(=O)NCCCC3CC3)C2)cc1	ZINC000852122270	DF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NCCCC3CC3)C2)cc1	ZINC000852122270	DF	On-Demand	Clean	MCHR1	15	52
C=C(Cl)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122286	DE	On-Demand	Mild	ACHE	35	49
C=C(Cl)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122286	DE	On-Demand	Mild	HTR4	38	42
C=C(Cl)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122286	DE	On-Demand	Mild	SIGMAR1	31	45
C=C(Cl)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122286	DE	On-Demand	Mild	CCR3	27	42
C=C(Cl)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852122286	DE	On-Demand	Mild	CACNA1I	69	44
C=C(Cl)CNC(=O)N1CCc2nccnc2C1	ZINC000852122304	CD	On-Demand	Mild	MAPK1	41	37
C=C(Cl)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852122315	DH	On-Demand	Mild	KCNH2	45	46
C=C(Cl)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852122315	DH	On-Demand	Mild	EPHX2	16	44
C=C(Cl)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852122315	DH	On-Demand	Mild	GLRA1	41	32
C=C(Cl)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852122330	CD	On-Demand	Mild	CCKAR	40	43
C=C(Cl)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852122330	CD	On-Demand	Mild	PYGL	42	53
C=C(Cl)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852122330	CD	On-Demand	Mild	PYGM	40	53
C=C(Cl)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852122330	CD	On-Demand	Mild	CCKBR	39	43
C=C(Cl)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852122331	CD	On-Demand	Mild	CCKAR	40	43
C=C(Cl)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852122331	CD	On-Demand	Mild	PYGL	42	53
C=C(Cl)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852122331	CD	On-Demand	Mild	PYGM	40	53
C=C(Cl)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852122331	CD	On-Demand	Mild	CCKBR	39	43
C=C(Cl)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852122333	CE	On-Demand	Mild	DRD2	17	45
C=C(Cl)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852122333	CE	On-Demand	Mild	SIGMAR1	36	44
C=C(Cl)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852122334	CE	On-Demand	Mild	DRD2	17	45
C=C(Cl)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852122334	CE	On-Demand	Mild	SIGMAR1	36	44
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCCCC2CC2)O1	ZINC000852122429	FD	On-Demand	Reactive	ACHE	35	45
CSCC[C@@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852122438	DF	On-Demand	Anodyne	SCN2A	18	43
CSCC[C@@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852122438	DF	On-Demand	Anodyne	SCN10A	19	43
CSCC[C@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852122439	DF	On-Demand	Anodyne	SCN2A	18	43
CSCC[C@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852122439	DF	On-Demand	Anodyne	SCN10A	19	43
CSCC[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852122444	EG	On-Demand	Anodyne	SOAT1	24	40
CSCC[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852122445	EG	On-Demand	Anodyne	SOAT1	24	40
CSCC[C@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852122446	EG	On-Demand	Anodyne	SOAT1	24	40
CSCC[C@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852122447	EG	On-Demand	Anodyne	SOAT1	24	40
C=C(Cl)CNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852122488	GH	On-Demand	Mild	GPR119	37	46
C=C(Cl)CNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852122489	GH	On-Demand	Mild	GPR119	37	46
N#C[C@@H](c1ccccc1)N1CC[C@@](O)(C(F)F)C1	ZINC000852122492	CD	On-Demand	Mild	OPRL1	22	44
N#C[C@H](c1ccccc1)N1CC[C@](O)(C(F)F)C1	ZINC000852122493	CD	On-Demand	Mild	OPRL1	22	44
N#C[C@@H](c1ccccc1)N1CC[C@](O)(C(F)F)C1	ZINC000852122494	CD	On-Demand	Mild	OPRL1	22	44
C=C(Cl)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852122530	EG	On-Demand	Mild	NPFFR1	40	38
C=C(Cl)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852122531	EG	On-Demand	Mild	NPFFR1	40	38
C=C(Cl)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852122571	DE	On-Demand	Mild	MTNR1A	18	51
C=C(Cl)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852122571	DE	On-Demand	Mild	MTNR1B	17	51
C=C(Cl)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852122571	DE	On-Demand	Mild	EPHX2	15	43
C=C(Cl)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852122572	DE	On-Demand	Mild	MTNR1A	18	51
C=C(Cl)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852122572	DE	On-Demand	Mild	MTNR1B	17	51
C=C(Cl)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852122572	DE	On-Demand	Mild	EPHX2	15	43
C=C(Cl)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852122579	DG	On-Demand	Mild	SCD1	18	43
C=C(Cl)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852122579	DG	On-Demand	Mild	SCD	30	43
C=C(Cl)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852122579	DG	On-Demand	Mild	TRPM8	30	55
CCOc1cc(CCCNC(=O)N[C@@H]2COC3(CCC3)C2)ccc1OC	ZINC000852122610	FG	On-Demand	Anodyne	SSTR5	53	37
CCOc1cc(CCCNC(=O)N[C@H]2COC3(CCC3)C2)ccc1OC	ZINC000852122611	FG	On-Demand	Anodyne	SSTR5	53	37
CSC[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852122620	DF	On-Demand	Anodyne	SOAT1	26	40
CSC[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852122621	DF	On-Demand	Anodyne	SOAT1	26	40
O=C(NCCCC1CC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852122623	EF	On-Demand	Clean	CCR3	21	45
CCOc1cc(CCCNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852122626	GF	On-Demand	Anodyne	FKBP1A	25	43
CCOc1cc(CCCNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852122626	GF	On-Demand	Anodyne	SIGMAR1	16	47
CCOc1cc(CCCNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852122626	GF	On-Demand	Anodyne	SSTR5	86	42
CCOc1cc(CCCNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852122626	GF	On-Demand	Anodyne	MTNR1B	17	44
CCOc1cc(CCCNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852122626	GF	On-Demand	Anodyne	MCHR1	26	45
CCOc1cc(CCCNC(=O)N2CCC(NC(=O)OC)CC2)ccc1OC	ZINC000852122626	GF	On-Demand	Anodyne	CCR8	17	40
CCOc1cc(CCCNC(=O)NNC(=O)c2cn(C)nn2)ccc1OC	ZINC000852122646	GC	On-Demand	Reactive	SSTR5	41	36
C=C(Cl)CNC(=O)N1CCc2ccc(C)cc2C1	ZINC000852122741	CF	On-Demand	Mild	HDAC6	34	41
C=C(Cl)CNC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852122790	EF	On-Demand	Mild	NQO2	21	41
CSCC[C@@H](C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852122791	DF	On-Demand	Anodyne	SIGMAR1	22	43
CSCC[C@H](C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852122792	DF	On-Demand	Anodyne	SIGMAR1	22	43
C=C(Cl)CNC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852122793	EF	On-Demand	Mild	NQO2	21	41
CSCC[C@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852122794	DF	On-Demand	Anodyne	SIGMAR1	22	43
CSCC[C@@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852122796	DF	On-Demand	Anodyne	SIGMAR1	22	43
CC(=O)Oc1ccc(CN2CCC(CO)(NCC(C)C)CC2)cc1	ZINC000852122830	EE	On-Demand	Anodyne	MMP13	15	41
CC(=O)Oc1ccc(CN2CCC(CO)(NCC(C)C)CC2)cc1	ZINC000852122830	EE	On-Demand	Anodyne	NPFFR1	44	39
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(CO)(NCC(C)C)CC2)cc1	ZINC000852122856	GD	On-Demand	Anodyne	ACOX1	59	35
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(CO)(NCC(C)C)CC2)cc1	ZINC000852122856	GD	On-Demand	Anodyne	ABCB1	65	47
CC(=O)c1ccc(OC[C@H](O)CN2CCC(CO)(NCC(C)C)CC2)cc1	ZINC000852122857	GD	On-Demand	Anodyne	ACOX1	59	35
CC(=O)c1ccc(OC[C@H](O)CN2CCC(CO)(NCC(C)C)CC2)cc1	ZINC000852122857	GD	On-Demand	Anodyne	ABCB1	65	47
C=C(Cl)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852122859	EF	On-Demand	Mild	SSTR3	36	52
C=C(Cl)CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852122868	EH	On-Demand	Mild	MDM2	63	33
CCOc1cc(CCCNC(=O)N[C@H]2C=CCC2)ccc1OC	ZINC000852122884	DG	On-Demand	Anodyne	SSTR5	60	37
CCOc1cc(CCCNC(=O)N[C@H]2C=CCC2)ccc1OC	ZINC000852122884	DG	On-Demand	Anodyne	MTNR1B	18	45
CCOc1cc(CCCNC(=O)N[C@@H]2C=CCC2)ccc1OC	ZINC000852122885	DG	On-Demand	Anodyne	SSTR5	60	37
CCOc1cc(CCCNC(=O)N[C@@H]2C=CCC2)ccc1OC	ZINC000852122885	DG	On-Demand	Anodyne	MTNR1B	18	45
CCOc1cc(CCCNC(=O)NNc2ccc(Cl)cn2)ccc1OC	ZINC000852122891	GG	On-Demand	Reactive	F10	52	35
CCOc1cc(CCCNC(=O)NNc2ccc(Cl)cn2)ccc1OC	ZINC000852122891	GG	On-Demand	Reactive	AGPAT2	33	40
CSC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852122892	FH	On-Demand	Anodyne	FPR1	50	36
CSC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852122892	FH	On-Demand	Anodyne	PDS	58	33
O=C(NCCCC1CC1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852122913	EF	On-Demand	Anodyne	CCR3	19	43
CSCC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852122924	FH	On-Demand	Anodyne	ANPEP	15	40
CSCC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852122924	FH	On-Demand	Anodyne	FPR1	63	43
CSCC[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852122925	FH	On-Demand	Anodyne	ANPEP	15	40
CSCC[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852122925	FH	On-Demand	Anodyne	FPR1	63	43
CSC[C@@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852122928	EF	On-Demand	Anodyne	PAPA1_CARPA	18	40
CSC[C@@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852122928	EF	On-Demand	Anodyne	CTSK	16	42
CC[C@@H](CNC(=O)NCc1ncccn1)Cc1cccc(Br)c1	ZINC000852122960	GG	On-Demand	Anodyne	PDS	45	40
CSC[C@@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852122976	GH	On-Demand	Anodyne	GPR119	29	46
CSC[C@@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852122978	GH	On-Demand	Anodyne	GPR119	29	46
C=C(Cl)CNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852122991	CF	On-Demand	Mild	TNKS	42	34
C=C(Cl)CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852123001	EH	On-Demand	Mild	P2RY14	45	37
FC(F)OCCN1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852123010	CF	On-Demand	Anodyne	KCNN3	30	40
FC(F)OCCN1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852123013	CF	On-Demand	Anodyne	KCNN3	30	40
FC(F)(Br)CN1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852123036	EH	On-Demand	Anodyne	KCNN3	36	45
FC(F)(Br)CN1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852123037	EH	On-Demand	Anodyne	KCNN3	36	45
COCCN(CCF)C(=O)NC[C@H](c1ccccc1OC)N1CCCCC1	ZINC000852123046	GF	On-Demand	Anodyne	ACKR3	65	32
COCCN(CCF)C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1	ZINC000852123048	GF	On-Demand	Anodyne	ACKR3	65	32
C#CCOCCN1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852123079	CE	On-Demand	Mild	KCNN3	35	41
C#CCOCCN1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852123081	CE	On-Demand	Mild	KCNN3	35	41
C=C(Cl)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852123086	CF	On-Demand	Mild	DRD4	44	34
C=C(Cl)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852123086	CF	On-Demand	Mild	DRD5	20	46
C=C(Cl)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852123086	CF	On-Demand	Mild	MTNR1A	40	44
C=C(Cl)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852123086	CF	On-Demand	Mild	MTNR1B	40	44
C=C(Cl)CNC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852123088	ED	On-Demand	Mild	SIGMAR1	27	49
C=C(Cl)CNC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852123090	ED	On-Demand	Mild	SIGMAR1	27	49
COc1ccc2c(CN3CCC(CO)(NCC(C)C)CC3)cc(=O)oc2c1	ZINC000852123185	FE	On-Demand	Anodyne	CYP11B1	16	40
CCCC[C@@H](COC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852123192	EF	On-Demand	Clean	P2RY12	44	34
CCCC[C@@H](COC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852123193	EF	On-Demand	Clean	P2RY12	44	34
CCCC[C@H](COC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852123194	EF	On-Demand	Clean	P2RY12	44	34
CCCC[C@H](COC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852123195	EF	On-Demand	Clean	P2RY12	44	34
CCCC[C@H](COC)NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852123200	GF	On-Demand	Anodyne	CTSK	15	43
CCCC[C@@H](COC)NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852123201	GF	On-Demand	Anodyne	CTSK	15	43
CSCC[C@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852123212	EH	On-Demand	Anodyne	SLC6A3	20	48
CSCC[C@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852123212	EH	On-Demand	Anodyne	KCNH2	42	40
CSCC[C@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852123212	EH	On-Demand	Anodyne	GLRA1	43	33
CSCC[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852123213	EH	On-Demand	Anodyne	SLC6A3	20	48
CSCC[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852123213	EH	On-Demand	Anodyne	KCNH2	42	40
CSCC[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852123213	EH	On-Demand	Anodyne	GLRA1	43	33
C=C(Cl)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852123289	GF	On-Demand	Mild	EPHX2	24	43
C=C(Cl)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852123289	GF	On-Demand	Mild	RBP4	50	42
C=C(Cl)CNC(=O)N(C)Cc1cnc[nH]1	ZINC000852123290	BD	On-Demand	Mild	TAAR1	26	40
C=C(Cl)CNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852123309	ED	On-Demand	Mild	DRD2	25	41
C=C(Cl)CNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852123309	ED	On-Demand	Mild	DRD4	15	41
C=C(Cl)CNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852123309	ED	On-Demand	Mild	KCNA3	42	39
C=C(Cl)CNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852123309	ED	On-Demand	Mild	HCN1	75	43
C=C(Cl)CNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852123309	ED	On-Demand	Mild	HCN4	50	39
C=C(Cl)CNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852123339	DG	On-Demand	Mild	DRD4	44	34
C=C(Cl)CNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852123340	DG	On-Demand	Mild	DRD4	44	34
C=C(Cl)CNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852123370	CF	On-Demand	Mild	MTNR1A	15	45
C=C(Cl)CNC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852123379	GH	On-Demand	Mild	GPR119	25	41
C=C(Cl)CNC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852123380	GH	On-Demand	Mild	GPR119	25	41
CSCC[C@@H](C)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852123427	DF	On-Demand	Anodyne	CACNA1I	56	36
CSCC[C@H](C)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852123428	DF	On-Demand	Anodyne	CACNA1I	56	36
COC(=O)c1ccc(CNC(=O)N[C@@H](C)CCSC)c(F)c1	ZINC000852123442	EF	On-Demand	Anodyne	BDKRB1	21	40
COC(=O)c1ccc(CNC(=O)N[C@H](C)CCSC)c(F)c1	ZINC000852123443	EF	On-Demand	Anodyne	BDKRB1	21	40
Cc1cccc(C(=O)NNC(=O)CN2CCC(CO)(NCC(C)C)CC2)c1	ZINC000852123461	GC	On-Demand	Reactive	KCNK3	45	35
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC[C@@H]2c2nc3ccccc3[nH]2)C1	ZINC000852123478	GG	On-Demand	Anodyne	PRCP	41	36
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC[C@@H]2c2nc3ccccc3[nH]2)C1	ZINC000852123479	GG	On-Demand	Anodyne	PRCP	41	36
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC[C@H]2c2nc3ccccc3[nH]2)C1	ZINC000852123480	GG	On-Demand	Anodyne	PRCP	41	36
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC[C@H]2c2nc3ccccc3[nH]2)C1	ZINC000852123481	GG	On-Demand	Anodyne	PRCP	41	36
CSCC[C@@H](C)NC(=O)N1CCc2ccc(C)cc2C1	ZINC000852123484	CG	On-Demand	Anodyne	MAPK1	42	36
CSCC[C@H](C)NC(=O)N1CCc2ccc(C)cc2C1	ZINC000852123485	CG	On-Demand	Anodyne	MAPK1	42	36
CSC[C@@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852123501	EG	On-Demand	Anodyne	ADRB2	19	41
CSC[C@@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852123502	EG	On-Demand	Anodyne	ADRB2	19	41
COc1cccc(OC)c1CNC(=O)N[C@H](C)CCSC	ZINC000852123557	DF	On-Demand	Anodyne	ANPEP	16	44
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CCSC	ZINC000852123558	DF	On-Demand	Anodyne	ANPEP	16	44
C=C(Cl)CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852123619	CE	On-Demand	Mild	CACNA1I	61	37
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CC(NC(=O)OC(C)(C)C)C1	ZINC000852123622	FD	On-Demand	Anodyne	AMY2	54	32
C=C(Cl)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852123638	CE	On-Demand	Mild	SCN2A	20	50
C=C(Cl)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852123638	CE	On-Demand	Mild	SCN10A	24	50
CCOc1cc(CCCNC(=O)NNC(=O)c2cccc(F)n2)ccc1OC	ZINC000852123687	GE	On-Demand	Reactive	SSTR5	47	36
CCOc1cc(CCCNC(=O)NNC(=O)c2cccc(F)n2)ccc1OC	ZINC000852123687	GE	On-Demand	Reactive	MTNR1A	17	43
CCOc1cc(CCCNC(=O)NNC(=O)c2cccc(F)n2)ccc1OC	ZINC000852123687	GE	On-Demand	Reactive	MTNR1B	18	48
CSC[C@@H](C)NC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852123702	GH	On-Demand	Anodyne	GPR119	19	41
CSC[C@@H](C)NC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852123706	GH	On-Demand	Anodyne	GPR119	19	41
CSCC[C@H](C)NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852123844	EG	On-Demand	Anodyne	ACE	15	46
CSCC[C@H](C)NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852123844	EG	On-Demand	Anodyne	NPY1R	29	41
CSCC[C@@H](C)NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852123845	EG	On-Demand	Anodyne	ACE	15	46
CSCC[C@@H](C)NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852123845	EG	On-Demand	Anodyne	NPY1R	29	41
CSCC[C@@H](C)NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852123846	EG	On-Demand	Anodyne	ACE	15	46
CSCC[C@@H](C)NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852123846	EG	On-Demand	Anodyne	NPY1R	29	41
CSCC[C@H](C)NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852123847	EG	On-Demand	Anodyne	ACE	15	46
CSCC[C@H](C)NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852123847	EG	On-Demand	Anodyne	NPY1R	29	41
CSCC[C@H](C)NC(=O)N1CCc2nccnc2C1	ZINC000852123849	CD	On-Demand	Anodyne	MAPK1	51	39
CSCC[C@@H](C)NC(=O)N1CCc2nccnc2C1	ZINC000852123850	CD	On-Demand	Anodyne	MAPK1	51	39
C[C@@H]1[C@@H](O)CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852123865	CC	On-Demand	Anodyne	AMY2	47	33
C[C@@H]1[C@@H](O)CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852123867	CC	On-Demand	Anodyne	AMY2	47	33
Fc1cccc(CN2CCC[C@H]2c2nc3ccccc3[nH]2)n1	ZINC000852124015	CG	On-Demand	Anodyne	KCNN3	29	40
Fc1cccc(CN2CCC[C@@H]2c2nc3ccccc3[nH]2)n1	ZINC000852124016	CG	On-Demand	Anodyne	KCNN3	29	40
NC(=O)[C@@](O)(CN1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124146	FE	On-Demand	Anodyne	PRCP	55	42
NC(=O)[C@@](O)(CN1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124146	FE	On-Demand	Anodyne	PARP1	17	44
NC(=O)[C@@](O)(CN1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124146	FE	On-Demand	Anodyne	TPP2	15	42
NC(=O)[C@](O)(CN1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124150	FE	On-Demand	Anodyne	PRCP	55	42
NC(=O)[C@](O)(CN1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124150	FE	On-Demand	Anodyne	PARP1	17	44
NC(=O)[C@](O)(CN1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124150	FE	On-Demand	Anodyne	TPP2	15	42
NC(=O)[C@](O)(CN1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124153	FE	On-Demand	Anodyne	PRCP	55	42
NC(=O)[C@](O)(CN1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124153	FE	On-Demand	Anodyne	PARP1	17	44
NC(=O)[C@](O)(CN1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124153	FE	On-Demand	Anodyne	TPP2	15	42
NC(=O)[C@@](O)(CN1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124155	FE	On-Demand	Anodyne	PRCP	55	42
NC(=O)[C@@](O)(CN1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124155	FE	On-Demand	Anodyne	PARP1	17	44
NC(=O)[C@@](O)(CN1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852124155	FE	On-Demand	Anodyne	TPP2	15	42
O=C(CN1CCC[C@H]1c1nc2ccccc2[nH]1)Nc1ccc(Cl)nc1	ZINC000852124251	FG	On-Demand	Anodyne	PRCP	60	39
O=C(CN1CCC[C@H]1c1nc2ccccc2[nH]1)Nc1ccc(Cl)nc1	ZINC000852124251	FG	On-Demand	Anodyne	NR2E3	60	34
O=C(CN1CCC[C@@H]1c1nc2ccccc2[nH]1)Nc1ccc(Cl)nc1	ZINC000852124252	FG	On-Demand	Anodyne	PRCP	60	39
O=C(CN1CCC[C@@H]1c1nc2ccccc2[nH]1)Nc1ccc(Cl)nc1	ZINC000852124252	FG	On-Demand	Anodyne	NR2E3	60	34
CSCC[C@@H](C)NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852124260	ED	On-Demand	Anodyne	CA2	17	41
CSCC[C@H](C)NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852124261	ED	On-Demand	Anodyne	CA2	17	41
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852124278	FG	On-Demand	Anodyne	TPP2	15	43
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852124279	FG	On-Demand	Anodyne	TPP2	15	43
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852124280	FG	On-Demand	Anodyne	TPP2	15	43
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852124281	FG	On-Demand	Anodyne	TPP2	15	43
O=C1CC[C@H](CN2CCC[C@@H]2c2nc3ccccc3[nH]2)O1	ZINC000852124293	CE	On-Demand	Anodyne	KCNN3	33	41
O=C1CC[C@@H](CN2CCC[C@H]2c2nc3ccccc3[nH]2)O1	ZINC000852124294	CE	On-Demand	Anodyne	KCNN3	33	41
O=C1CC[C@H](CN2CCC[C@H]2c2nc3ccccc3[nH]2)O1	ZINC000852124295	CE	On-Demand	Anodyne	KCNN3	33	41
O=C1CC[C@@H](CN2CCC[C@@H]2c2nc3ccccc3[nH]2)O1	ZINC000852124296	CE	On-Demand	Anodyne	KCNN3	33	41
c1ccc2[nH]c([C@H]3CCCN3Cc3cnon3)nc2c1	ZINC000852124297	CE	On-Demand	Anodyne	KCNN3	29	40
c1ccc2[nH]c([C@@H]3CCCN3Cc3cnon3)nc2c1	ZINC000852124298	CE	On-Demand	Anodyne	KCNN3	29	40
CSCC[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852124317	FG	On-Demand	Anodyne	SSTR3	31	45
CSCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852124318	FG	On-Demand	Anodyne	SSTR3	31	45
CN(C)[C@@H](CNC(=O)NNc1ccc(Cl)cn1)c1ccc(F)cc1	ZINC000852124335	FF	On-Demand	Reactive	F10	25	41
CSCC[C@@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852124339	DG	On-Demand	Anodyne	ACE	23	42
CSCC[C@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852124340	DG	On-Demand	Anodyne	ACE	23	42
CSCC[C@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852124341	DG	On-Demand	Anodyne	ACE	23	42
CSCC[C@@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852124342	DG	On-Demand	Anodyne	ACE	23	42
CSCC[C@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852124426	EH	On-Demand	Anodyne	SCD1	15	41
CSCC[C@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852124426	EH	On-Demand	Anodyne	SCD	28	41
CSCC[C@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852124426	EH	On-Demand	Anodyne	TRPM8	23	52
CSCC[C@@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852124427	EH	On-Demand	Anodyne	SCD1	15	41
CSCC[C@@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852124427	EH	On-Demand	Anodyne	SCD	28	41
CSCC[C@@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852124427	EH	On-Demand	Anodyne	TRPM8	23	52
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	DRD2	16	48
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	DRD4	42	48
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	CHRM3	17	41
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	SIGMAR1	33	45
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	SSTR5	52	36
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	CCR3	38	44
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	UTS2R	23	40
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	CCR2	18	40
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	MCHR1	31	48
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124469	IF	On-Demand	Anodyne	BIRC2	35	43
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	DRD2	16	48
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	DRD4	42	48
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	CHRM3	17	41
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	SIGMAR1	33	45
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	SSTR5	52	36
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	CCR3	38	44
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	UTS2R	23	40
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	CCR2	18	40
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	MCHR1	31	48
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124470	IF	On-Demand	Anodyne	BIRC2	35	43
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	DRD2	16	48
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	DRD4	42	48
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	CHRM3	17	41
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	SIGMAR1	33	45
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	SSTR5	52	36
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	CCR3	38	44
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	UTS2R	23	40
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	CCR2	18	40
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	MCHR1	31	48
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124471	IF	On-Demand	Anodyne	BIRC2	35	43
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	DRD2	16	48
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	DRD4	42	48
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	CHRM3	17	41
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	SIGMAR1	33	45
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	SSTR5	52	36
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	CCR3	38	44
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	UTS2R	23	40
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	CCR2	18	40
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	MCHR1	31	48
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1	ZINC000852124472	IF	On-Demand	Anodyne	BIRC2	35	43
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124616	JD	On-Demand	Anodyne	CA2	44	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124616	JD	On-Demand	Anodyne	CA1	29	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124616	JD	On-Demand	Anodyne	CA7	37	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124616	JD	On-Demand	Anodyne	CA13	38	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124616	JD	On-Demand	Anodyne	CA12	19	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124617	JD	On-Demand	Anodyne	CA2	44	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124617	JD	On-Demand	Anodyne	CA1	29	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124617	JD	On-Demand	Anodyne	CA7	37	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124617	JD	On-Demand	Anodyne	CA13	38	55
Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124617	JD	On-Demand	Anodyne	CA12	19	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124618	JD	On-Demand	Anodyne	CA2	44	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124618	JD	On-Demand	Anodyne	CA1	29	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124618	JD	On-Demand	Anodyne	CA7	37	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124618	JD	On-Demand	Anodyne	CA13	38	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124618	JD	On-Demand	Anodyne	CA12	19	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124619	JD	On-Demand	Anodyne	CA2	44	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124619	JD	On-Demand	Anodyne	CA1	29	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124619	JD	On-Demand	Anodyne	CA7	37	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124619	JD	On-Demand	Anodyne	CA13	38	55
Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000852124619	JD	On-Demand	Anodyne	CA12	19	55
Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2ncns2)CC1	ZINC000852124752	FG	On-Demand	Anodyne	DRD4	21	40
O=C(NCCCN1CCOC1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852124872	GD	On-Demand	Anodyne	SSTR3	29	43
Fc1cccc(OCCN2CCN(c3ncns3)CC2)c1	ZINC000852124875	DD	On-Demand	Anodyne	DRD2	20	41
Fc1cccc(OCCN2CCN(c3ncns3)CC2)c1	ZINC000852124875	DD	On-Demand	Anodyne	HTR2A	17	41
Fc1cccc(OCCN2CCN(c3ncns3)CC2)c1	ZINC000852124875	DD	On-Demand	Anodyne	LTA4H	37	42
Fc1cccc(OCCN2CCN(c3ncns3)CC2)c1	ZINC000852124875	DD	On-Demand	Anodyne	CHRNA10	32	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@H]3CCCOC3)C2)CC1	ZINC000852124912	GG	On-Demand	Anodyne	GPR119	25	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@@H]3CCCOC3)C2)CC1	ZINC000852124913	GG	On-Demand	Anodyne	GPR119	25	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@H]3CCCOC3)C2)CC1	ZINC000852124914	GG	On-Demand	Anodyne	GPR119	25	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@@H]3CCCOC3)C2)CC1	ZINC000852124915	GG	On-Demand	Anodyne	GPR119	25	44
COc1ccc(OC)c([C@H](O)CN2CCN(c3ncns3)CC2)c1	ZINC000852124933	FD	On-Demand	Anodyne	ABCB1	16	41
CC(=O)C1CCN(Cc2cc(F)ccc2OC(F)F)CC1	ZINC000852124953	DG	On-Demand	Anodyne	SIGMAR1	15	40
CC(=O)C1CCN(Cc2cc(F)ccc2OC(F)F)CC1	ZINC000852124953	DG	On-Demand	Anodyne	CACNA1G	37	41
CNS(=O)(=O)c1ccc(CN2CCC(C(C)=O)CC2)cc1	ZINC000852124957	DD	On-Demand	Anodyne	HRH3	23	44
CNS(=O)(=O)c1ccc(CN2CCC(C(C)=O)CC2)cc1	ZINC000852124957	DD	On-Demand	Anodyne	SIGMAR1	36	44
CNS(=O)(=O)c1ccc(CN2CCC(C(C)=O)CC2)cc1	ZINC000852124957	DD	On-Demand	Anodyne	MMP13	18	40
CNS(=O)(=O)c1ccc(CN2CCC(C(C)=O)CC2)cc1	ZINC000852124957	DD	On-Demand	Anodyne	LSS	15	42
CNS(=O)(=O)c1ccc(CN2CCC(C(C)=O)CC2)cc1	ZINC000852124957	DD	On-Demand	Anodyne	CACNA1G	33	41
CC(=O)C1CCN(CCSc2cccc(Cl)c2)CC1	ZINC000852124973	CH	On-Demand	Anodyne	DRD2	17	42
CC(=O)C1CCN(CCSc2cccc(Cl)c2)CC1	ZINC000852124973	CH	On-Demand	Anodyne	DRD3	18	42
CC(=O)C1CCN(CCSc2cccc(Cl)c2)CC1	ZINC000852124973	CH	On-Demand	Anodyne	HTR7	15	42
CC(=O)C1CCN(CCSc2cccc(Cl)c2)CC1	ZINC000852124973	CH	On-Demand	Anodyne	CCR5	20	40
CC(=O)C1CCN(CCSc2cccc(Cl)c2)CC1	ZINC000852124973	CH	On-Demand	Anodyne	CACNA1I	29	40
CC(=O)C1CCN(Cc2oc3ccccc3c2Br)CC1	ZINC000852125005	EH	On-Demand	Anodyne	SIGMAR1	24	40
O=C(NCCCN1CCOC1=O)NCc1cccc(OC2CC2)c1F	ZINC000852125013	FE	On-Demand	Anodyne	CCR3	22	43
COC(=O)c1ccc(CNC(=O)NCCCN2CCOC2=O)c(F)c1	ZINC000852125049	FD	On-Demand	Anodyne	ADRA1A	42	35
CC(C)(C)OC(=O)N1CC[C@H](CN2CCN(c3ncns3)CC2)C1	ZINC000852125067	FD	On-Demand	Anodyne	GPR119	51	41
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCN(c3ncns3)CC2)C1	ZINC000852125068	FD	On-Demand	Anodyne	GPR119	51	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)N[C@H]3CCCOC3)CC2)C1	ZINC000852125095	GG	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)N[C@@H]3CCCOC3)CC2)C1	ZINC000852125096	GG	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)N[C@H]3CCCOC3)CC2)C1	ZINC000852125097	GG	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)N[C@@H]3CCCOC3)CC2)C1	ZINC000852125098	GG	On-Demand	Anodyne	GPR119	15	40
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(O)cc1	ZINC000852125141	DD	On-Demand	Anodyne	SLC27A1	42	40
CC(=O)C1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852125161	CG	On-Demand	Anodyne	HTR1A	16	47
CC(=O)C1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852125161	CG	On-Demand	Anodyne	DRD2	19	41
CC(=O)C1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852125161	CG	On-Demand	Anodyne	HTR2A	20	50
CC(=O)C1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852125161	CG	On-Demand	Anodyne	SIGMAR1	32	51
CC(=O)C1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852125161	CG	On-Demand	Anodyne	EBP	32	51
CC(=O)C1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852125162	CG	On-Demand	Anodyne	HTR1A	16	47
CC(=O)C1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852125162	CG	On-Demand	Anodyne	DRD2	19	41
CC(=O)C1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852125162	CG	On-Demand	Anodyne	HTR2A	20	50
CC(=O)C1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852125162	CG	On-Demand	Anodyne	SIGMAR1	32	51
CC(=O)C1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852125162	CG	On-Demand	Anodyne	EBP	32	51
CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852125183	FE	On-Demand	Anodyne	GRM2	40	41
CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852125186	FE	On-Demand	Anodyne	GRM2	40	41
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC(C(C)=O)CC1	ZINC000852125194	DF	On-Demand	Anodyne	SLC6A3	34	48
CC(=O)C1CCN(Cc2cccc(F)n2)CC1	ZINC000852125225	BE	On-Demand	Anodyne	SIGMAR1	21	40
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	CHRM2	23	45
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	DRD2	25	43
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	DRD4	56	41
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	ACHE	50	46
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	HRH1	15	40
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	CHRM3	45	45
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	HRH3	20	42
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	SIGMAR1	50	48
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	MCHR1	34	42
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	CACNA1G	48	47
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	CACNA1I	26	45
CC(=O)C1CCN(Cc2cccc(C(C)(C)C)c2)CC1	ZINC000852125227	CH	On-Demand	Anodyne	CYP2J2	46	35
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CCSCC1	ZINC000852125232	EE	On-Demand	Clean	EPHX2	17	47
O=C(NCCCN1CCOC1=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852125266	FE	On-Demand	Anodyne	SCD1	17	40
O=C(NCCCN1CCOC1=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852125266	FE	On-Demand	Anodyne	SCD	21	40
O=C(NCCCN1CCOC1=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852125266	FE	On-Demand	Anodyne	TRPM8	16	48
CCOC(=O)N1CCC(NC(=O)CN2CCN(c3ncns3)CC2)CC1	ZINC000852125271	GC	On-Demand	Anodyne	CCR8	24	41
O=C(NCCCN1CCOC1=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852125318	ED	On-Demand	Anodyne	CCR3	28	41
O=C(NCCCN1CCOC1=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852125319	ED	On-Demand	Anodyne	CCR3	28	41
O=C(CN1CCN(c2ncns2)CC1)Nc1ccccc1SC(F)F	ZINC000852125320	GF	On-Demand	Anodyne	SLC27A1	55	39
O=C(CN1CCN(c2ncns2)CC1)OCc1ccccc1	ZINC000852125321	DD	On-Demand	Anodyne	SLC12A5	56	34
Nn1c(SCC(=O)Nc2ccc(N3CCCCC3)nc2)nnc1-c1ccc(Cl)cc1	ZINC000852125356	IG	On-Demand	Anodyne	IKBKB	40	32
Nn1c(SCC(=O)Nc2ccc(N3CCCCC3)nc2)nnc1-c1ccc(Cl)cc1	ZINC000852125356	IG	On-Demand	Anodyne	DGAT1	38	40
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ncns3)CC2)cc1	ZINC000852125397	FD	On-Demand	Anodyne	ACOX1	82	37
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ncns3)CC2)cc1	ZINC000852125397	FD	On-Demand	Anodyne	ABCB1	74	51
CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ncns3)CC2)cc1	ZINC000852125399	FD	On-Demand	Anodyne	ACOX1	82	37
CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ncns3)CC2)cc1	ZINC000852125399	FD	On-Demand	Anodyne	ABCB1	74	51
O=C1OCCN1CCCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852125476	FF	On-Demand	Anodyne	KCNH2	40	39
CCC(CC)(CNC(=O)NCCCN1CCOC1=O)c1ccc(F)cc1	ZINC000852125481	FG	On-Demand	Anodyne	CACNA1G	39	45
CC(=O)C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852125486	CH	On-Demand	Anodyne	SIGMAR1	37	42
CC(=O)C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852125486	CH	On-Demand	Anodyne	CCR5	65	42
CC(=O)C1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000852125486	CH	On-Demand	Anodyne	SLC18A3	40	43
O=C1OCCN1CCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852125574	DE	On-Demand	Anodyne	ADRA1D	27	42
O=C1OCCN1CCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852125574	DE	On-Demand	Anodyne	ADRA1A	46	42
O=C1OCCN1CCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852125574	DE	On-Demand	Anodyne	ADRA1B	32	42
O=C1OCCN1CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852125576	DE	On-Demand	Anodyne	ADRA1D	27	42
O=C1OCCN1CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852125576	DE	On-Demand	Anodyne	ADRA1A	46	42
O=C1OCCN1CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852125576	DE	On-Demand	Anodyne	ADRA1B	32	42
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	DRD2	16	41
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	DRD4	46	40
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	ACHE	27	40
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	HRH1	17	40
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	TACR2	18	42
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	SIGMAR1	43	44
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	CCR3	39	42
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	S1PR1	15	40
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	MCHR1	48	42
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	CACNA1G	45	43
CC(=O)C1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852125578	DI	On-Demand	Anodyne	CACNA1I	26	40
CC(=O)C1CCN(Cc2ccc(N(C)C)nc2)CC1	ZINC000852125616	CD	On-Demand	Anodyne	HRH3	23	45
CC(=O)C1CCN(Cc2ccc(N(C)C)nc2)CC1	ZINC000852125616	CD	On-Demand	Anodyne	SIGMAR1	25	41
COCCN(CCF)C(=O)NC[C@H]1CCCN1CCOC	ZINC000852125623	DC	On-Demand	Anodyne	DRD2	33	43
COCCN(CCF)C(=O)NC[C@H]1CCCN1CCOC	ZINC000852125623	DC	On-Demand	Anodyne	ACKR3	61	30
COCCN(CCF)C(=O)NC[C@@H]1CCCN1CCOC	ZINC000852125625	DC	On-Demand	Anodyne	DRD2	33	43
COCCN(CCF)C(=O)NC[C@@H]1CCCN1CCOC	ZINC000852125625	DC	On-Demand	Anodyne	ACKR3	61	30
O=C(NCc1ncccn1)NC1CCSCC1	ZINC000852125628	CD	On-Demand	Anodyne	EPHX2	19	40
O=C(NCCCN1CCOC1=O)NCCc1ccnc2ccccc12	ZINC000852125655	ED	On-Demand	Anodyne	HRP1_PLAFA	40	38
O=C(NCCCN1CCOC1=O)NCCc1ccnc2ccccc12	ZINC000852125655	ED	On-Demand	Anodyne	HNMT	49	38
COC(=O)c1ccc2nc(CN3CCC(C(C)=O)CC3)[nH]c2c1	ZINC000852125663	DE	On-Demand	Anodyne	DRD4	19	46
COC(=O)c1ccc2nc(CN3CCC(C(C)=O)CC3)[nH]c2c1	ZINC000852125663	DE	On-Demand	Anodyne	GRIN2B	19	48
COC(=O)c1ccc2nc(CN3CCC(C(C)=O)CC3)[nH]c2c1	ZINC000852125663	DE	On-Demand	Anodyne	SSTR5	43	35
N#Cc1ccc(OCCCN2CCN(c3ncns3)CC2)cc1	ZINC000852125707	EE	On-Demand	Mild	DRD2	15	43
N#Cc1ccc(OCCCN2CCN(c3ncns3)CC2)cc1	ZINC000852125707	EE	On-Demand	Mild	HRH3	61	59
N#Cc1ccc(OCCCN2CCN(c3ncns3)CC2)cc1	ZINC000852125707	EE	On-Demand	Mild	MEN1	52	48
CC(=O)C1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1	ZINC000852125726	DF	On-Demand	Anodyne	HTR2A	18	44
CC(=O)C1CCN(CCc2ccc3c(c2)OC(F)(F)O3)CC1	ZINC000852125726	DF	On-Demand	Anodyne	CACNA1G	26	41
COc1ccc(N2CC[C@H](NC(=O)NCc3nccn3C)C2)cc1	ZINC000852125749	ED	On-Demand	Clean	MTNR1B	15	44
CC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852125786	CE	On-Demand	Mild	HTR2A	16	53
CC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852125786	CE	On-Demand	Mild	KCNH2	16	63
CC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852125786	CE	On-Demand	Mild	HRH3	34	48
CC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852125786	CE	On-Demand	Mild	SIGMAR1	28	42
CC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852125786	CE	On-Demand	Mild	CCR3	17	42
CC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852125786	CE	On-Demand	Mild	CACNA1G	22	45
CC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852125786	CE	On-Demand	Mild	CYP2J2	46	35
CC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852125786	CE	On-Demand	Mild	KCNJ1	67	63
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCSCC2)O1	ZINC000852125811	GD	On-Demand	Reactive	DRD4	26	46
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCSCC2)O1	ZINC000852125811	GD	On-Demand	Reactive	SIGMAR1	25	44
CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ncns3)CC2)CC1	ZINC000852125819	FE	On-Demand	Anodyne	GPR119	57	45
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC1CCSCC1	ZINC000852125820	EG	On-Demand	Anodyne	ADRB3	19	46
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NC1CCSCC1	ZINC000852125822	EG	On-Demand	Anodyne	ADRB3	19	46
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	CHRM2	18	48
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	DRD2	27	42
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	DRD4	58	45
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	ACHE	46	44
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	HRH2	29	44
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	DRD3	16	42
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	CHRM3	29	48
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	HRH3	23	46
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	SIGMAR1	53	46
CC(=O)C1CCN(Cc2cccc(N)c2)CC1	ZINC000852125865	BE	On-Demand	Anodyne	CACNA1G	38	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCOC3)C2)cc1	ZINC000852125870	DD	On-Demand	Clean	EPHX2	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCOC3)C2)cc1	ZINC000852125870	DD	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCOC3)C2)cc1	ZINC000852125872	DD	On-Demand	Clean	EPHX2	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCOC3)C2)cc1	ZINC000852125872	DD	On-Demand	Clean	MCHR1	15	40
CC(=O)C1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852125921	BF	On-Demand	Mild	PTAFR	42	49
CC(=O)C1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852125922	BF	On-Demand	Mild	PTAFR	42	49
CC(=O)C1CCN(Cc2cccc(OCC(F)(F)F)c2Br)CC1	ZINC000852125930	GI	On-Demand	Anodyne	CACNA1G	39	41
COc1cccc([C@]2(C)CCN(C(=O)NCCCN3CCOC3=O)C2)c1	ZINC000852125939	FE	On-Demand	Anodyne	DRD4	42	32
O=C(CN1CCN(c2ncns2)CC1)NCc1ccccn1	ZINC000852125949	DC	On-Demand	Anodyne	HTR1A	18	45
O=C(CN1CCN(c2ncns2)CC1)NCc1ccccn1	ZINC000852125949	DC	On-Demand	Anodyne	SLC27A1	35	40
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	DRD2	25	44
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	DRD4	47	42
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	ACHE	40	43
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	HRH2	28	42
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	SLC6A3	24	44
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	HRH3	23	42
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	SIGMAR1	48	45
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	MCHR1	35	41
CC(=O)C1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852125968	CH	On-Demand	Anodyne	CACNA1G	40	41
COc1ccc(N2CC[C@H](NC(=O)NC3CCSCC3)C2)cc1	ZINC000852125977	EE	On-Demand	Clean	EPHX2	42	46
O=C(NCCCN1CCOC1=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852125995	EF	On-Demand	Anodyne	P2RX7	20	42
O=C(NCCCN1CCOC1=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852125995	EF	On-Demand	Anodyne	CCR3	16	40
O=C(NCCCN1CCOC1=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852125995	EF	On-Demand	Anodyne	DNAE	76	35
O=C(NCCCN1CCOC1=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852125995	EF	On-Demand	Anodyne	RPA1	58	32
CC(=O)C1CCN(Cc2nsc3ccccc23)CC1	ZINC000852126010	CG	On-Demand	Anodyne	HTR1A	18	40
CC(=O)C1CCN(Cc2nsc3ccccc23)CC1	ZINC000852126010	CG	On-Demand	Anodyne	DRD2	26	43
CC(=O)C1CCN(Cc2nsc3ccccc23)CC1	ZINC000852126010	CG	On-Demand	Anodyne	SIGMAR1	17	40
CC(=O)C1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000852126066	DG	On-Demand	Mild	ABL1	47	38
CC(=O)C1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000852126066	DG	On-Demand	Mild	ABL2	46	37
CC(=O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852126098	CC	On-Demand	Anodyne	CHRM2	31	40
CC(=O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852126098	CC	On-Demand	Anodyne	CHRM3	53	40
CC(=O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852126098	CC	On-Demand	Anodyne	AMY2	52	30
CC(=O)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852126098	CC	On-Demand	Anodyne	CYP2J2	52	37
CC(=O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852126099	CC	On-Demand	Anodyne	CHRM2	31	40
CC(=O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852126099	CC	On-Demand	Anodyne	CHRM3	53	40
CC(=O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852126099	CC	On-Demand	Anodyne	AMY2	52	30
CC(=O)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852126099	CC	On-Demand	Anodyne	CYP2J2	52	37
CC(=O)C1CCN(Cc2cccc(F)c2OC(F)F)CC1	ZINC000852126100	DG	On-Demand	Anodyne	SIGMAR1	19	45
CC(=O)C1CCN(Cc2cccc(F)c2OC(F)F)CC1	ZINC000852126100	DG	On-Demand	Anodyne	CACNA1G	27	41
CC(=O)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852126101	CG	On-Demand	Anodyne	HTR1A	22	44
CC(=O)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852126101	CG	On-Demand	Anodyne	DRD2	31	47
CC(=O)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852126101	CG	On-Demand	Anodyne	HTR2A	38	47
CC(=O)C1CCN(CCSc2ccc(F)cc2F)CC1	ZINC000852126114	CG	On-Demand	Anodyne	DRD2	16	42
CC(=O)C1CCN(CCSc2ccc(F)cc2F)CC1	ZINC000852126114	CG	On-Demand	Anodyne	HTR2A	36	41
CC(=O)C1CCN(CCSc2ccc(F)cc2F)CC1	ZINC000852126114	CG	On-Demand	Anodyne	HTR2C	15	41
O=C(NCCCN1CCOC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126130	GD	On-Demand	Anodyne	ACHE	21	43
O=C(NCCCN1CCOC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126130	GD	On-Demand	Anodyne	HTR4	47	39
O=C(NCCCN1CCOC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126130	GD	On-Demand	Anodyne	SIGMAR1	16	42
O=C(NCCCN1CCOC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126130	GD	On-Demand	Anodyne	CCR3	35	40
O=C(NCCCN1CCOC1=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126130	GD	On-Demand	Anodyne	CACNA1I	45	37
O=C(NCCCN1CCOC1=O)NCCc1nsc2ccccc12	ZINC000852126148	ED	On-Demand	Anodyne	HTR1A	17	40
O=C(NCCCN1CCOC1=O)NCCc1nsc2ccccc12	ZINC000852126148	ED	On-Demand	Anodyne	DRD2	20	40
COc1cccc(OC)c1CNC(=O)NCCCN1CCOC1=O	ZINC000852126250	ED	On-Demand	Anodyne	DRD3	42	36
O=C(NCCCN1CCOC1=O)NCc1cccnc1N1CCCC1	ZINC000852126281	ED	On-Demand	Anodyne	SCN2A	17	41
O=C(NCCCN1CCOC1=O)NCc1cccnc1N1CCCC1	ZINC000852126281	ED	On-Demand	Anodyne	SCN10A	19	41
O=C(NCCCN1CCOC1=O)NCC(F)(F)c1ccc(F)cc1	ZINC000852126282	EE	On-Demand	Anodyne	CCR3	15	41
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	HTR1A	16	42
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	DRD2	15	42
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	DRD4	49	38
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	HTR4	22	45
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	SIGMAR1	24	41
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	CCR3	21	43
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	CCR5	17	45
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	MTNR1A	34	53
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	MTNR1B	41	53
COc1cccc(SCCN2CCC(C(C)=O)CC2)c1	ZINC000852126284	CG	On-Demand	Anodyne	EBP	47	38
COc1ccc([C@@H]2CCCN2C(=O)NCCCN2CCOC2=O)cc1F	ZINC000852126301	FF	On-Demand	Anodyne	ADRA1D	34	40
COc1ccc([C@@H]2CCCN2C(=O)NCCCN2CCOC2=O)cc1F	ZINC000852126301	FF	On-Demand	Anodyne	ADRA1A	54	40
COc1ccc([C@@H]2CCCN2C(=O)NCCCN2CCOC2=O)cc1F	ZINC000852126301	FF	On-Demand	Anodyne	ADRA1B	36	40
CC(=O)C1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1	ZINC000852126356	FG	On-Demand	Anodyne	SLC18A3	61	38
CC(=O)C1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1	ZINC000852126357	FG	On-Demand	Anodyne	SLC18A3	61	38
CC(=O)C1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1	ZINC000852126358	FG	On-Demand	Anodyne	SLC18A3	61	38
CC(=O)C1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1	ZINC000852126359	FG	On-Demand	Anodyne	SLC18A3	61	38
C[C@H](C(=O)Nc1cccnc1Cl)N1CCN(c2ncns2)CC1	ZINC000852126367	FD	On-Demand	Anodyne	G2YM83_BOTF4	52	33
CCCCCCCN1CCN(c2ncns2)CC1	ZINC000852126370	CF	On-Demand	Mild	HTR1A	20	44
COc1ccc2c(CN3CCN(c4ncns4)CC3)cc(=O)oc2c1	ZINC000852126383	FD	On-Demand	Anodyne	CYP19A1	15	52
COc1ccc2c(CN3CCN(c4ncns4)CC3)cc(=O)oc2c1	ZINC000852126383	FD	On-Demand	Anodyne	CYP11B1	19	46
COc1ccc2c(CN3CCN(c4ncns4)CC3)cc(=O)oc2c1	ZINC000852126383	FD	On-Demand	Anodyne	MAOA	49	37
O=[N+]([O-])c1ccc([C@H](O)CN2CCN(c3ncns3)CC2)cc1	ZINC000852126391	ED	On-Demand	Bother	KCNJ1	19	43
O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(c3ncns3)CC2)cc1	ZINC000852126392	ED	On-Demand	Bother	KCNJ1	19	43
O=C(NCCn1cncn1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852126429	ED	On-Demand	Anodyne	SCD1	19	41
O=C(NCCn1cncn1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852126429	ED	On-Demand	Anodyne	SCD	29	41
O=C(NCCn1cncn1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852126429	ED	On-Demand	Anodyne	TRPM8	17	48
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCCOC2)O1	ZINC000852126433	GC	On-Demand	Reactive	DRD4	22	43
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCCOC2)O1	ZINC000852126433	GC	On-Demand	Reactive	SIGMAR1	23	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCCOC2)O1	ZINC000852126435	GC	On-Demand	Reactive	DRD4	22	43
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCCOC2)O1	ZINC000852126435	GC	On-Demand	Reactive	SIGMAR1	23	42
O=C(NCCn1cncn1)NCC1CCN(CC2CC2)CC1	ZINC000852126471	DC	On-Demand	Anodyne	CACNA1I	43	34
O=C(NCCCN1CCN(c2ncns2)CC1)C(F)(F)F	ZINC000852126517	DC	On-Demand	Anodyne	HTR1A	30	40
O=C(NCCCN1CCN(c2ncns2)CC1)C(F)(F)F	ZINC000852126517	DC	On-Demand	Anodyne	DRD2	37	40
O=C(NCCCN1CCN(c2ncns2)CC1)C(F)(F)F	ZINC000852126517	DC	On-Demand	Anodyne	DRD3	53	38
O=C(NCCn1cncn1)N[C@@H](CO)C1CCC1	ZINC000852126536	CB	On-Demand	Anodyne	HIS3	45	35
O=C(NCCn1cncn1)N[C@H](CO)C1CCC1	ZINC000852126537	CB	On-Demand	Anodyne	HIS3	45	35
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2ncns2)CC1	ZINC000852126552	FD	On-Demand	Anodyne	HTR1A	52	45
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2ncns2)CC1	ZINC000852126552	FD	On-Demand	Anodyne	DRD2	37	43
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2ncns2)CC1	ZINC000852126552	FD	On-Demand	Anodyne	HTR2A	29	41
COc1ccc([C@@H]2CCCN2C(=O)NCCn2cncn2)cc1F	ZINC000852126626	ED	On-Demand	Anodyne	ACKR3	56	31
O=C(NCCn1cncn1)N[C@H](CO)c1ccc(F)cc1F	ZINC000852126666	DC	On-Demand	Anodyne	HIS3	48	31
C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852126667	GG	On-Demand	Mild	DRD4	17	42
C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852126667	GG	On-Demand	Mild	CCR3	40	35
C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852126667	GG	On-Demand	Mild	CXCR3	20	43
C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852126667	GG	On-Demand	Mild	MCHR1	17	44
O=C(NCCn1cncn1)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852126668	DC	On-Demand	Anodyne	HIS3	48	31
O=C(NCC1(N2CCCC2)CCOCC1)N[C@H]1C=CCC1	ZINC000852126681	CD	On-Demand	Anodyne	HCN1	43	36
O=C(NCC1(N2CCCC2)CCOCC1)N[C@@H]1C=CCC1	ZINC000852126682	CD	On-Demand	Anodyne	HCN1	43	36
O=C(Cc1ccccc1)OCCN1CCN(c2ncns2)CC1	ZINC000852126688	ED	On-Demand	Anodyne	LTA4H	30	40
O=C(Cc1ccccc1)OCCN1CCN(c2ncns2)CC1	ZINC000852126688	ED	On-Demand	Anodyne	SIGMAR1	16	44
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA2	42	42
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA6	19	40
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA1	44	42
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA7	34	42
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA13	22	40
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA4	21	40
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA12	31	40
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA9	39	40
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CAH_METTE	18	40
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	NCE103	19	40
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	CA15	15	40
NS(=O)(=O)c1ccc(CCN2CCN(c3ncns3)CC2)cc1	ZINC000852126699	FC	On-Demand	Anodyne	A6YCJ1_9METZ	21	40
O=C(NCCn1cncn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126702	EC	On-Demand	Anodyne	ACHE	28	47
O=C(NCCn1cncn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126702	EC	On-Demand	Anodyne	HTR4	38	40
O=C(NCCn1cncn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126702	EC	On-Demand	Anodyne	SIGMAR1	21	43
O=C(NCCn1cncn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126702	EC	On-Demand	Anodyne	SSTR5	41	33
O=C(NCCn1cncn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126702	EC	On-Demand	Anodyne	CCR3	24	40
O=C(NCCn1cncn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852126702	EC	On-Demand	Anodyne	CACNA1I	61	40
NC(=O)c1ccccc1NC(=O)CN1CCN(c2ncns2)CC1	ZINC000852126708	EC	On-Demand	Anodyne	SLC27A1	51	40
O=C(NCCn1cncn1)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852126716	GF	On-Demand	Anodyne	BDKRB1	44	34
O=C(NCCn1cncn1)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852126717	GF	On-Demand	Anodyne	BDKRB1	44	34
N#Cc1cccc(OCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1	ZINC000852126722	GG	On-Demand	Mild	KISS1R	62	38
N#Cc1cccc(OCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1	ZINC000852126722	GG	On-Demand	Mild	PDS	39	46
C=CCN1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852126724	FD	On-Demand	Mild	PDK1	40	34
O=C(NCCn1cncn1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852126730	DC	On-Demand	Anodyne	SIGMAR1	22	40
O=C(NCCn1cncn1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852126731	DC	On-Demand	Anodyne	SIGMAR1	22	40
CC(C)(C)OC(=O)NCCN1CCN(c2ncns2)CC1	ZINC000852126735	DD	On-Demand	Anodyne	HTR1A	25	41
CC(C)(C)OC(=O)NCCN1CCN(c2ncns2)CC1	ZINC000852126735	DD	On-Demand	Anodyne	DRD2	25	55
CC(C)(C)OC(=O)NCCN1CCN(c2ncns2)CC1	ZINC000852126735	DD	On-Demand	Anodyne	DRD4	44	34
CC(C)(C)OC(=O)NCCN1CCN(c2ncns2)CC1	ZINC000852126735	DD	On-Demand	Anodyne	SIRT3	36	40
CC(C)(C)OC(=O)NCCN1CCN(c2ncns2)CC1	ZINC000852126735	DD	On-Demand	Anodyne	SIRT2	31	40
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CCN(c3ncns3)CC2)CC1	ZINC000852126751	GF	On-Demand	Anodyne	CACNA1I	41	32
CC(=O)Nc1ccc(NC(=O)COc2cccc(C#N)c2)cc1Cl	ZINC000852126757	EG	On-Demand	Mild	MCHR1	40	38
CC(=O)Nc1ccc(NC(=O)COc2cccc(C#N)c2)cc1Cl	ZINC000852126757	EG	On-Demand	Mild	ETHR	15	55
CCC(CC)(CNC(=O)NCCn1cncn1)c1ccc(F)cc1	ZINC000852126778	EE	On-Demand	Anodyne	CACNA1G	38	44
CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCN(c3ncns3)CC2)CC1	ZINC000852126789	GD	On-Demand	Anodyne	GPR119	68	43
CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCN(c3ncns3)CC2)CC1	ZINC000852126790	GD	On-Demand	Anodyne	GPR119	68	43
CC(C)(C)OC(=O)N1CCN(CCN2CCN(c3ncns3)CC2)CC1	ZINC000852126794	GD	On-Demand	Anodyne	GPR119	45	43
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ncns3)CC2)c1	ZINC000852126797	FC	On-Demand	Reactive	DRD4	43	37
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ncns3)CC2)c1	ZINC000852126797	FC	On-Demand	Reactive	KCNK3	46	35
O=C(N[C@H]1CCCOC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852126813	GE	On-Demand	Anodyne	EPHX2	25	42
O=C(N[C@@H]1CCCOC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852126814	GE	On-Demand	Anodyne	EPHX2	25	42
O=C(CN1CCN(c2ncns2)CC1)Nc1cccnc1Cl	ZINC000852126817	ED	On-Demand	Anodyne	SLC27A1	42	41
O=C(CN1CCN(c2ncns2)CC1)Nc1cccnc1Cl	ZINC000852126817	ED	On-Demand	Anodyne	G2YM83_BOTF4	57	32
COC(=O)c1nc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1Cl	ZINC000852126829	FD	On-Demand	Anodyne	DRD4	15	40
COC(=O)c1nc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1Cl	ZINC000852126829	FD	On-Demand	Anodyne	CCR2	15	41
COC(=O)c1nc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1Cl	ZINC000852126829	FD	On-Demand	Anodyne	PDK1	40	40
COC(=O)c1nc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)ccc1Cl	ZINC000852126830	FD	On-Demand	Anodyne	DRD4	15	40
COC(=O)c1nc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)ccc1Cl	ZINC000852126830	FD	On-Demand	Anodyne	CCR2	15	41
COC(=O)c1nc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)ccc1Cl	ZINC000852126830	FD	On-Demand	Anodyne	PDK1	40	40
C[C@@H](NC(=O)NCCn1cncn1)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852126833	GG	On-Demand	Anodyne	HIS3	45	43
COc1ccc(N2CC[C@H](NC(=O)NCCn3cc(C)cn3)C2)cc1	ZINC000852126875	ED	On-Demand	Clean	DRD4	44	39
O=C(NCCn1cncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852126877	FE	On-Demand	Anodyne	CNR1	65	50
O=C(NCCn1cncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852126877	FE	On-Demand	Anodyne	DRD3	15	41
O=C(NCCn1cncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852126877	FE	On-Demand	Anodyne	CNR2	21	40
O=C(NCCn1cncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852126877	FE	On-Demand	Anodyne	MC4R	43	39
O=C(NCCn1cncn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852126877	FE	On-Demand	Anodyne	CXCR3	20	44
O=C(NCCn1cncn1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852126901	FE	On-Demand	Anodyne	CNR1	16	42
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCN(c3ncns3)CC2)C1	ZINC000852126916	FE	On-Demand	Anodyne	GPR119	49	42
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCN(c3ncns3)CC2)C1	ZINC000852126919	FE	On-Demand	Anodyne	GPR119	49	42
O=C(CN1CCN(c2ncns2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852126920	GD	On-Demand	Anodyne	SLC27A1	41	36
C[C@@H](NC(=O)NCCn1cncn1)C1CCC(F)CC1	ZINC000852126924	CD	On-Demand	Anodyne	HIS3	44	33
CC[C@@H](C)CCNC(=O)NCCn1cncn1	ZINC000852126931	BD	On-Demand	Anodyne	HIS3	46	35
O=C(CN1CCN(c2ncns2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852126945	GC	On-Demand	Reactive	DRD4	43	34
c1ccc(Cn2cc(CN3CCN(c4ncns4)CC3)nn2)cc1	ZINC000852126948	ED	On-Demand	Anodyne	DRD4	23	46
O=C(NCCn1cncn1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852126956	DD	On-Demand	Anodyne	HIS3	42	37
O=C(NCCn1cncn1)NCc1ccc(Cl)c(Cl)c1	ZINC000852126963	DE	On-Demand	Anodyne	DNAE	83	35
O=C(NCCn1cncn1)NCc1ccc(Cl)c(Cl)c1	ZINC000852126963	DE	On-Demand	Anodyne	RPA1	54	32
CC(C)(C)OC(=O)N1CCC(CCN2CCN(c3ncns3)CC2)CC1	ZINC000852126979	GF	On-Demand	Anodyne	GPR119	58	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126994	FE	On-Demand	Clean	DRD4	26	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126994	FE	On-Demand	Clean	SIGMAR1	28	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126994	FE	On-Demand	Clean	CCR3	37	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126994	FE	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126994	FE	On-Demand	Clean	EPHX2	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126994	FE	On-Demand	Clean	PDK1	41	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126994	FE	On-Demand	Clean	MCHR1	21	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126996	FE	On-Demand	Clean	DRD4	26	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126996	FE	On-Demand	Clean	SIGMAR1	28	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126996	FE	On-Demand	Clean	CCR3	37	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126996	FE	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126996	FE	On-Demand	Clean	EPHX2	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126996	FE	On-Demand	Clean	PDK1	41	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1	ZINC000852126996	FE	On-Demand	Clean	MCHR1	21	42
CC[C@@H](NC(=O)NCCn1cncn1)C1CC1	ZINC000852127015	BC	On-Demand	Anodyne	HIS3	51	35
COc1cccc([C@]2(C)CCN(C(=O)NCCn3cncn3)C2)c1	ZINC000852127018	ED	On-Demand	Anodyne	DRD4	46	35
O=C(NCCn1cncn1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852127046	ED	On-Demand	Anodyne	HIS3	43	31
O=C(NCCn1cncn1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852127049	ED	On-Demand	Anodyne	HIS3	43	31
O=C(NCCn1cncn1)N[C@H](CO)c1cccc(Cl)c1Cl	ZINC000852127058	ED	On-Demand	Anodyne	HIS3	45	32
O=C(NCCn1cncn1)N[C@@H](CO)c1cccc(Cl)c1Cl	ZINC000852127060	ED	On-Demand	Anodyne	HIS3	45	32
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127062	DD	On-Demand	Reactive	F10	17	40
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127064	DD	On-Demand	Reactive	F10	17	40
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC2CC2)C1	ZINC000852127077	FF	On-Demand	Anodyne	DRD4	25	43
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC2CC2)C1	ZINC000852127077	FF	On-Demand	Anodyne	SIGMAR1	21	45
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC2CC2)C1	ZINC000852127080	FF	On-Demand	Anodyne	DRD4	25	43
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC2CC2)C1	ZINC000852127080	FF	On-Demand	Anodyne	SIGMAR1	21	45
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127082	FF	On-Demand	Anodyne	DRD4	25	43
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127082	FF	On-Demand	Anodyne	SIGMAR1	21	45
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127083	FF	On-Demand	Anodyne	DRD4	25	43
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127083	FF	On-Demand	Anodyne	SIGMAR1	21	45
Cc1ccccc1CC(=O)NNC(=O)CN1CCN(c2ncns2)CC1	ZINC000852127090	FC	On-Demand	Reactive	SLC27A1	41	35
O=C(CN1CCN(c2ncns2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852127106	FC	On-Demand	Reactive	SLC27A1	66	40
O=c1cc(CN2CCN(c3ncns3)CC2)c2ccc(O)cc2o1	ZINC000852127108	ED	On-Demand	Anodyne	HSD17B3	35	48
O=C(CN1CCN(c2ncns2)CC1)NNC(=O)c1ccccc1	ZINC000852127112	EC	On-Demand	Reactive	PRNP	45	35
O=C(N[C@H]1CCN(CC2CC2)C1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852127114	GF	On-Demand	Anodyne	CCR2	22	40
O=C(N[C@@H]1CCN(CC2CC2)C1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852127115	GF	On-Demand	Anodyne	CCR2	22	40
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852127122	GE	On-Demand	Anodyne	PRNP	40	39
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852127122	GE	On-Demand	Anodyne	SLC27A1	51	44
CC(C)(C)OC(=O)N1CC(CN2CCN(c3ncns3)CC2)C1	ZINC000852127129	ED	On-Demand	Anodyne	GPR119	41	38
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc2ccccc2c1	ZINC000852127163	FE	On-Demand	Anodyne	ACOX1	52	39
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc2ccccc2c1	ZINC000852127163	FE	On-Demand	Anodyne	IMDH_CRYPV	36	43
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc2ccccc2c1	ZINC000852127163	FE	On-Demand	Anodyne	SLC27A1	48	39
C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127167	FE	On-Demand	Mild	DRD4	23	44
C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127167	FE	On-Demand	Mild	SIGMAR1	24	47
C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127167	FE	On-Demand	Mild	CCR3	22	40
C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127167	FE	On-Demand	Mild	EPHX2	26	45
C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127167	FE	On-Demand	Mild	PDK1	40	34
C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127167	FE	On-Demand	Mild	MCHR1	23	42
C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127168	FE	On-Demand	Mild	DRD4	23	44
C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127168	FE	On-Demand	Mild	SIGMAR1	24	47
C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127168	FE	On-Demand	Mild	CCR3	22	40
C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127168	FE	On-Demand	Mild	EPHX2	26	45
C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127168	FE	On-Demand	Mild	PDK1	40	34
C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852127168	FE	On-Demand	Mild	MCHR1	23	42
O[C@H](CN1CCN(c2ncns2)CC1)c1cccnc1	ZINC000852127202	CC	On-Demand	Anodyne	ADRB3	42	38
O[C@@H](CN1CCN(c2ncns2)CC1)c1cccnc1	ZINC000852127203	CC	On-Demand	Anodyne	ADRB3	42	38
O=C(CCN1CCN(c2ncns2)CC1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852127225	GD	On-Demand	Bother	WDR5	35	40
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852127236	GD	On-Demand	Anodyne	PRNP	40	38
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852127236	GD	On-Demand	Anodyne	MTOR	63	37
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852127236	GD	On-Demand	Anodyne	STAT6	64	34
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852127236	GD	On-Demand	Anodyne	SLC27A1	46	42
O=C(NCC1(N2CCCC2)CCOCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852127239	GD	On-Demand	Anodyne	SMO	15	41
CCC(C)(C)[C@@H](C)NC(=O)NCCn1cncn1	ZINC000852127246	CD	On-Demand	Anodyne	HIS3	76	36
CC(C)c1ccc(NC(=O)CN2CCN(c3ncns3)CC2)cc1	ZINC000852127301	EE	On-Demand	Anodyne	ACOX1	43	36
CC(C)c1ccc(NC(=O)CN2CCN(c3ncns3)CC2)cc1	ZINC000852127301	EE	On-Demand	Anodyne	SLC27A1	40	38
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127323	FF	On-Demand	Anodyne	TACR2	42	37
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127323	FF	On-Demand	Anodyne	SIGMAR1	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127323	FF	On-Demand	Anodyne	CCR3	46	37
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127323	FF	On-Demand	Anodyne	CCR2	21	43
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127324	FF	On-Demand	Anodyne	TACR2	42	37
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127324	FF	On-Demand	Anodyne	SIGMAR1	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127324	FF	On-Demand	Anodyne	CCR3	46	37
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127324	FF	On-Demand	Anodyne	CCR2	21	43
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127325	FF	On-Demand	Anodyne	TACR2	42	37
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127325	FF	On-Demand	Anodyne	SIGMAR1	15	41
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127325	FF	On-Demand	Anodyne	CCR3	46	37
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC2CC2)C1	ZINC000852127325	FF	On-Demand	Anodyne	CCR2	21	43
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127326	FF	On-Demand	Anodyne	TACR2	42	37
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127326	FF	On-Demand	Anodyne	SIGMAR1	15	41
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127326	FF	On-Demand	Anodyne	CCR3	46	37
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC2CC2)C1	ZINC000852127326	FF	On-Demand	Anodyne	CCR2	21	43
CC(C)(C)OC(=O)NCCCN1CCN(c2ncns2)CC1	ZINC000852127334	ED	On-Demand	Anodyne	HTR1A	45	45
CC(C)(C)OC(=O)NCCCN1CCN(c2ncns2)CC1	ZINC000852127334	ED	On-Demand	Anodyne	DRD2	50	56
CC(C)(C)OC(=O)NCCCN1CCN(c2ncns2)CC1	ZINC000852127334	ED	On-Demand	Anodyne	HTR2A	37	41
CC(C)(C)OC(=O)NCCCN1CCN(c2ncns2)CC1	ZINC000852127334	ED	On-Demand	Anodyne	DRD3	74	39
O=C(NCCCc1ccco1)NCCn1cncn1	ZINC000852127338	CC	On-Demand	Anodyne	HIS3	58	33
O=C(NCCc1ccc(I)cc1)NCCn1cncn1	ZINC000852127400	GD	On-Demand	Anodyne	HIS3	43	35
O=C(NCCc1ccc(I)cc1)NCCn1cncn1	ZINC000852127400	GD	On-Demand	Anodyne	HMOX1	16	42
NC(=O)c1c(NC(=O)CN2CCN(c3ncns3)CC2)sc2c1CCC2	ZINC000852127437	GC	On-Demand	Anodyne	SLC27A1	43	44
COC(=O)N(C)CCNC(=O)NCC1(N2CCCC2)CCOCC1	ZINC000852127458	EC	On-Demand	Anodyne	HCN1	59	39
COC(=O)N(C)CCNC(=O)NCC1(N2CCCC2)CCOCC1	ZINC000852127458	EC	On-Demand	Anodyne	HCN4	49	31
CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCN(c3ncns3)CC2)C1	ZINC000852127461	GF	On-Demand	Anodyne	GPR119	40	39
CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCN(c3ncns3)CC2)C1	ZINC000852127463	GF	On-Demand	Anodyne	GPR119	40	39
O=C(NC[C@H](O)c1cccc2ccccc12)NCC1(N2CCCC2)CCOCC1	ZINC000852127465	GF	On-Demand	Anodyne	HCN1	71	42
O=C(NC[C@H](O)c1cccc2ccccc12)NCC1(N2CCCC2)CCOCC1	ZINC000852127465	GF	On-Demand	Anodyne	HCN4	52	34
O=C(NC[C@@H](O)c1cccc2ccccc12)NCC1(N2CCCC2)CCOCC1	ZINC000852127468	GF	On-Demand	Anodyne	HCN1	71	42
O=C(NC[C@@H](O)c1cccc2ccccc12)NCC1(N2CCCC2)CCOCC1	ZINC000852127468	GF	On-Demand	Anodyne	HCN4	52	34
O=C(NCCn1cncn1)NC(CCC(F)(F)F)CCC(F)(F)F	ZINC000852127478	FF	On-Demand	Anodyne	HIS3	77	36
CC(C)(C)OC(=O)N1CC(N2CCN(c3ncns3)CC2)C1	ZINC000852127492	ED	On-Demand	Anodyne	GPR119	39	40
O=C(CCN1CCN(c2ncns2)CC1)OCc1ccccc1	ZINC000852127525	ED	On-Demand	Anodyne	HTR1A	26	40
O=C(CCN1CCN(c2ncns2)CC1)OCc1ccccc1	ZINC000852127525	ED	On-Demand	Anodyne	SLC12A5	49	33
O=C(NCC1(N2CCCC2)CCOCC1)NNc1ccc(Cl)cn1	ZINC000852127533	FE	On-Demand	Reactive	HCN1	71	41
O=C(NCC1(N2CCCC2)CCOCC1)NNc1ccc(Cl)cn1	ZINC000852127533	FE	On-Demand	Reactive	HCN4	52	34
N#Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ncns3)CC2)c1	ZINC000852127576	FB	On-Demand	Reactive	DRD4	40	32
O=C(NCC1(N2CCCC2)CCOCC1)NNC(=O)c1cccc(F)n1	ZINC000852127579	FC	On-Demand	Reactive	HCN1	72	41
O=C(NCC1(N2CCCC2)CCOCC1)NNC(=O)c1cccc(F)n1	ZINC000852127579	FC	On-Demand	Reactive	HCN4	53	34
CC(C)(C)OC(=O)NCCOCCN1CCN(c2ncns2)CC1	ZINC000852127605	FD	On-Demand	Anodyne	HTR1A	20	42
CC(C)(C)OC(=O)NCCOCCN1CCN(c2ncns2)CC1	ZINC000852127605	FD	On-Demand	Anodyne	DRD2	27	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC[C@H]2CCCC[C@@H]21	ZINC000852127611	FD	On-Demand	Anodyne	SLC27A1	49	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC[C@@H]2CCCC[C@@H]21	ZINC000852127614	FD	On-Demand	Anodyne	SLC27A1	49	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC[C@H]2CCCC[C@H]21	ZINC000852127616	FD	On-Demand	Anodyne	SLC27A1	49	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC[C@@H]2CCCC[C@H]21	ZINC000852127618	FD	On-Demand	Anodyne	SLC27A1	49	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1ccc(F)cc1	ZINC000852127621	FD	On-Demand	Anodyne	DRD4	19	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1ccc(F)cc1	ZINC000852127621	FD	On-Demand	Anodyne	MRGPRX1	40	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1ccc(F)cc1	ZINC000852127621	FD	On-Demand	Anodyne	SLC27A1	71	41
CCCN(Cc1ccc(C)cc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852127630	GE	On-Demand	Anodyne	MRGPRX1	44	39
CCCN(Cc1ccc(C)cc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852127630	GE	On-Demand	Anodyne	SLC27A1	46	36
CCCN(CCC)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852127633	DD	On-Demand	Anodyne	SLC27A1	50	36
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1cccc2ccccc12	ZINC000852127637	GF	On-Demand	Anodyne	ACOX1	43	38
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1cccc2ccccc12	ZINC000852127637	GF	On-Demand	Anodyne	SLC27A1	64	36
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1cccc2ccccc12	ZINC000852127640	GF	On-Demand	Anodyne	ACOX1	43	38
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1cccc2ccccc12	ZINC000852127640	GF	On-Demand	Anodyne	SLC27A1	64	36
CC(C)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852127646	FE	On-Demand	Anodyne	NPY2R	58	35
CC(C)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852127646	FE	On-Demand	Anodyne	ACOX1	47	36
CC(C)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852127646	FE	On-Demand	Anodyne	SLC27A1	65	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCC1=CCCCC1	ZINC000852127648	ED	On-Demand	Anodyne	SLC27A1	54	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1ccc(Cl)cc1	ZINC000852127662	GD	On-Demand	Anodyne	DRD4	25	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1ccc(Cl)cc1	ZINC000852127662	GD	On-Demand	Anodyne	ABCC1	71	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1ccc(Cl)cc1	ZINC000852127662	GD	On-Demand	Anodyne	GPBAR1	22	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1ccc(Cl)cc1	ZINC000852127662	GD	On-Demand	Anodyne	MRGPRX1	49	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1ccc(Cl)cc1	ZINC000852127662	GD	On-Demand	Anodyne	SLC27A1	62	36
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852127690	FD	On-Demand	Anodyne	PRNP	41	40
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852127690	FD	On-Demand	Anodyne	SLC27A1	52	44
Cn1cc(CCNC(=O)NCCn2cncn2)c2ccccc21	ZINC000852127694	DD	On-Demand	Anodyne	HIS3	41	35
O=S(=O)(CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852127700	FD	On-Demand	Anodyne	HTR1A	19	44
O=C(NCCC1SCCS1)NCCn1cncn1	ZINC000852127709	CC	On-Demand	Anodyne	HIS3	44	33
CCOc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127718	GD	On-Demand	Anodyne	ACOX1	88	39
CCOc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127718	GD	On-Demand	Anodyne	ABCB1	64	45
CCOc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127721	GD	On-Demand	Anodyne	ACOX1	88	39
CCOc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127721	GD	On-Demand	Anodyne	ABCB1	64	45
O=C(NCc1ncccn1)NCC1(N2CCCC2)CCOCC1	ZINC000852127729	DC	On-Demand	Anodyne	HCN1	66	42
O=C(NCc1ncccn1)NCC1(N2CCCC2)CCOCC1	ZINC000852127729	DC	On-Demand	Anodyne	HCN4	52	35
CC(C)(C)OC(=O)N1CCC(CCCN2CCN(c3ncns3)CC2)CC1	ZINC000852127731	GG	On-Demand	Anodyne	GPR119	56	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC(Cc2ccccc2)CC1	ZINC000852127739	GE	On-Demand	Anodyne	GRIN2B	89	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC(Cc2ccccc2)CC1	ZINC000852127739	GE	On-Demand	Anodyne	CCR3	43	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC(Cc2ccccc2)CC1	ZINC000852127739	GE	On-Demand	Anodyne	SLC27A1	49	35
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852127740	II	On-Demand	Anodyne	PRNP	48	37
O=C(NCCCC1CCC1)NCCn1cncn1	ZINC000852127742	CD	On-Demand	Anodyne	HIS3	25	42
O=C(NCCn1cncn1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852127744	FD	On-Demand	Anodyne	HIS3	46	35
O=C(NCCn1cncn1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852127744	FD	On-Demand	Anodyne	SSTR3	30	44
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852127745	II	On-Demand	Anodyne	PRNP	48	37
Fc1cc(N2CCN(Cc3ccc4ccccc4c3)CC2)ncn1	ZINC000852127752	DG	On-Demand	Anodyne	HTR1A	15	42
Fc1cc(N2CCN(Cc3ccc4ccccc4c3)CC2)ncn1	ZINC000852127752	DG	On-Demand	Anodyne	DRD2	19	44
Fc1cc(N2CCN(Cc3ccc4ccccc4c3)CC2)ncn1	ZINC000852127752	DG	On-Demand	Anodyne	DRD4	40	44
Fc1cc(N2CCN(Cc3ccc4ccccc4c3)CC2)ncn1	ZINC000852127752	DG	On-Demand	Anodyne	DRD3	17	42
Fc1cc(N2CCN(Cc3ccc4ccccc4c3)CC2)ncn1	ZINC000852127752	DG	On-Demand	Anodyne	SIGMAR1	19	44
Fc1cc(N2CCN(Cc3ccc4ccccc4c3)CC2)ncn1	ZINC000852127752	DG	On-Demand	Anodyne	CCR3	15	42
O=C(NCCNC(=O)c1ccc(Br)cn1)NCCn1cncn1	ZINC000852127769	GC	On-Demand	Anodyne	HIS3	43	32
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(SC(F)F)cc1	ZINC000852127770	GF	On-Demand	Anodyne	SLC27A1	40	36
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(Cl)nc1	ZINC000852127784	ED	On-Demand	Anodyne	SLC27A1	47	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1N1CCCC1=O	ZINC000852127789	GD	On-Demand	Anodyne	KCNQ2	65	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1N1CCCC1=O	ZINC000852127789	GD	On-Demand	Anodyne	SLC27A1	69	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)NCc1ccco1	ZINC000852127798	FC	On-Demand	Anodyne	SLC27A1	54	34
CCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852127804	CC	On-Demand	Anodyne	SLC27A1	62	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1SC(F)F	ZINC000852127808	GF	On-Demand	Anodyne	SLC27A1	70	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2c(c1)OCCO2	ZINC000852127828	FD	On-Demand	Anodyne	SLC27A1	64	39
Fc1cc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ncn1	ZINC000852127835	FG	On-Demand	Anodyne	DRD4	25	63
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127836	GE	On-Demand	Anodyne	PRCP	29	42
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127836	GE	On-Demand	Anodyne	AKT2	34	40
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127836	GE	On-Demand	Anodyne	AKT3	64	40
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127836	GE	On-Demand	Anodyne	AKT1	38	40
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127836	GE	On-Demand	Anodyne	SLC27A1	60	33
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127838	GE	On-Demand	Anodyne	PRCP	29	42
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127838	GE	On-Demand	Anodyne	AKT2	34	40
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127838	GE	On-Demand	Anodyne	AKT3	64	40
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127838	GE	On-Demand	Anodyne	AKT1	38	40
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852127838	GE	On-Demand	Anodyne	SLC27A1	60	33
NS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127839	GC	On-Demand	Anodyne	LTA4H	42	38
NS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127839	GC	On-Demand	Anodyne	HTR7	17	42
NS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127839	GC	On-Demand	Anodyne	CA7	23	41
NS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127839	GC	On-Demand	Anodyne	HRH3	19	52
NS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127839	GC	On-Demand	Anodyne	CA12	15	56
NS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852127839	GC	On-Demand	Anodyne	CA9	16	56
Fc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852127840	EF	On-Demand	Anodyne	DRD4	19	40
CN1CCC(N2CC[C@@H](NC(=O)NC[C@H](O)c3cccc4ccccc34)C2)CC1	ZINC000852127849	GE	On-Demand	Anodyne	SLC6A5	22	50
CN1CCC(N2CC[C@@H](NC(=O)NC[C@@H](O)c3cccc4ccccc34)C2)CC1	ZINC000852127852	GE	On-Demand	Anodyne	SLC6A5	22	50
C=CCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852127867	FF	On-Demand	Mild	DRD4	18	44
C=CCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852127867	FF	On-Demand	Mild	SIGMAR1	17	48
C=CCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852127868	FF	On-Demand	Mild	DRD4	18	44
C=CCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852127868	FF	On-Demand	Mild	SIGMAR1	17	48
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	CYSLTR2	47	31
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	SCN2A	15	42
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	MTNR1A	41	44
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	MTNR1B	35	44
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	PLA2G4B	34	41
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	FAAH	56	50
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	CES1	59	44
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	AMP1_PLAFQ	26	44
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	FFAR1	28	47
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	CRTM	70	47
N#Cc1cccc(OCC(=O)NCCCCc2ccccc2)c1	ZINC000852127912	DG	On-Demand	Mild	PDS	61	50
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2ncns2)CC1	ZINC000852127956	FF	On-Demand	Anodyne	HTR1A	47	47
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2ncns2)CC1	ZINC000852127956	FF	On-Demand	Anodyne	DRD2	52	57
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2ncns2)CC1	ZINC000852127956	FF	On-Demand	Anodyne	DRD3	78	40
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	HTR1A	88	63
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	DRD2	55	59
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	DRD4	20	54
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	ADRA1D	15	52
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	HTR2A	37	45
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	ADRA1A	18	52
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	DRD3	35	54
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	DRD5	15	40
O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(c2ncns2)CC1	ZINC000852127960	GF	On-Demand	Anodyne	HTR7	78	52
O=C(NCCn1cncn1)N[C@@H]1CCCC12CCCCC2	ZINC000852127990	CE	On-Demand	Anodyne	HIS3	40	35
O=C(NCCn1cncn1)N[C@H]1CCCC12CCCCC2	ZINC000852127991	CE	On-Demand	Anodyne	HIS3	40	35
O=C(NCCn1cncn1)NCc1cc(Cl)cc(Cl)c1	ZINC000852127994	DE	On-Demand	Anodyne	HIS3	48	32
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1cccs1	ZINC000852128029	ED	On-Demand	Anodyne	SLC27A1	63	35
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1cccs1	ZINC000852128031	ED	On-Demand	Anodyne	SLC27A1	63	35
O=C(NCCn1cncn1)NCC1SCCS1	ZINC000852128036	CC	On-Demand	Anodyne	HIS3	44	32
O=C(NCCn1cncn1)NCc1cccnc1N1CCCC1	ZINC000852128044	DC	On-Demand	Anodyne	SCN2A	18	45
O=C(NCCn1cncn1)NCc1cccnc1N1CCCC1	ZINC000852128044	DC	On-Demand	Anodyne	SCN10A	20	45
CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128064	FE	On-Demand	Anodyne	NPY2R	62	41
CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128065	FE	On-Demand	Anodyne	NPY2R	62	41
CCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128070	GD	On-Demand	Anodyne	SLC27A1	53	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCCCCC1	ZINC000852128072	DD	On-Demand	Anodyne	SLC27A1	60	37
CCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128074	EE	On-Demand	Anodyne	DRD2	20	45
CCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128074	EE	On-Demand	Anodyne	DRD4	20	46
CCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128074	EE	On-Demand	Anodyne	DRD3	16	46
CCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128074	EE	On-Demand	Anodyne	LTA4H	51	42
CCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128074	EE	On-Demand	Anodyne	HRH3	38	40
CCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128074	EE	On-Demand	Anodyne	PSMB2	41	38
CCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128074	EE	On-Demand	Anodyne	PSMB1	43	38
COc1cccc(OC)c1CNC(=O)NCCn1cncn1	ZINC000852128089	DC	On-Demand	Anodyne	HIS3	43	32
O=C(NCCn1cncn1)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852128092	ED	On-Demand	Anodyne	CNR1	15	40
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC(N2CCOC2=O)CC1	ZINC000852128095	GC	On-Demand	Anodyne	CALCRL	35	40
O=C(NCCn1cncn1)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852128096	ED	On-Demand	Anodyne	CNR1	15	40
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCC(N2CCOC2=O)CC1	ZINC000852128097	GC	On-Demand	Anodyne	CALCRL	35	40
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128100	ED	On-Demand	Anodyne	HTR1A	32	45
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128100	ED	On-Demand	Anodyne	DRD2	36	45
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128100	ED	On-Demand	Anodyne	DRD4	57	43
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128100	ED	On-Demand	Anodyne	DRD3	36	43
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128100	ED	On-Demand	Anodyne	CHRM3	15	45
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128100	ED	On-Demand	Anodyne	HTR7	15	42
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128100	ED	On-Demand	Anodyne	BDKRB1	17	40
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128100	ED	On-Demand	Anodyne	FAAH	22	42
CCCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128106	FF	On-Demand	Anodyne	DRD2	18	45
CCCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128106	FF	On-Demand	Anodyne	DRD4	19	46
CCCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128106	FF	On-Demand	Anodyne	LTA4H	47	45
CCCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128106	FF	On-Demand	Anodyne	HRH3	34	40
CCCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128106	FF	On-Demand	Anodyne	PSMB2	41	38
CCCOc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128106	FF	On-Demand	Anodyne	PSMB1	43	38
C=CCN(CC=C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128111	DC	On-Demand	Mild	SLC27A1	41	33
CC[C@H]1CCCCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128112	ED	On-Demand	Anodyne	SLC27A1	40	32
CC[C@@H]1CCCCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128113	ED	On-Demand	Anodyne	SLC27A1	40	32
Fc1cc(N2CCN(Cc3cccc4ccccc34)CC2)ncn1	ZINC000852128114	DG	On-Demand	Anodyne	DRD2	16	49
Fc1cc(N2CCN(Cc3cccc4ccccc34)CC2)ncn1	ZINC000852128114	DG	On-Demand	Anodyne	DRD4	34	49
Fc1cc(N2CCN(Cc3cccc4ccccc34)CC2)ncn1	ZINC000852128114	DG	On-Demand	Anodyne	DRD3	17	49
Fc1cc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)ncn1	ZINC000852128116	EF	On-Demand	Anodyne	DRD4	24	50
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1	ZINC000852128118	EC	On-Demand	Anodyne	SLC6A5	21	46
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C2CCN(C)CC2)C1	ZINC000852128119	EC	On-Demand	Anodyne	SLC6A5	21	46
Fc1cc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)ncn1	ZINC000852128120	EE	On-Demand	Anodyne	DRD4	47	61
CN1CCC(N2CC[C@@H](NC(=O)NCC3SCCS3)C2)CC1	ZINC000852128121	ED	On-Demand	Anodyne	SLC6A5	19	44
CN1CCC(N2CC[C@@H](NC(=O)NNc3ccc(Cl)cn3)C2)CC1	ZINC000852128135	FD	On-Demand	Reactive	SLC6A5	24	55
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccco1	ZINC000852128137	DC	On-Demand	Anodyne	SLC27A1	63	37
CN1CCC(N2CC[C@@H](NC(=O)NC[C@]34OCCC[C@H]3C4(F)F)C2)CC1	ZINC000852128143	FD	On-Demand	Anodyne	SLC6A5	19	42
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	CHRM2	15	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	DRD2	15	48
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	CNR1	17	49
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	DRD4	52	55
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	ACHE	19	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	CHRM3	19	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	MC4R	16	45
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	SIGMAR1	34	46
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	MCHR1	36	46
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128146	JG	On-Demand	Anodyne	BIRC2	44	43
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	CHRM2	15	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	DRD2	15	48
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	CNR1	17	49
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	DRD4	52	55
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	ACHE	19	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	CHRM3	19	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	MC4R	16	45
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	SIGMAR1	34	46
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	MCHR1	36	46
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128147	JG	On-Demand	Anodyne	BIRC2	44	43
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	CHRM2	15	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	DRD2	15	48
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	CNR1	17	49
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	DRD4	52	55
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	ACHE	19	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	CHRM3	19	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	MC4R	16	45
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	SIGMAR1	34	46
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	MCHR1	36	46
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852128148	JG	On-Demand	Anodyne	BIRC2	44	43
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	CHRM2	15	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	DRD2	15	48
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	CNR1	17	49
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	DRD4	52	55
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	ACHE	19	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	CHRM3	19	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	MC4R	16	45
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	SIGMAR1	34	46
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	MCHR1	36	46
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852128149	JG	On-Demand	Anodyne	BIRC2	44	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@H]1CCCO1	ZINC000852128153	DC	On-Demand	Anodyne	TNK2	48	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@H]1CCCO1	ZINC000852128153	DC	On-Demand	Anodyne	SLC27A1	43	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@@H]1CCCO1	ZINC000852128154	DC	On-Demand	Anodyne	TNK2	48	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@@H]1CCCO1	ZINC000852128154	DC	On-Demand	Anodyne	SLC27A1	43	37
COC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128161	FB	On-Demand	Anodyne	SLC27A1	41	35
COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128162	FB	On-Demand	Anodyne	SLC27A1	41	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCc2sccc2C1	ZINC000852128163	FD	On-Demand	Anodyne	SLC27A1	61	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(N3CCCC3)CCOCC2)O1	ZINC000852128171	GB	On-Demand	Reactive	HCN1	62	39
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(N3CCCC3)CCOCC2)O1	ZINC000852128171	GB	On-Demand	Reactive	HCN4	48	31
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(N3CCCC3)CCOCC2)O1	ZINC000852128173	GB	On-Demand	Reactive	HCN1	62	39
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(N3CCCC3)CCOCC2)O1	ZINC000852128173	GB	On-Demand	Reactive	HCN4	48	31
O=C(NCCn1cncn1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852128178	EE	On-Demand	Anodyne	HIS3	43	38
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852128179	GF	On-Demand	Anodyne	ACOX1	37	44
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852128179	GF	On-Demand	Anodyne	PRNP	52	44
O=C(CN1CCN(c2ncns2)CC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852128179	GF	On-Demand	Anodyne	SLC27A1	45	41
C[C@@H](NC(=O)NCCn1cncn1)c1cscn1	ZINC000852128188	CC	On-Demand	Anodyne	HIS3	63	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(N2CCCC2=O)c1	ZINC000852128218	GD	On-Demand	Anodyne	SLC27A1	63	38
Cc1ccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1F	ZINC000852128219	FD	On-Demand	Anodyne	ABCC1	54	34
Cc1ccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1F	ZINC000852128219	FD	On-Demand	Anodyne	SLC27A1	63	35
CCOC(=O)N1CCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852128231	GC	On-Demand	Anodyne	SLC27A1	54	33
O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128240	GD	On-Demand	Bother	ACOX1	78	37
O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128240	GD	On-Demand	Bother	ABCB1	58	46
O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128241	GD	On-Demand	Bother	ACOX1	78	37
O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128241	GD	On-Demand	Bother	ABCB1	58	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1CCCCC1	ZINC000852128245	ED	On-Demand	Anodyne	CACNA1I	43	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1CCCCC1	ZINC000852128245	ED	On-Demand	Anodyne	SLC27A1	63	38
CN1CCC(N2CC[C@@H](NC(=O)N[C@H]3C=CCC3)C2)CC1	ZINC000852128252	CD	On-Demand	Anodyne	SLC6A5	22	48
CN1CCC(N2CC[C@@H](NC(=O)N[C@@H]3C=CCC3)C2)CC1	ZINC000852128253	CD	On-Demand	Anodyne	SLC6A5	22	48
CC(C)c1ccc(CCNC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128254	GE	On-Demand	Anodyne	MRGPRX1	40	34
CC(C)c1ccc(CCNC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128254	GE	On-Demand	Anodyne	SLC27A1	60	34
COc1ccc(N2CC[C@H](NC(=O)NCC3(N(C)C)CCOCC3)C2)cc1	ZINC000852128259	GD	On-Demand	Clean	MTNR1A	17	44
COc1ccc(N2CC[C@H](NC(=O)NCC3(N(C)C)CCOCC3)C2)cc1	ZINC000852128259	GD	On-Demand	Clean	MTNR1B	18	44
COCCN(CCF)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1	ZINC000852128262	EC	On-Demand	Anodyne	SLC6A5	20	43
C[C@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128263	ED	On-Demand	Anodyne	SLC27A1	51	33
Fc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)ncn1	ZINC000852128275	DF	On-Demand	Anodyne	HTR1A	22	52
Fc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)ncn1	ZINC000852128275	DF	On-Demand	Anodyne	DRD2	25	47
Fc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)ncn1	ZINC000852128275	DF	On-Demand	Anodyne	DRD4	57	47
Fc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)ncn1	ZINC000852128275	DF	On-Demand	Anodyne	DRD3	16	47
Fc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)ncn1	ZINC000852128275	DF	On-Demand	Anodyne	SIGMAR1	22	59
N#Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128276	FD	On-Demand	Mild	ACOX1	78	36
N#Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128276	FD	On-Demand	Mild	ABCB1	51	44
N#Cc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128277	FD	On-Demand	Mild	ACOX1	78	36
N#Cc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128277	FD	On-Demand	Mild	ABCB1	51	44
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128300	GD	On-Demand	Anodyne	SLC27A1	50	33
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128302	GD	On-Demand	Anodyne	SLC27A1	50	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1CC1	ZINC000852128304	CC	On-Demand	Anodyne	SLC27A1	63	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)O1	ZINC000852128305	GB	On-Demand	Reactive	SLC6A5	18	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)O1	ZINC000852128306	GB	On-Demand	Reactive	SLC6A5	18	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)O1	ZINC000852128307	GB	On-Demand	Reactive	SLC6A5	18	42
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)O1	ZINC000852128308	GB	On-Demand	Reactive	SLC6A5	18	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	HTR1A	32	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	DRD2	37	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	DRD4	31	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	HTR2A	26	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	DRD3	56	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	HTR7	23	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	SIGMAR1	20	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	MRGPRX1	40	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCc1ccccc1	ZINC000852128318	FD	On-Demand	Anodyne	SLC27A1	64	37
CCCCN(CCCC)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128319	FE	On-Demand	Anodyne	SLC27A1	41	35
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)ncn1	ZINC000852128340	FG	On-Demand	Anodyne	DRD2	16	44
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)ncn1	ZINC000852128340	FG	On-Demand	Anodyne	HTR2A	17	41
COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128341	GC	On-Demand	Anodyne	ACOX1	89	41
COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128341	GC	On-Demand	Anodyne	ABCB1	65	50
COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128342	GC	On-Demand	Anodyne	ACOX1	89	41
COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128342	GC	On-Demand	Anodyne	ABCB1	65	50
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCCc2ccccc21	ZINC000852128343	FD	On-Demand	Anodyne	DRD4	27	54
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCCc2ccccc21	ZINC000852128343	FD	On-Demand	Anodyne	EIF2AK3	57	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCCc2ccccc21	ZINC000852128343	FD	On-Demand	Anodyne	SLC27A1	52	37
Fc1cc(N2CCN(CCOc3ccc(Br)cc3)CC2)ncn1	ZINC000852128344	GF	On-Demand	Anodyne	LTA4H	46	51
Fc1cc(N2CCN(CCOc3ccc(Br)cc3)CC2)ncn1	ZINC000852128344	GF	On-Demand	Anodyne	HRH3	23	40
Fc1cc(N2CCN(CCOc3ccc(Br)cc3)CC2)ncn1	ZINC000852128344	GF	On-Demand	Anodyne	PSMB1	42	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCSc1ccccc1	ZINC000852128345	GE	On-Demand	Anodyne	HTR1A	17	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCSc1ccccc1	ZINC000852128345	GE	On-Demand	Anodyne	DRD2	20	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCSc1ccccc1	ZINC000852128345	GE	On-Demand	Anodyne	DRD4	17	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCSc1ccccc1	ZINC000852128345	GE	On-Demand	Anodyne	DRD3	39	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCSc1ccccc1	ZINC000852128345	GE	On-Demand	Anodyne	SLC27A1	50	33
Cc1oc(-c2ccccc2)nc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128348	FF	On-Demand	Anodyne	PPARG	71	39
Cc1oc(-c2ccccc2)nc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128348	FF	On-Demand	Anodyne	PPARA	74	39
Cc1oc(-c2ccccc2)nc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128348	FF	On-Demand	Anodyne	PDE8B	65	37
N#CC1(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)CCCCC1	ZINC000852128360	ED	On-Demand	Mild	SLC27A1	46	34
CCc1ccc([C@H](C)NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128361	FE	On-Demand	Anodyne	SLC27A1	61	35
Fc1cc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)ncn1	ZINC000852128366	EG	On-Demand	Anodyne	DRD4	34	42
Fc1cc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)ncn1	ZINC000852128366	EG	On-Demand	Anodyne	SIGMAR1	22	55
Fc1cc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)ncn1	ZINC000852128374	EG	On-Demand	Anodyne	DRD2	18	41
Fc1cc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)ncn1	ZINC000852128374	EG	On-Demand	Anodyne	DRD4	36	41
Fc1cc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)ncn1	ZINC000852128374	EG	On-Demand	Anodyne	DRD3	20	41
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852128382	FC	On-Demand	Anodyne	CALCRL	33	42
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852128383	FC	On-Demand	Anodyne	CALCRL	33	42
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852128384	FC	On-Demand	Anodyne	CALCRL	33	42
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852128385	FC	On-Demand	Anodyne	CALCRL	33	42
Cc1ccccc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128386	CE	On-Demand	Anodyne	DRD4	47	38
Fc1cc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)ncn1	ZINC000852128390	ED	On-Demand	Anodyne	ADORA2A	35	43
Cc1ccccc1CNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128408	ED	On-Demand	Anodyne	HTR7	30	40
Cc1ccccc1CNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128408	ED	On-Demand	Anodyne	P2RX7	36	42
Cc1ccccc1CNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128408	ED	On-Demand	Anodyne	SLC27A1	62	37
Fc1cc(N2CCN(CCOc3ccc4ccccc4c3)CC2)ncn1	ZINC000852128409	FF	On-Demand	Anodyne	HTR1A	31	46
Fc1cc(N2CCN(CCOc3ccc4ccccc4c3)CC2)ncn1	ZINC000852128409	FF	On-Demand	Anodyne	DRD2	34	46
Fc1cc(N2CCN(CCOc3ccc4ccccc4c3)CC2)ncn1	ZINC000852128409	FF	On-Demand	Anodyne	DRD4	30	46
Fc1cc(N2CCN(CCOc3ccc4ccccc4c3)CC2)ncn1	ZINC000852128409	FF	On-Demand	Anodyne	HTR2A	23	46
Fc1cc(N2CCN(CCOc3ccc4ccccc4c3)CC2)ncn1	ZINC000852128409	FF	On-Demand	Anodyne	DRD3	30	46
Fc1cc(N2CCN(CCOc3ccc4ccccc4c3)CC2)ncn1	ZINC000852128409	FF	On-Demand	Anodyne	LTA4H	53	41
Fc1cc(N2CCN(CCOc3ccc4ccccc4c3)CC2)ncn1	ZINC000852128409	FF	On-Demand	Anodyne	HTR7	19	46
Fc1cc(N2CCN(CCOc3ccc4ccccc4c3)CC2)ncn1	ZINC000852128409	FF	On-Demand	Anodyne	PSMB1	40	36
CN1CCC(N2CC[C@@H](NC(=O)NCCC3SCCS3)C2)CC1	ZINC000852128416	FD	On-Demand	Anodyne	SLC6A5	21	45
CC[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128426	CC	On-Demand	Anodyne	SLC27A1	62	35
COC(=O)c1sccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128432	GD	On-Demand	Anodyne	SLC27A1	67	39
COC(=O)c1sccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128432	GD	On-Demand	Anodyne	FAS	37	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccccc1	ZINC000852128433	FC	On-Demand	Anodyne	HTR1A	22	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccccc1	ZINC000852128433	FC	On-Demand	Anodyne	DRD4	43	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccccc1	ZINC000852128433	FC	On-Demand	Anodyne	DRD3	43	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccccc1	ZINC000852128433	FC	On-Demand	Anodyne	SLC27A1	54	35
C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128434	FE	On-Demand	Anodyne	DRD2	15	49
C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128434	FE	On-Demand	Anodyne	DRD4	40	57
C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128434	FE	On-Demand	Anodyne	SLC27A1	52	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1CCCCCC1	ZINC000852128442	ED	On-Demand	Anodyne	SLC27A1	64	37
CN(Cc1ccc(Cl)s1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128450	GE	On-Demand	Anodyne	SLC27A1	55	39
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128454	ED	On-Demand	Anodyne	DRD2	29	44
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128454	ED	On-Demand	Anodyne	DRD4	56	38
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128454	ED	On-Demand	Anodyne	DRD3	31	41
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128454	ED	On-Demand	Anodyne	SIGMAR1	18	48
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128454	ED	On-Demand	Anodyne	SSTR5	40	36
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128454	ED	On-Demand	Anodyne	ABCC1	33	43
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128454	ED	On-Demand	Anodyne	ABCB1A	15	43
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128454	ED	On-Demand	Anodyne	SLC27A1	40	32
CCCCC[C@@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128460	ED	On-Demand	Anodyne	NOD1	46	32
CCCCC[C@@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128460	ED	On-Demand	Anodyne	SLC27A1	54	33
COC(=O)C1CCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852128478	FC	On-Demand	Anodyne	PTR1	44	31
COC(=O)C1CCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852128478	FC	On-Demand	Anodyne	SLC27A1	49	33
CN1CCC(N2CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C2)CC1	ZINC000852128492	GC	On-Demand	Anodyne	SLC6A5	21	46
CN1CCC(N2CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C2)CC1	ZINC000852128493	GC	On-Demand	Anodyne	SLC6A5	21	46
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128494	FD	On-Demand	Anodyne	ACOX1	89	41
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128494	FD	On-Demand	Anodyne	ABCB1	69	52
CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128495	FD	On-Demand	Anodyne	ACOX1	89	41
CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128495	FD	On-Demand	Anodyne	ABCB1	69	52
CN1CCC(N2CC[C@@H](NC(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)CC1	ZINC000852128496	FC	On-Demand	Anodyne	SLC6A5	18	43
CN1CCC(N2CC[C@@H](NC(=O)N3CC[C@H](N4CCOC4=O)C3)C2)CC1	ZINC000852128499	FC	On-Demand	Anodyne	SLC6A5	18	43
N#Cc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128500	CD	On-Demand	Mild	DRD4	25	44
CCN1CCC(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852128501	FC	On-Demand	Anodyne	SLC27A1	57	34
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128514	FD	On-Demand	Anodyne	DRD2	21	60
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128514	FD	On-Demand	Anodyne	DRD4	48	63
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128514	FD	On-Demand	Anodyne	TPP2	57	33
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128514	FD	On-Demand	Anodyne	SLC27A1	49	34
CCC[C@H](NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852128519	GF	On-Demand	Anodyne	NPY2R	57	37
CCC[C@@H](NC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852128520	GF	On-Demand	Anodyne	NPY2R	57	37
CCC[C@H](NC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852128522	GF	On-Demand	Anodyne	NPY2R	57	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCOCC1	ZINC000852128523	DB	On-Demand	Anodyne	SLC27A1	49	33
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	MME	45	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	TACR1	15	42
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	CMA1	57	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	CTRA_BOVIN	50	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	TPH1	42	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	CTRC	41	36
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	ACE2	54	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	BLA1_STEMA	40	32
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	PSMB8	55	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128526	GD	On-Demand	Anodyne	SLC27A1	63	36
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	MME	45	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	TACR1	15	42
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	CMA1	57	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	CTRA_BOVIN	50	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	TPH1	42	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	CTRC	41	36
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	ACE2	54	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	BLA1_STEMA	40	32
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	PSMB8	55	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128527	GD	On-Demand	Anodyne	SLC27A1	63	36
CC(=O)N1CCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852128528	FB	On-Demand	Anodyne	SLC27A1	52	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cccs1	ZINC000852128531	ED	On-Demand	Anodyne	SLC27A1	64	36
CCN(C(=O)CN1CCN(c2cc(F)ncn2)CC1)C1CCCCC1	ZINC000852128537	ED	On-Demand	Anodyne	SLC27A1	50	35
CCN(Cc1ccccc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128538	FD	On-Demand	Anodyne	TSPO	23	41
CCN(Cc1ccccc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128538	FD	On-Demand	Anodyne	MRGPRX1	46	44
CCN(Cc1ccccc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128538	FD	On-Demand	Anodyne	SLC27A1	54	39
O[C@H](COc1ccc(F)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128543	FD	On-Demand	Anodyne	DRD4	19	41
O[C@H](COc1ccc(F)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128543	FD	On-Demand	Anodyne	ACOX1	87	44
O[C@H](COc1ccc(F)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128543	FD	On-Demand	Anodyne	ABCB1	70	54
O[C@@H](COc1ccc(F)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128544	FD	On-Demand	Anodyne	DRD4	19	41
O[C@@H](COc1ccc(F)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128544	FD	On-Demand	Anodyne	ACOX1	87	44
O[C@@H](COc1ccc(F)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128544	FD	On-Demand	Anodyne	ABCB1	70	54
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852128546	ED	On-Demand	Anodyne	SLC27A1	49	33
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852128547	ED	On-Demand	Anodyne	SLC27A1	49	33
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc2ccccc2c1	ZINC000852128552	GF	On-Demand	Anodyne	ACOX1	46	52
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc2ccccc2c1	ZINC000852128552	GF	On-Demand	Anodyne	TPH1	36	41
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc2ccccc2c1	ZINC000852128552	GF	On-Demand	Anodyne	SLC27A1	63	36
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc2ccccc2c1	ZINC000852128553	GF	On-Demand	Anodyne	ACOX1	46	52
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc2ccccc2c1	ZINC000852128553	GF	On-Demand	Anodyne	TPH1	36	41
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc2ccccc2c1	ZINC000852128553	GF	On-Demand	Anodyne	SLC27A1	63	36
Fc1cc(N2CCN(Cc3ccccc3F)CC2)ncn1	ZINC000852128555	CE	On-Demand	Anodyne	DRD4	43	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@H]1COc2ccccc2O1	ZINC000852128556	GC	On-Demand	Anodyne	ADRA2B	16	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@H]1COc2ccccc2O1	ZINC000852128556	GC	On-Demand	Anodyne	SLC27A1	49	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@@H]1COc2ccccc2O1	ZINC000852128557	GC	On-Demand	Anodyne	ADRA2B	16	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@@H]1COc2ccccc2O1	ZINC000852128557	GC	On-Demand	Anodyne	SLC27A1	49	35
CCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128570	CB	On-Demand	Anodyne	SLC27A1	66	36
CCN(CC)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128571	CC	On-Demand	Anodyne	SLC27A1	51	37
C=CCNC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128574	DB	On-Demand	Mild	SLC27A1	42	33
C#CCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128583	CB	On-Demand	Mild	SLC27A1	63	35
Fc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852128592	EE	On-Demand	Anodyne	HTR1A	35	46
Fc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852128592	EE	On-Demand	Anodyne	DRD2	33	48
Fc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852128592	EE	On-Demand	Anodyne	DRD4	42	34
Fc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852128592	EE	On-Demand	Anodyne	HTR2A	26	45
Fc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852128592	EE	On-Demand	Anodyne	DRD3	26	42
Fc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852128592	EE	On-Demand	Anodyne	LTA4H	37	45
Fc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852128592	EE	On-Demand	Anodyne	HTR7	23	41
Fc1cc(N2CCN(CCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852128592	EE	On-Demand	Anodyne	HRH3	15	52
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1C2CC3CC(C2)CC1C3	ZINC000852128597	FD	On-Demand	Anodyne	HSD11B1	41	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1C2CC3CC(C2)CC1C3	ZINC000852128597	FD	On-Demand	Anodyne	SLC27A1	48	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1OC(F)F	ZINC000852128599	GD	On-Demand	Anodyne	DRD4	18	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1OC(F)F	ZINC000852128599	GD	On-Demand	Anodyne	SLC27A1	69	40
Cc1ccc([C@H](C)NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1C	ZINC000852128609	FE	On-Demand	Anodyne	ACOX1	22	42
Cc1ccc([C@H](C)NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1C	ZINC000852128609	FE	On-Demand	Anodyne	SLC27A1	58	35
Fc1cc(N2CCN(CCOc3cc(Cl)ccc3Cl)CC2)ncn1	ZINC000852128615	FG	On-Demand	Anodyne	DRD2	15	42
CS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128617	GC	On-Demand	Anodyne	SLC27A1	61	36
CCCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128618	DD	On-Demand	Anodyne	HTR1A	15	41
CCCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128618	DD	On-Demand	Anodyne	ASAH1	79	34
CCCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128618	DD	On-Demand	Anodyne	SLC27A1	61	34
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852128623	DF	On-Demand	Anodyne	P2RX7	51	39
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	HTR1A	53	43
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	DRD2	50	43
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	DRD1	19	43
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	DRD4	47	43
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	HTR2A	25	43
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	DRD3	45	43
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	LTA4H	21	44
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	HTR7	28	43
Fc1cc(N2CCN(CCOc3ccccc3F)CC2)ncn1	ZINC000852128629	DD	On-Demand	Anodyne	DCK	34	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2c(c1)OCCCO2	ZINC000852128635	GD	On-Demand	Anodyne	SLC27A1	62	40
Fc1cc(N2CCN(Cc3ccccc3Cl)CC2)ncn1	ZINC000852128640	DF	On-Demand	Anodyne	DRD2	18	44
Fc1cc(N2CCN(Cc3ccccc3Cl)CC2)ncn1	ZINC000852128640	DF	On-Demand	Anodyne	DRD4	49	44
Fc1cc(N2CCN(Cc3ccccc3Cl)CC2)ncn1	ZINC000852128640	DF	On-Demand	Anodyne	DRD3	19	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc2C1	ZINC000852128643	FD	On-Demand	Anodyne	HTR7	15	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc2C1	ZINC000852128643	FD	On-Demand	Anodyne	DPP8	20	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc2C1	ZINC000852128643	FD	On-Demand	Anodyne	SLC27A1	53	36
C[C@@H]1[C@@H](NC(=O)CN2CCN(c3cc(F)ncn3)CC2)CCC[C@H]1C	ZINC000852128644	ED	On-Demand	Anodyne	SLC27A1	52	34
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128646	ED	On-Demand	Anodyne	SLC27A1	52	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccon1	ZINC000852128648	DC	On-Demand	Anodyne	SLC27A1	69	45
Fc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ncn1	ZINC000852128654	GH	On-Demand	Anodyne	HTR1A	18	41
Fc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ncn1	ZINC000852128654	GH	On-Demand	Anodyne	DRD2	20	40
Fc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ncn1	ZINC000852128654	GH	On-Demand	Anodyne	DRD4	31	40
Fc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ncn1	ZINC000852128654	GH	On-Demand	Anodyne	SLC6A4	32	51
Fc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ncn1	ZINC000852128654	GH	On-Demand	Anodyne	DRD3	15	40
Fc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ncn1	ZINC000852128654	GH	On-Demand	Anodyne	SLC6A3	79	60
Fc1cc(N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)ncn1	ZINC000852128654	GH	On-Demand	Anodyne	SIGMAR1	15	50
Fc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128658	CE	On-Demand	Anodyne	DRD2	18	55
Fc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128658	CE	On-Demand	Anodyne	DRD4	35	55
Fc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128658	CE	On-Demand	Anodyne	SIGMAR1	15	50
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	HTR1A	71	39
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	DRD2	61	40
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	DRD4	55	45
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	ADRA1D	46	36
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	ADRA1A	45	37
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	DRD3	68	39
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	HTR7	56	37
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	ALS	41	35
COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128661	FD	On-Demand	Anodyne	SLC27A1	61	36
COc1ccc(CN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)C2CC2)cc1	ZINC000852128665	GD	On-Demand	Anodyne	MRGPRX1	41	36
COc1ccc(CN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)C2CC2)cc1	ZINC000852128665	GD	On-Demand	Anodyne	SLC27A1	51	36
CN1CCC(N2CC[C@@H](NC(=O)N[C@@H]3COC4(CCC4)C3)C2)CC1	ZINC000852128674	ED	On-Demand	Anodyne	SLC6A5	17	41
CN1CCC(N2CC[C@@H](NC(=O)N[C@H]3COC4(CCC4)C3)C2)CC1	ZINC000852128676	ED	On-Demand	Anodyne	SLC6A5	17	41
CN1CCC(N2CC[C@@H](NC(=O)NNC(=O)c3cccc(F)n3)C2)CC1	ZINC000852128679	FC	On-Demand	Reactive	SLC6A5	23	49
O=C(CN1CCN(c2cc(F)ncn2)CC1)N(Cc1ccco1)c1ccccc1	ZINC000852128683	GF	On-Demand	Anodyne	MRGPRX1	39	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1CCCCCCC1	ZINC000852128686	ED	On-Demand	Anodyne	SLC27A1	64	37
CN1CCC(N2CC[C@@H](NC(=O)NCc3ncccn3)C2)CC1	ZINC000852128694	DC	On-Demand	Anodyne	CCR2	15	43
CN1CCC(N2CC[C@@H](NC(=O)NCc3ncccn3)C2)CC1	ZINC000852128694	DC	On-Demand	Anodyne	SLC6A5	23	52
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)[C@H]1C[C@H]2CC[C@H]1C2	ZINC000852128701	FD	On-Demand	Anodyne	SLC27A1	41	33
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2	ZINC000852128702	FD	On-Demand	Anodyne	SLC27A1	41	33
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2	ZINC000852128703	FD	On-Demand	Anodyne	SLC27A1	41	33
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)[C@H]1C[C@H]2CC[C@H]1C2	ZINC000852128704	FD	On-Demand	Anodyne	SLC27A1	41	33
Fc1cc(N2CCN(Cc3cccc(Br)c3)CC2)ncn1	ZINC000852128712	FF	On-Demand	Anodyne	DRD4	22	46
CC(C)(C)NC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128719	EC	On-Demand	Anodyne	CACNA1H	18	40
CC(C)(C)NC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128719	EC	On-Demand	Anodyne	SLC27A1	61	34
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1Cl	ZINC000852128720	GE	On-Demand	Anodyne	PRCP	15	41
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1Cl	ZINC000852128720	GE	On-Demand	Anodyne	SLC27A1	56	33
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1Cl	ZINC000852128721	GE	On-Demand	Anodyne	PRCP	15	41
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1Cl	ZINC000852128721	GE	On-Demand	Anodyne	SLC27A1	56	33
O[C@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128726	ED	On-Demand	Anodyne	ADRB2	20	42
O[C@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128726	ED	On-Demand	Anodyne	DRD4	21	51
O[C@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128726	ED	On-Demand	Anodyne	ADRB3	15	45
O[C@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128726	ED	On-Demand	Anodyne	ACOX1	83	40
O[C@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128726	ED	On-Demand	Anodyne	ABCB1	80	52
O[C@@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128727	ED	On-Demand	Anodyne	ADRB2	20	42
O[C@@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128727	ED	On-Demand	Anodyne	DRD4	21	51
O[C@@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128727	ED	On-Demand	Anodyne	ADRB3	15	45
O[C@@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128727	ED	On-Demand	Anodyne	ACOX1	83	40
O[C@@H](COc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128727	ED	On-Demand	Anodyne	ABCB1	80	52
Fc1cc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)ncn1	ZINC000852128728	EE	On-Demand	Anodyne	DRD4	17	48
O=C(NCc1ncccn1)N[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000852128729	DC	On-Demand	Anodyne	CALCRL	21	41
O=C(NCc1ncccn1)N[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000852128730	DC	On-Demand	Anodyne	CALCRL	21	41
COc1ccccc1NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128731	FD	On-Demand	Anodyne	KCNQ2	40	33
COc1ccccc1NC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128732	FD	On-Demand	Anodyne	KCNQ2	40	33
CCOC(=O)CCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128736	FC	On-Demand	Anodyne	SLC27A1	40	31
C[C@@H]1CCCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852128737	DC	On-Demand	Anodyne	SLC27A1	50	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc21	ZINC000852128740	ED	On-Demand	Anodyne	DRD4	32	53
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc21	ZINC000852128740	ED	On-Demand	Anodyne	EIF2AK3	83	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc21	ZINC000852128740	ED	On-Demand	Anodyne	SLC27A1	54	36
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128749	GC	On-Demand	Anodyne	FKBP1A	44	36
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128749	GC	On-Demand	Anodyne	CPT1A	25	40
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128749	GC	On-Demand	Anodyne	CPT2	21	40
CN1CCC(N2CC[C@@H](NC(=O)N3CCC(N4CCOC4=O)CC3)C2)CC1	ZINC000852128760	GC	On-Demand	Anodyne	SLC6A5	17	42
CC(=O)Nc1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128762	FD	On-Demand	Anodyne	DRD4	30	53
CC(=O)Nc1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128762	FD	On-Demand	Anodyne	ACOX1	42	36
CC(=O)Nc1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128762	FD	On-Demand	Anodyne	LIMK2	42	35
CC(=O)Nc1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852128762	FD	On-Demand	Anodyne	SLC27A1	69	40
CC(C)(C)OC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128772	CD	On-Demand	Anodyne	SLC27A1	49	31
CC[C@H]1c2ccsc2CCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128778	GE	On-Demand	Anodyne	SLC27A1	50	33
CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128779	GE	On-Demand	Anodyne	SLC27A1	50	33
Fc1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)ncn1	ZINC000852128781	DE	On-Demand	Anodyne	DRD4	27	41
Fc1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)ncn1	ZINC000852128781	DE	On-Demand	Anodyne	ABCC1	106	40
Fc1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)ncn1	ZINC000852128781	DE	On-Demand	Anodyne	ABCB1A	54	35
CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)C(=O)OC	ZINC000852128786	FC	On-Demand	Anodyne	SLC27A1	49	32
CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)C(=O)OC	ZINC000852128787	FC	On-Demand	Anodyne	SLC27A1	49	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1F	ZINC000852128788	ED	On-Demand	Anodyne	HTR7	28	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1F	ZINC000852128788	ED	On-Demand	Anodyne	SLC27A1	61	36
O[C@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128803	GE	On-Demand	Anodyne	ADRB2	17	63
O[C@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128803	GE	On-Demand	Anodyne	ADRB1	16	53
O[C@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128803	GE	On-Demand	Anodyne	HTR1A	22	44
O[C@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128803	GE	On-Demand	Anodyne	DRD4	18	55
O[C@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128803	GE	On-Demand	Anodyne	SLC6A4	18	44
O[C@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128803	GE	On-Demand	Anodyne	ACOX1	76	39
O[C@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128803	GE	On-Demand	Anodyne	ABCB1	81	49
O[C@@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128804	GE	On-Demand	Anodyne	ADRB2	17	63
O[C@@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128804	GE	On-Demand	Anodyne	ADRB1	16	53
O[C@@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128804	GE	On-Demand	Anodyne	HTR1A	22	44
O[C@@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128804	GE	On-Demand	Anodyne	DRD4	18	55
O[C@@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128804	GE	On-Demand	Anodyne	SLC6A4	18	44
O[C@@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128804	GE	On-Demand	Anodyne	ACOX1	76	39
O[C@@H](COc1cccc2ccccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128804	GE	On-Demand	Anodyne	ABCB1	81	49
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	HTR1A	121	64
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	DRD2	84	55
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	DRD1	19	47
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	DRD4	54	52
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	ADRA1D	35	55
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	HTR2A	58	48
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	ADRA1A	39	55
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	ADRA1B	27	55
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	DRD3	73	55
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	DRD5	19	43
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	HTR7	99	55
O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852128811	GD	On-Demand	Anodyne	SIGMAR1	20	44
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	HTR1A	20	53
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	DRD2	25	53
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	DRD4	38	53
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	HTR2A	20	53
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	DRD3	20	53
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	LTA4H	47	51
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	HTR7	15	45
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	HRH3	30	45
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	ABCC1	40	33
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	EBP	19	49
Fc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852128831	EE	On-Demand	Anodyne	PSMB1	42	38
Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128843	ED	On-Demand	Anodyne	ACOX1	97	41
Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128843	ED	On-Demand	Anodyne	ABCB1	67	46
Cc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128844	ED	On-Demand	Anodyne	ACOX1	97	41
Cc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128844	ED	On-Demand	Anodyne	ABCB1	67	46
C=CCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128849	CC	On-Demand	Mild	SLC27A1	59	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCSc2ccccc21	ZINC000852128851	FD	On-Demand	Anodyne	SLC27A1	49	35
CC(C)(C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128854	CC	On-Demand	Anodyne	SLC27A1	64	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cccc(Cl)c1	ZINC000852128856	FD	On-Demand	Anodyne	HTR1A	28	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cccc(Cl)c1	ZINC000852128856	FD	On-Demand	Anodyne	DRD4	40	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cccc(Cl)c1	ZINC000852128856	FD	On-Demand	Anodyne	HTR2A	16	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cccc(Cl)c1	ZINC000852128856	FD	On-Demand	Anodyne	SLC27A1	63	36
O[C@H](COCc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128861	ED	On-Demand	Anodyne	ABCB1	71	43
O[C@@H](COCc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128862	ED	On-Demand	Anodyne	ABCB1	71	43
COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128868	FC	On-Demand	Anodyne	SLC27A1	49	32
C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128870	GD	On-Demand	Anodyne	PRNP	49	38
Fc1cc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)ncn1	ZINC000852128874	EF	On-Demand	Anodyne	DRD4	24	43
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	HTR1A	64	53
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	DRD2	59	62
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	DRD4	54	53
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	HTR2A	38	53
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	DRD3	52	53
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	SLC6A3	23	45
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	HTR7	49	53
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	SIGMAR1	55	62
Fc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1	ZINC000852128875	DE	On-Demand	Anodyne	ABCC1	59	36
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC(=O)NCc1ccccc1	ZINC000852128876	GD	On-Demand	Anodyne	HTR1A	35	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC(=O)NCc1ccccc1	ZINC000852128876	GD	On-Demand	Anodyne	DRD2	27	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC(=O)NCc1ccccc1	ZINC000852128876	GD	On-Demand	Anodyne	DRD3	30	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC(=O)NCc1ccccc1	ZINC000852128876	GD	On-Demand	Anodyne	HTR7	46	42
Cc1cccc(C(C)C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128877	FF	On-Demand	Anodyne	DRD4	22	44
Cc1cccc(C(C)C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128877	FF	On-Demand	Anodyne	ACOX1	46	33
Cc1cccc(C(C)C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128877	FF	On-Demand	Anodyne	SLC27A1	63	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCCC1	ZINC000852128891	CC	On-Demand	Anodyne	SLC27A1	63	37
O[C@H](COCc1ccccc1F)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128894	FD	On-Demand	Anodyne	ABCB1	62	38
O[C@@H](COCc1ccccc1F)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128895	FD	On-Demand	Anodyne	ABCB1	62	38
Fc1cc(N2CCN(CCOc3cccc(Br)c3)CC2)ncn1	ZINC000852128899	GF	On-Demand	Anodyne	DRD2	17	41
Fc1cc(N2CCN(CCOc3cccc(Br)c3)CC2)ncn1	ZINC000852128899	GF	On-Demand	Anodyne	DRD4	19	41
Fc1cc(N2CCN(CCOc3cccc(Br)c3)CC2)ncn1	ZINC000852128899	GF	On-Demand	Anodyne	LTA4H	31	41
Fc1cc(N2CCN(CCOc3cccc(Br)c3)CC2)ncn1	ZINC000852128899	GF	On-Demand	Anodyne	HMOX2	19	41
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	HTR1A	46	65
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	DRD2	58	65
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	DRD1	20	65
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	DRD4	39	65
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	HTR2A	42	65
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	SLC6A4	22	41
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	DRD3	45	65
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	HTR3A	19	42
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	SLC6A3	15	40
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	KCNH2	15	44
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	LTA4H	35	46
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	HTR7	29	65
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	HRH3	85	46
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	SIGMAR1	29	62
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	HTR5A	21	47
Fc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128902	EE	On-Demand	Anodyne	MEN1	44	38
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	HTR1A	50	41
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	DRD2	49	42
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	DRD1	19	41
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	DRD4	46	41
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	HTR2A	30	44
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	ADRA1A	17	40
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	DRD3	42	41
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	LTA4H	28	40
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	HTR7	28	41
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	DCK	24	41
Fc1cc(N2CCN(CCOc3ccccc3Cl)CC2)ncn1	ZINC000852128903	EE	On-Demand	Anodyne	SIGMAR1	19	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1	ZINC000852128908	ED	On-Demand	Anodyne	HTR1A	28	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1	ZINC000852128908	ED	On-Demand	Anodyne	DRD2	23	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1	ZINC000852128908	ED	On-Demand	Anodyne	DRD3	28	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1	ZINC000852128908	ED	On-Demand	Anodyne	HTR7	42	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1	ZINC000852128908	ED	On-Demand	Anodyne	SLC27A1	68	39
Cc1ccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128910	ED	On-Demand	Anodyne	DRD4	18	40
Cc1ccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852128910	ED	On-Demand	Anodyne	SLC27A1	67	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCCCC1	ZINC000852128911	DC	On-Demand	Anodyne	SLC27A1	60	37
CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128916	FF	On-Demand	Anodyne	KCNQ2	43	36
CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128917	FF	On-Demand	Anodyne	KCNQ2	43	36
Fc1cc(N2CCN(Cc3cscn3)CC2)ncn1	ZINC000852128918	CD	On-Demand	Anodyne	SCN5A	46	38
Fc1cc(N2CCN(Cc3csc(-c4ccc(Cl)cc4)n3)CC2)ncn1	ZINC000852128919	GH	On-Demand	Anodyne	DRD4	22	50
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000852128923	GD	On-Demand	Anodyne	HTR1A	19	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000852128923	GD	On-Demand	Anodyne	DRD2	26	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000852128923	GD	On-Demand	Anodyne	DRD4	59	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000852128923	GD	On-Demand	Anodyne	ACHE	16	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000852128923	GD	On-Demand	Anodyne	PLA2G7	15	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000852128923	GD	On-Demand	Anodyne	FAAH	24	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(Cc2ccccc2)CC1	ZINC000852128923	GD	On-Demand	Anodyne	SLC27A1	57	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852128925	ED	On-Demand	Anodyne	DRD4	22	54
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852128925	ED	On-Demand	Anodyne	AURKB	28	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852128925	ED	On-Demand	Anodyne	FLT4	17	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852128925	ED	On-Demand	Anodyne	SLC27A1	71	41
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc2c(c1)CCCC2	ZINC000852128927	GE	On-Demand	Anodyne	SLC27A1	59	37
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc2c(c1)CCCC2	ZINC000852128928	GE	On-Demand	Anodyne	SLC27A1	59	37
COc1ccccc1CNC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128929	FD	On-Demand	Anodyne	CARM1	36	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCN1CCCC1=O	ZINC000852128956	FB	On-Demand	Anodyne	SLC27A1	51	34
C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128959	ED	On-Demand	Anodyne	NPY2R	44	36
C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128960	ED	On-Demand	Anodyne	NPY2R	44	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1CCCCC1	ZINC000852128966	DD	On-Demand	Anodyne	SLC27A1	64	37
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC(=O)Nc1ccccc1	ZINC000852128968	FD	On-Demand	Anodyne	HTR1A	27	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC(=O)Nc1ccccc1	ZINC000852128968	FD	On-Demand	Anodyne	DRD2	17	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC(=O)Nc1ccccc1	ZINC000852128968	FD	On-Demand	Anodyne	DRD3	19	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC(=O)Nc1ccccc1	ZINC000852128968	FD	On-Demand	Anodyne	SLC27A1	42	32
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128977	FE	On-Demand	Anodyne	CTSA	48	32
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128978	FE	On-Demand	Anodyne	CTSA	48	32
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128979	FE	On-Demand	Anodyne	CTSA	48	32
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128980	FE	On-Demand	Anodyne	CTSA	48	32
Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852128981	EC	On-Demand	Anodyne	SLC27A1	65	44
C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852128995	FF	On-Demand	Anodyne	NPY2R	16	42
C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129010	FD	On-Demand	Anodyne	NPY2R	54	35
C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129011	FD	On-Demand	Anodyne	NPY2R	54	35
O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129019	FD	On-Demand	Anodyne	DRD4	15	48
O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129019	FD	On-Demand	Anodyne	ACOX1	85	39
O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129019	FD	On-Demand	Anodyne	EBP	16	40
O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129019	FD	On-Demand	Anodyne	ABCB1	57	45
O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129020	FD	On-Demand	Anodyne	DRD4	15	48
O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129020	FD	On-Demand	Anodyne	ACOX1	85	39
O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129020	FD	On-Demand	Anodyne	EBP	16	40
O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129020	FD	On-Demand	Anodyne	ABCB1	57	45
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129025	GC	On-Demand	Anodyne	CA2	29	49
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129025	GC	On-Demand	Anodyne	CA1	24	48
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129025	GC	On-Demand	Anodyne	CA4	32	49
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129025	GC	On-Demand	Anodyne	CA5A	40	33
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129025	GC	On-Demand	Anodyne	CA9	17	43
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129025	GC	On-Demand	Anodyne	SMG1	38	41
NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129025	GC	On-Demand	Anodyne	SLC27A1	58	36
O[C@@H]1CCCC[C@H]1N1CCN(c2cc(F)ncn2)CC1	ZINC000852129042	CD	On-Demand	Anodyne	SLC18A3	36	47
Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129047	FE	On-Demand	Anodyne	NPY2R	41	32
Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129048	FE	On-Demand	Anodyne	NPY2R	41	32
COc1ccc(C)cc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129058	DE	On-Demand	Anodyne	DRD2	15	41
CN(Cc1ccc(F)cc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129059	FD	On-Demand	Anodyne	PLA2G7	59	39
CN(Cc1ccc(F)cc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129059	FD	On-Demand	Anodyne	TACR3	21	41
CN(Cc1ccc(F)cc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129059	FD	On-Demand	Anodyne	SLC27A1	63	43
Fc1cc(N2CCN(Cc3cn4ccccc4n3)CC2)ncn1	ZINC000852129060	DD	On-Demand	Anodyne	DRD4	28	58
Fc1cc(N2CCN(Cc3cc(-c4ccccc4)on3)CC2)ncn1	ZINC000852129065	EF	On-Demand	Anodyne	DRD4	29	42
O=C([C@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1)N1CCCCC1	ZINC000852129066	GE	On-Demand	Anodyne	NPY2R	52	38
O=C([C@@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1)N1CCCCC1	ZINC000852129067	GE	On-Demand	Anodyne	NPY2R	52	38
CSc1ccc(CN(C)C(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129068	GE	On-Demand	Anodyne	SLC27A1	51	38
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	HTR1A	35	50
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	DRD2	39	50
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	DRD4	46	50
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	HTR2A	22	50
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	DRD3	33	50
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	LTA4H	66	48
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	HTR7	19	50
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	HRH3	31	50
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	SIGMAR1	22	42
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	PSMB2	41	38
Fc1cc(N2CCN(CCOc3ccccc3)CC2)ncn1	ZINC000852129071	DD	On-Demand	Anodyne	PSMB1	44	41
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129072	GE	On-Demand	Anodyne	SLC27A1	57	41
O[C@H](COCc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129074	GD	On-Demand	Anodyne	ABCB1	40	38
O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129075	GD	On-Demand	Anodyne	ABCB1	40	38
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129080	GD	On-Demand	Clean	MRGPRX1	40	35
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129080	GD	On-Demand	Clean	SLC27A1	44	38
O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129081	GE	On-Demand	Anodyne	ACOX1	41	41
O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129081	GE	On-Demand	Anodyne	ABCB1	43	36
O[C@@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129082	GE	On-Demand	Anodyne	ACOX1	41	41
O[C@@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129082	GE	On-Demand	Anodyne	ABCB1	43	36
O[C@@H](CO[C@H]1CCCc2ccccc21)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129083	GE	On-Demand	Anodyne	ACOX1	41	41
O[C@@H](CO[C@H]1CCCc2ccccc21)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129083	GE	On-Demand	Anodyne	ABCB1	43	36
O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129084	GE	On-Demand	Anodyne	ACOX1	41	41
O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129084	GE	On-Demand	Anodyne	ABCB1	43	36
C[C@@H](CNC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129104	FE	On-Demand	Anodyne	NPY2R	69	36
Fc1cc(N2CCN(CCc3ccncc3)CC2)ncn1	ZINC000852129107	CD	On-Demand	Anodyne	DRD2	16	43
Fc1cc(N2CCN(CCc3ccncc3)CC2)ncn1	ZINC000852129107	CD	On-Demand	Anodyne	DRD4	22	43
Fc1cc(N2CCN(CCc3ccncc3)CC2)ncn1	ZINC000852129107	CD	On-Demand	Anodyne	SIGMAR1	15	50
Fc1cc(N2CCN(CCc3ccncc3)CC2)ncn1	ZINC000852129107	CD	On-Demand	Anodyne	ABCC1	95	42
Fc1cc(N2CCN(CCc3ccncc3)CC2)ncn1	ZINC000852129107	CD	On-Demand	Anodyne	ABCB1A	50	38
CCC[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129116	FE	On-Demand	Anodyne	P2RY12	43	36
CCC[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129116	FE	On-Demand	Anodyne	SLC27A1	59	34
CCC[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129117	FE	On-Demand	Anodyne	P2RY12	43	36
CCC[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129117	FE	On-Demand	Anodyne	SLC27A1	59	34
NC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129119	CA	On-Demand	Anodyne	SLC27A1	64	38
Fc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129120	EF	On-Demand	Anodyne	HTR1A	15	45
Fc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129120	EF	On-Demand	Anodyne	DRD2	17	47
Fc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129120	EF	On-Demand	Anodyne	DRD4	19	45
Fc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129126	DF	On-Demand	Anodyne	DRD2	19	43
Fc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129126	DF	On-Demand	Anodyne	DRD4	73	43
Fc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129126	DF	On-Demand	Anodyne	DRD3	15	43
Fc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129126	DF	On-Demand	Anodyne	SIGMAR1	21	48
Fc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129126	DF	On-Demand	Anodyne	ABCC1	68	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC(F)(F)F	ZINC000852129127	DC	On-Demand	Anodyne	SLC27A1	59	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)NC1CC1	ZINC000852129128	DB	On-Demand	Anodyne	SLC27A1	54	34
Fc1cc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)ncn1	ZINC000852129129	EE	On-Demand	Anodyne	DRD4	34	66
CC[C@@H](C)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129131	FF	On-Demand	Anodyne	PRNP	40	33
CC[C@@H](C)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129131	FF	On-Demand	Anodyne	SLC27A1	64	40
Fc1cc(N2CCN(Cc3ccc(Br)cc3)CC2)ncn1	ZINC000852129149	FF	On-Demand	Anodyne	DRD4	22	40
Fc1cc(N2CCN(Cc3ccc(Br)cc3)CC2)ncn1	ZINC000852129149	FF	On-Demand	Anodyne	SIGMAR1	15	44
CSc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129150	DF	On-Demand	Anodyne	DRD4	27	40
C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129154	GF	On-Demand	Anodyne	BRAF	30	40
C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129154	GF	On-Demand	Anodyne	RIPK1	50	38
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129158	GG	On-Demand	Anodyne	KCNQ2	46	39
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129160	GG	On-Demand	Anodyne	KCNQ2	46	39
O[C@@H](COc1ccccc1Cl)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129162	FD	On-Demand	Anodyne	DRD4	19	40
O[C@@H](COc1ccccc1Cl)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129162	FD	On-Demand	Anodyne	ACOX1	53	33
O[C@@H](COc1ccccc1Cl)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129162	FD	On-Demand	Anodyne	ABCB1	79	46
O[C@H](COc1ccccc1Cl)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129163	FD	On-Demand	Anodyne	DRD4	19	40
O[C@H](COc1ccccc1Cl)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129163	FD	On-Demand	Anodyne	ACOX1	53	33
O[C@H](COc1ccccc1Cl)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129163	FD	On-Demand	Anodyne	ABCB1	79	46
Cc1ccccc1CCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129165	FD	On-Demand	Anodyne	SLC27A1	60	35
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	HTR1A	58	54
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	DRD2	63	54
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	DRD1	21	55
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	DRD4	44	55
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	HTR2A	45	54
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	HTR2C	15	42
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	SLC6A4	20	43
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	ADRA1A	15	43
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	DRD3	62	55
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	HTR3A	20	41
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	KCNH2	15	43
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	LTA4H	34	43
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	HTR7	41	54
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	HRH3	102	45
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	SIGMAR1	37	51
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	HRH4	19	44
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	HTR5A	21	42
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	EBP	41	40
COc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129167	EE	On-Demand	Anodyne	MEN1	42	35
O[C@@H](COc1ccccc1F)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129179	FD	On-Demand	Anodyne	DRD4	20	41
O[C@@H](COc1ccccc1F)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129179	FD	On-Demand	Anodyne	ACOX1	72	34
O[C@@H](COc1ccccc1F)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129179	FD	On-Demand	Anodyne	ABCB1	80	48
O[C@H](COc1ccccc1F)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129180	FD	On-Demand	Anodyne	DRD4	20	41
O[C@H](COc1ccccc1F)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129180	FD	On-Demand	Anodyne	ACOX1	72	34
O[C@H](COc1ccccc1F)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129180	FD	On-Demand	Anodyne	ABCB1	80	48
COc1ccccc1-c1nc(CN2CCN(c3cc(F)ncn3)CC2)cs1	ZINC000852129183	GG	On-Demand	Anodyne	HTR1A	32	42
COc1ccccc1-c1nc(CN2CCN(c3cc(F)ncn3)CC2)cs1	ZINC000852129183	GG	On-Demand	Anodyne	DRD2	32	56
COc1ccccc1-c1nc(CN2CCN(c3cc(F)ncn3)CC2)cs1	ZINC000852129183	GG	On-Demand	Anodyne	DRD4	34	56
COc1ccccc1-c1nc(CN2CCN(c3cc(F)ncn3)CC2)cs1	ZINC000852129183	GG	On-Demand	Anodyne	DRD3	33	52
COc1ccccc1-c1nc(CN2CCN(c3cc(F)ncn3)CC2)cs1	ZINC000852129183	GG	On-Demand	Anodyne	HTR7	20	41
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	HTR1A	80	59
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	DRD2	76	59
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	DRD1	19	58
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	DRD4	60	59
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	HTR2A	52	59
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	SLC6A4	19	41
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	ADRA1A	20	42
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	HRH1	17	59
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	DRD3	70	59
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	LTA4H	45	41
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	HTR7	64	58
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	HRH3	81	48
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	SIGMAR1	44	49
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	HTR5A	22	42
Fc1cc(N2CCN(CCCOc3ccccc3)CC2)ncn1	ZINC000852129188	DE	On-Demand	Anodyne	MEN1	45	34
Fc1cc(N2CCN(CCc3ccccn3)CC2)ncn1	ZINC000852129189	CD	On-Demand	Anodyne	HTR1A	24	47
Fc1cc(N2CCN(CCc3ccccn3)CC2)ncn1	ZINC000852129189	CD	On-Demand	Anodyne	DRD2	25	47
Fc1cc(N2CCN(CCc3ccccn3)CC2)ncn1	ZINC000852129189	CD	On-Demand	Anodyne	DRD4	42	46
Fc1cc(N2CCN(CCc3ccccn3)CC2)ncn1	ZINC000852129189	CD	On-Demand	Anodyne	DRD3	16	46
Fc1cc(N2CCN(CCc3ccccn3)CC2)ncn1	ZINC000852129189	CD	On-Demand	Anodyne	ABCC1	93	42
Fc1cc(N2CCN(CCc3ccccn3)CC2)ncn1	ZINC000852129189	CD	On-Demand	Anodyne	ABCB1A	49	42
Fc1ccc(SCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129190	EF	On-Demand	Anodyne	HTR1A	15	56
Fc1ccc(SCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129190	EF	On-Demand	Anodyne	DRD2	16	56
Fc1ccc(SCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129190	EF	On-Demand	Anodyne	DRD4	23	56
Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129203	GG	On-Demand	Anodyne	DRD4	27	42
CSc1ccc(NC(=O)[C@@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129215	GE	On-Demand	Anodyne	PDGFRB	16	43
CSc1ccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129216	GE	On-Demand	Anodyne	PDGFRB	16	43
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	HTR1A	42	61
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	DRD2	46	61
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	DRD1	21	61
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	DRD4	47	61
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	HTR2A	40	61
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	HRH1	19	57
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	DRD3	39	61
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	DRD5	17	51
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	LTA4H	24	44
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	HRP1_PLAFA	53	35
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	HTR7	32	53
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	HRH3	83	47
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	SIGMAR1	27	50
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	HRH4	15	48
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	ABCC1	40	33
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	EBP	19	50
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	HNMT	52	42
Fc1cc(N2CCN(CCCOc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129229	FF	On-Demand	Anodyne	MEN1	42	36
N#CCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129231	CB	On-Demand	Mild	SLC27A1	57	34
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	ESR1	39	41
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	HTR1A	24	56
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	DRD2	34	56
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	DRD4	32	56
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	HTR2A	21	56
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	DRD3	23	56
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	SLC6A3	18	40
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	ESR2	27	42
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	LTA4H	52	53
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	HRH3	35	42
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	PSMB2	40	40
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129232	DD	On-Demand	Anodyne	PSMB1	43	40
Fc1ccc(-c2nc(CN3CCN(c4cc(F)ncn4)CC3)co2)cc1	ZINC000852129233	FF	On-Demand	Anodyne	DRD4	17	42
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)o1	ZINC000852129239	DD	On-Demand	Anodyne	ABCC1	45	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(O)cc1	ZINC000852129245	ED	On-Demand	Anodyne	SLC27A1	69	40
C[C@H]1CC(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C[C@H](C)C1	ZINC000852129252	GF	On-Demand	Anodyne	CACNA1I	41	33
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1	ZINC000852129253	GF	On-Demand	Anodyne	CACNA1I	41	33
C[C@@H]1CC(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C[C@@H](C)C1	ZINC000852129254	GF	On-Demand	Anodyne	CACNA1I	41	33
CCN(C(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129265	ED	On-Demand	Anodyne	SLC27A1	58	44
Fc1ccc(-c2nc(CN3CCN(c4cc(F)ncn4)CC3)cs2)cc1	ZINC000852129273	FG	On-Demand	Anodyne	DRD4	17	43
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129278	GF	On-Demand	Anodyne	KCNQ2	42	34
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129278	GF	On-Demand	Anodyne	RBP4	47	37
CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129282	FE	On-Demand	Anodyne	PDGFRB	51	37
CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129282	FE	On-Demand	Anodyne	NPY2R	43	45
CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129282	FE	On-Demand	Anodyne	PRNP	44	32
CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129282	FE	On-Demand	Anodyne	GALR2	41	32
C[C@@H]1CCCCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129284	DD	On-Demand	Anodyne	SLC27A1	50	33
C[C@H]1CCCCN1C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129285	DD	On-Demand	Anodyne	SLC27A1	50	33
Fc1cc(N2CCN(CCSc3ccc(Cl)cc3)CC2)ncn1	ZINC000852129305	FG	On-Demand	Anodyne	DRD4	28	51
CCCCNC(=O)NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129307	EC	On-Demand	Anodyne	SLC27A1	53	32
Fc1cc(N2CCN(CCCc3nc(-c4ccccc4)no3)CC2)ncn1	ZINC000852129308	FE	On-Demand	Anodyne	DRD2	19	40
Fc1cc(N2CCN(CCCc3nc(-c4ccccc4)no3)CC2)ncn1	ZINC000852129308	FE	On-Demand	Anodyne	DRD4	23	41
Fc1cc(N2CCN(CCCc3nc(-c4ccccc4)no3)CC2)ncn1	ZINC000852129308	FE	On-Demand	Anodyne	DRD3	21	41
Fc1cc(N2CCN(CCCc3nc(-c4ccccc4)no3)CC2)ncn1	ZINC000852129308	FE	On-Demand	Anodyne	SIGMAR1	18	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC(c2ccccc2)=N1	ZINC000852129312	FD	On-Demand	Anodyne	SLC27A1	49	33
CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129316	GF	On-Demand	Anodyne	MRGPRX1	41	40
CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129316	GF	On-Demand	Anodyne	SLC27A1	53	36
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	HTR1A	95	61
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	DRD2	64	55
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	DRD1	15	45
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	DRD4	41	49
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	ADRA1D	27	52
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	HTR2A	44	45
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	ADRA1A	29	52
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	ADRA1B	23	52
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	DRD3	49	55
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	DRD5	19	40
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	HTR7	72	52
O=C1c2ccccc2C(=O)N1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129319	FD	On-Demand	Anodyne	SIGMAR1	17	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852129324	FD	On-Demand	Anodyne	HTR7	18	57
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852129324	FD	On-Demand	Anodyne	BDKRB1	62	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852129324	FD	On-Demand	Anodyne	SLC27A1	66	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852129325	FD	On-Demand	Anodyne	HTR7	18	57
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852129325	FD	On-Demand	Anodyne	BDKRB1	62	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852129325	FD	On-Demand	Anodyne	SLC27A1	66	38
CCN(C(=O)CN1CCN(c2cc(F)ncn2)CC1)c1cccc2ccccc12	ZINC000852129330	GF	On-Demand	Anodyne	SLC27A1	57	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852129345	DD	On-Demand	Anodyne	HTR1A	16	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852129345	DD	On-Demand	Anodyne	DRD4	29	49
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852129345	DD	On-Demand	Anodyne	PRNP	55	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852129345	DD	On-Demand	Anodyne	FLT4	17	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852129345	DD	On-Demand	Anodyne	SLC27A1	73	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCNC1=O	ZINC000852129347	DB	On-Demand	Anodyne	SLC27A1	42	32
N#CCc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129350	FD	On-Demand	Mild	ACOX1	75	35
N#CCc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129350	FD	On-Demand	Mild	ABCB1	51	42
N#CCc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129351	FD	On-Demand	Mild	ACOX1	75	35
N#CCc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129351	FD	On-Demand	Mild	ABCB1	51	42
O[C@@H](COCc1cccs1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129353	FD	On-Demand	Anodyne	ACOX1	53	30
O[C@H](COCc1cccs1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129354	FD	On-Demand	Anodyne	ACOX1	53	30
O[C@@H](COc1ccc2ccccc2c1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129362	GE	On-Demand	Anodyne	ADRB2	15	44
O[C@@H](COc1ccc2ccccc2c1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129362	GE	On-Demand	Anodyne	ACOX1	98	45
O[C@@H](COc1ccc2ccccc2c1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129362	GE	On-Demand	Anodyne	ABCB1	73	46
O[C@H](COc1ccc2ccccc2c1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129363	GE	On-Demand	Anodyne	ADRB2	15	44
O[C@H](COc1ccc2ccccc2c1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129363	GE	On-Demand	Anodyne	ACOX1	98	45
O[C@H](COc1ccc2ccccc2c1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129363	GE	On-Demand	Anodyne	ABCB1	73	46
COc1ccccc1COC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129368	GD	On-Demand	Anodyne	HTR1A	20	42
COc1ccccc1COC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129368	GD	On-Demand	Anodyne	HTR7	17	42
COc1ccccc1COC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129368	GD	On-Demand	Anodyne	ABCB1	71	42
COc1ccccc1COC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129369	GD	On-Demand	Anodyne	HTR1A	20	42
COc1ccccc1COC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129369	GD	On-Demand	Anodyne	HTR7	17	42
COc1ccccc1COC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129369	GD	On-Demand	Anodyne	ABCB1	71	42
CC(=O)c1cccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129375	FD	On-Demand	Anodyne	DRD4	44	35
CC(=O)c1cccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129375	FD	On-Demand	Anodyne	ACOX1	87	41
CC(=O)c1cccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129375	FD	On-Demand	Anodyne	ABCB1	78	65
CC(=O)c1cccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129376	FD	On-Demand	Anodyne	DRD4	44	35
CC(=O)c1cccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129376	FD	On-Demand	Anodyne	ACOX1	87	41
CC(=O)c1cccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129376	FD	On-Demand	Anodyne	ABCB1	78	65
CCOC(=O)N1CCC(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852129378	GC	On-Demand	Anodyne	SLC27A1	41	32
COC(=O)c1occc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129392	DD	On-Demand	Anodyne	SLC27A1	41	33
CC(C)(C)N1CC[C@@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1	ZINC000852129393	GD	On-Demand	Anodyne	CACNA1I	42	34
CC(C)(C)N1CC[C@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1	ZINC000852129394	GD	On-Demand	Anodyne	CACNA1I	42	34
CCOc1ccccc1NC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129397	FE	On-Demand	Anodyne	KCNQ2	47	35
CCOc1ccccc1NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129398	FE	On-Demand	Anodyne	KCNQ2	47	35
O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129408	GC	On-Demand	Anodyne	ABCB1	42	36
O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129409	GC	On-Demand	Anodyne	ABCB1	42	36
N#Cc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129416	ED	On-Demand	Mild	LTA4H	43	40
N#Cc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129416	ED	On-Demand	Mild	HRH3	25	48
N#Cc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129416	ED	On-Demand	Mild	PSMB1	40	37
N#Cc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129416	ED	On-Demand	Mild	MEN1	43	42
O[C@H](COCc1ccccc1Cl)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129417	GD	On-Demand	Anodyne	ABCB1	58	38
O[C@@H](COCc1ccccc1Cl)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129418	GD	On-Demand	Anodyne	ABCB1	58	38
Fc1cc(N2CCN(Cc3coc(-c4ccc(Cl)cc4)n3)CC2)ncn1	ZINC000852129426	FG	On-Demand	Anodyne	DRD4	19	51
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccc(Cl)cc1	ZINC000852129427	GD	On-Demand	Anodyne	DRD4	42	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccc(Cl)cc1	ZINC000852129427	GD	On-Demand	Anodyne	DRD3	18	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccc(Cl)cc1	ZINC000852129427	GD	On-Demand	Anodyne	SLC27A1	45	33
O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NNc1ccc(Cl)cn1	ZINC000852129433	GD	On-Demand	Reactive	CACNA1I	49	33
NC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129444	DD	On-Demand	Anodyne	HTR1A	17	51
NC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129444	DD	On-Demand	Anodyne	DRD2	18	51
NC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129444	DD	On-Demand	Anodyne	DRD4	32	42
NC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129444	DD	On-Demand	Anodyne	FAAH	17	40
Fc1cc(N2CCN(Cc3nc4ccccc4o3)CC2)ncn1	ZINC000852129447	DE	On-Demand	Anodyne	DRD4	20	43
Fc1ccc(-c2cnc(CN3CCN(c4cc(F)ncn4)CC3)o2)cc1	ZINC000852129448	FF	On-Demand	Anodyne	DRD4	17	43
CC(C)(C)C(F)(F)CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1	ZINC000852129458	GE	On-Demand	Anodyne	CACNA1I	42	34
Fc1cc(N2CCN(CCSc3ccccc3F)CC2)ncn1	ZINC000852129463	EF	On-Demand	Anodyne	DRD4	27	41
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129471	CE	On-Demand	Anodyne	DRD2	20	50
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129471	CE	On-Demand	Anodyne	DRD4	49	50
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129471	CE	On-Demand	Anodyne	DRD3	16	50
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129471	CE	On-Demand	Anodyne	SIGMAR1	25	46
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129471	CE	On-Demand	Anodyne	CACNA1G	20	41
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129471	CE	On-Demand	Anodyne	SLC27A1	46	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)NCC(F)(F)F	ZINC000852129474	FC	On-Demand	Anodyne	SLC27A1	48	33
COCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129489	DB	On-Demand	Anodyne	HTR1A	20	40
COCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129489	DB	On-Demand	Anodyne	DRD4	41	33
COCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129489	DB	On-Demand	Anodyne	HTR2A	15	40
COCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129489	DB	On-Demand	Anodyne	DRD3	56	40
COCCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129489	DB	On-Demand	Anodyne	SLC27A1	54	33
COc1ccc(CN(C)C(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129490	FD	On-Demand	Anodyne	MRGPRX1	42	38
COc1ccc(CN(C)C(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129490	FD	On-Demand	Anodyne	SLC27A1	53	39
C[C@H](C(=O)Nc1cccc2ccccc12)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129493	GF	On-Demand	Anodyne	KCNQ2	49	35
C[C@H](C(=O)Nc1cccc2ccccc12)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129493	GF	On-Demand	Anodyne	TRPV1	27	40
C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129495	ED	On-Demand	Anodyne	SLC27A1	61	35
C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129497	ED	On-Demand	Anodyne	SLC27A1	61	35
COC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129498	CB	On-Demand	Anodyne	SLC27A1	63	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)NCc1cccs1	ZINC000852129503	GC	On-Demand	Anodyne	SLC27A1	58	34
Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)c(C)c1	ZINC000852129506	FD	On-Demand	Anodyne	ACOX1	73	34
Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)c(C)c1	ZINC000852129506	FD	On-Demand	Anodyne	ABCB1	69	50
Cc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)c(C)c1	ZINC000852129507	FD	On-Demand	Anodyne	ACOX1	73	34
Cc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)c(C)c1	ZINC000852129507	FD	On-Demand	Anodyne	ABCB1	69	50
CCCCCNC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129508	DD	On-Demand	Anodyne	ASAH1	54	33
CCCCCNC(=O)[C@H](C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129509	DD	On-Demand	Anodyne	ASAH1	54	33
C[C@H](NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129515	FE	On-Demand	Anodyne	NPY2R	58	36
O=[N+]([O-])c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129520	DD	On-Demand	Bother	DRD4	16	45
CCOc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129521	FD	On-Demand	Anodyne	DRD4	40	43
CCOc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129521	FD	On-Demand	Anodyne	SLC27A1	71	40
Fc1cc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)ncn1	ZINC000852129522	DD	On-Demand	Anodyne	DRD4	36	66
CC(C)c1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129525	FE	On-Demand	Anodyne	DRD4	29	40
CC(C)c1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129525	FE	On-Demand	Anodyne	KCNQ2	58	35
CC(C)c1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129525	FE	On-Demand	Anodyne	SLC27A1	69	40
C[C@H](NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852129529	GF	On-Demand	Anodyne	PRCP	18	41
C[C@H](NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852129529	GF	On-Demand	Anodyne	AKT2	29	40
C[C@H](NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852129529	GF	On-Demand	Anodyne	AKT3	56	40
C[C@H](NC(=O)[C@@H](C)N1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852129529	GF	On-Demand	Anodyne	AKT1	28	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1CCCC1	ZINC000852129531	DC	On-Demand	Anodyne	SLC27A1	65	37
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	HTR1A	38	54
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	DRD2	41	54
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	DRD4	47	55
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	HTR2A	31	51
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	DRD3	28	46
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	SLC6A3	23	51
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	HTR7	22	46
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	SIGMAR1	44	51
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	ABCC1	101	42
Fc1cc(N2CCN(CCc3ccccc3)CC2)ncn1	ZINC000852129533	CD	On-Demand	Anodyne	ABCB1A	50	41
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	ESR1	44	39
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	HTR1A	30	46
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	DRD2	33	46
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	DRD4	40	32
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	HTR2A	20	46
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	DRD3	31	47
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	LTA4H	53	50
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	HTR7	19	46
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	HRH3	47	41
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	SIGMAR1	19	43
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	PSMB2	40	39
COc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129536	ED	On-Demand	Anodyne	PSMB1	44	39
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129539	FD	On-Demand	Anodyne	HTR1A	52	58
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129539	FD	On-Demand	Anodyne	DRD2	33	50
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129539	FD	On-Demand	Anodyne	ADRA1D	29	45
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129539	FD	On-Demand	Anodyne	HTR2A	19	41
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129539	FD	On-Demand	Anodyne	ADRA1A	17	45
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129539	FD	On-Demand	Anodyne	ADRA1B	21	45
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129539	FD	On-Demand	Anodyne	DRD3	25	45
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129539	FD	On-Demand	Anodyne	HTR7	22	45
C=CCSc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129542	GF	On-Demand	Mild	SLC27A1	60	37
O=[N+]([O-])c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129545	DD	On-Demand	Bother	ABCC1	28	41
O=[N+]([O-])c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129545	DD	On-Demand	Bother	KCNJ1	30	49
NC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129546	DD	On-Demand	Anodyne	SLC27A1	40	31
Cc1cccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129551	EE	On-Demand	Anodyne	LIMK2	44	43
Cc1cccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129551	EE	On-Demand	Anodyne	KCNK3	47	34
Cc1cccc(NC(=O)[C@@H](C)N2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129552	EE	On-Demand	Anodyne	LIMK2	44	43
Cc1cccc(NC(=O)[C@@H](C)N2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129552	EE	On-Demand	Anodyne	KCNK3	47	34
CCOC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129555	CC	On-Demand	Anodyne	SLC27A1	53	34
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1F	ZINC000852129658	GF	On-Demand	Anodyne	HTR1A	17	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1F	ZINC000852129658	GF	On-Demand	Anodyne	DRD4	28	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1F	ZINC000852129658	GF	On-Demand	Anodyne	HTR7	22	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1F	ZINC000852129658	GF	On-Demand	Anodyne	ABCC1	42	32
Fc1cc(N2CCN(Cc3cccnc3Cl)CC2)ncn1	ZINC000852129695	DD	On-Demand	Anodyne	DRD4	40	42
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	HTR1A	35	46
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	DRD2	42	46
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	DRD4	22	53
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	HTR2A	29	46
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	DRD3	41	53
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	HTR7	19	46
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	HRH3	40	48
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	CHRNA10	16	42
Fc1cc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)ncn1	ZINC000852129697	GG	On-Demand	Anodyne	GALR3	39	42
Fc1cc(N2CCN(CCSc3ccccc3)CC2)ncn1	ZINC000852129698	DF	On-Demand	Anodyne	HTR1A	18	50
Fc1cc(N2CCN(CCSc3ccccc3)CC2)ncn1	ZINC000852129698	DF	On-Demand	Anodyne	DRD2	15	50
Fc1cc(N2CCN(CCSc3ccccc3)CC2)ncn1	ZINC000852129698	DF	On-Demand	Anodyne	DRD4	30	50
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(F)c1	ZINC000852129701	FD	On-Demand	Anodyne	ABCC1	61	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(F)c1	ZINC000852129701	FD	On-Demand	Anodyne	MCHR1	18	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(F)c1	ZINC000852129701	FD	On-Demand	Anodyne	SLC27A1	68	40
Fc1cc(N2CCN(CCCCCn3cccn3)CC2)ncn1	ZINC000852129702	DD	On-Demand	Anodyne	HTR1A	20	46
Fc1cc(N2CCN(CCCCCn3cccn3)CC2)ncn1	ZINC000852129702	DD	On-Demand	Anodyne	DRD2	19	46
Fc1cc(N2CCN(CCCCCn3cccn3)CC2)ncn1	ZINC000852129702	DD	On-Demand	Anodyne	DRD4	20	40
Fc1cc(N2CCN(CCCCCn3cccn3)CC2)ncn1	ZINC000852129702	DD	On-Demand	Anodyne	DRD3	23	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCC1CCCCC1	ZINC000852129703	ED	On-Demand	Anodyne	SIRT3	62	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCC1CCCCC1	ZINC000852129703	ED	On-Demand	Anodyne	SIRT2	58	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCC1CCCCC1	ZINC000852129703	ED	On-Demand	Anodyne	SIRT1	52	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCC1CCCCC1	ZINC000852129703	ED	On-Demand	Anodyne	SLC27A1	55	35
O=C(NCCC1SCCS1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852129704	EH	On-Demand	Anodyne	MME	47	37
O=C(NCCC1SCCS1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852129706	EH	On-Demand	Anodyne	MME	47	37
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	HTR1A	74	40
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	DRD2	62	40
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	DRD4	64	49
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	ADRA1D	46	42
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	ADRA1A	47	37
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	DRD3	75	40
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	PDGFRB	48	38
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	HTR7	53	37
COc1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129709	ED	On-Demand	Anodyne	SLC27A1	73	43
O=[N+]([O-])c1cccc(F)c1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129710	ED	On-Demand	Bother	ABCC1	23	40
O=[N+]([O-])c1cccc(F)c1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129710	ED	On-Demand	Bother	ABCB1A	23	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC12CC3CC(CC(C3)C1)C2	ZINC000852129712	FD	On-Demand	Anodyne	EPHX2	57	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC12CC3CC(CC(C3)C1)C2	ZINC000852129712	FD	On-Demand	Anodyne	SLC27A1	58	35
Fc1cc(N2CCN(CCc3ccccc3Cl)CC2)ncn1	ZINC000852129715	DF	On-Demand	Anodyne	DRD2	28	43
Fc1cc(N2CCN(CCc3ccccc3Cl)CC2)ncn1	ZINC000852129715	DF	On-Demand	Anodyne	DRD4	37	44
Fc1cc(N2CCN(CCc3ccccc3Cl)CC2)ncn1	ZINC000852129715	DF	On-Demand	Anodyne	HTR2A	23	42
Fc1cc(N2CCN(CCc3ccccc3Cl)CC2)ncn1	ZINC000852129715	DF	On-Demand	Anodyne	SIGMAR1	15	42
Fc1cc(N2CCN(CCc3ccccc3Cl)CC2)ncn1	ZINC000852129715	DF	On-Demand	Anodyne	ABCC1	58	33
Cc1cc(C)cc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129725	ED	On-Demand	Anodyne	SLC27A1	67	40
CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129727	FD	On-Demand	Anodyne	PRNP	36	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NC1CCCC1	ZINC000852129728	DD	On-Demand	Anodyne	SLC27A1	40	32
CC(=O)c1cccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129729	FD	On-Demand	Anodyne	PRNP	36	41
O=C(N[C@@H]1C=CCC1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852129730	CG	On-Demand	Anodyne	MME	52	34
O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@H]1C=CCC1	ZINC000852129731	CG	On-Demand	Anodyne	MME	52	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCOC1CCCCC1	ZINC000852129732	GD	On-Demand	Anodyne	SLC27A1	42	32
O=C(N[C@@H]1C=CCC1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852129733	CG	On-Demand	Anodyne	MME	52	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Br)cc1	ZINC000852129734	GE	On-Demand	Anodyne	PDGFRB	20	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Br)cc1	ZINC000852129734	GE	On-Demand	Anodyne	SLC27A1	68	40
O=C(N[C@H]1C=CCC1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852129735	CG	On-Demand	Anodyne	MME	52	34
NC(=O)NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129740	DB	On-Demand	Anodyne	DRD2	15	40
NC(=O)NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129740	DB	On-Demand	Anodyne	DRD3	19	40
NC(=O)NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129740	DB	On-Demand	Anodyne	HTR7	46	37
Fc1cc(N2CCN(Cc3nc(-c4ccccn4)no3)CC2)ncn1	ZINC000852129744	ED	On-Demand	Anodyne	DRD4	28	40
COC(=O)c1nc(CNC(=O)N[C@@H](Cc2ccccc2)C2CC2)ccc1Cl	ZINC000852129746	GG	On-Demand	Anodyne	TIMP3	50	32
COC(=O)c1nc(CNC(=O)N[C@H](Cc2ccccc2)C2CC2)ccc1Cl	ZINC000852129748	GG	On-Demand	Anodyne	TIMP3	50	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1(c2ccccc2)CC1	ZINC000852129751	FD	On-Demand	Anodyne	KCNA3	42	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1(c2ccccc2)CC1	ZINC000852129751	FD	On-Demand	Anodyne	NPFFR1	21	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1(c2ccccc2)CC1	ZINC000852129751	FD	On-Demand	Anodyne	SLC27A1	58	35
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)[nH]n3)C2)cc1	ZINC000852129760	ED	On-Demand	Clean	EPHX2	16	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)[nH]n3)C2)cc1	ZINC000852129760	ED	On-Demand	Clean	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)[nH]n3)C2)cc1	ZINC000852129760	ED	On-Demand	Clean	NPBWR1	52	30
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)[nH]n3)C2)cc1	ZINC000852129760	ED	On-Demand	Clean	PARE	71	32
CSc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129768	EF	On-Demand	Anodyne	DRD2	21	45
CSc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129768	EF	On-Demand	Anodyne	DRD4	19	46
CSc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129768	EF	On-Demand	Anodyne	DRD3	18	46
CSc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129768	EF	On-Demand	Anodyne	LTA4H	46	41
CSc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129768	EF	On-Demand	Anodyne	HRH3	31	40
CSc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129768	EF	On-Demand	Anodyne	PSMB1	42	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCN1CCCCCC1=O	ZINC000852129771	GC	On-Demand	Anodyne	SLC27A1	52	35
Fc1cc(N2CCN(CCOc3ccccc3C(F)(F)F)CC2)ncn1	ZINC000852129773	FF	On-Demand	Anodyne	HTR1A	50	42
Fc1cc(N2CCN(CCOc3ccccc3C(F)(F)F)CC2)ncn1	ZINC000852129773	FF	On-Demand	Anodyne	DRD2	49	41
Fc1cc(N2CCN(CCOc3ccccc3C(F)(F)F)CC2)ncn1	ZINC000852129773	FF	On-Demand	Anodyne	DRD1	15	41
Fc1cc(N2CCN(CCOc3ccccc3C(F)(F)F)CC2)ncn1	ZINC000852129773	FF	On-Demand	Anodyne	DRD4	38	41
Fc1cc(N2CCN(CCOc3ccccc3C(F)(F)F)CC2)ncn1	ZINC000852129773	FF	On-Demand	Anodyne	HTR2A	20	41
Fc1cc(N2CCN(CCOc3ccccc3C(F)(F)F)CC2)ncn1	ZINC000852129773	FF	On-Demand	Anodyne	DRD3	47	41
Fc1cc(N2CCN(CCOc3ccccc3C(F)(F)F)CC2)ncn1	ZINC000852129773	FF	On-Demand	Anodyne	HTR7	31	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1c(Cl)cccc1Cl	ZINC000852129785	GF	On-Demand	Anodyne	DRD4	42	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1c(Cl)cccc1Cl	ZINC000852129785	GF	On-Demand	Anodyne	SLC27A1	70	39
C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129790	FE	On-Demand	Anodyne	SORD	45	34
O[C@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129791	FD	On-Demand	Anodyne	ADRB1	18	45
O[C@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129791	FD	On-Demand	Anodyne	HTR1A	20	57
O[C@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129791	FD	On-Demand	Anodyne	SLC6A4	21	48
O[C@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129791	FD	On-Demand	Anodyne	ACOX1	30	42
O[C@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129791	FD	On-Demand	Anodyne	ABCB1	70	42
O[C@@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129793	FD	On-Demand	Anodyne	ADRB1	18	45
O[C@@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129793	FD	On-Demand	Anodyne	HTR1A	20	57
O[C@@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129793	FD	On-Demand	Anodyne	SLC6A4	21	48
O[C@@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129793	FD	On-Demand	Anodyne	ACOX1	30	42
O[C@@H](COc1cccc2[nH]ccc12)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129793	FD	On-Demand	Anodyne	ABCB1	70	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@@H]1CCN(c2ccccc2)C1	ZINC000852129794	GD	On-Demand	Anodyne	SLC27A1	56	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@H]1CCN(c2ccccc2)C1	ZINC000852129796	GD	On-Demand	Anodyne	SLC27A1	56	38
Fc1cc(N2CCN(CCc3nc(-c4ccc(Cl)cc4)no3)CC2)ncn1	ZINC000852129801	GF	On-Demand	Anodyne	ABCC1	58	33
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129807	GH	On-Demand	Anodyne	DRD4	24	44
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129807	GH	On-Demand	Anodyne	ACOX1	46	33
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129807	GH	On-Demand	Anodyne	SOAT1	62	40
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129807	GH	On-Demand	Anodyne	SLC27A1	68	39
Fc1cc(N2CCN(CCc3cccs3)CC2)ncn1	ZINC000852129811	CE	On-Demand	Anodyne	DRD4	19	42
Fc1cc(N2CCN(CCc3cccs3)CC2)ncn1	ZINC000852129811	CE	On-Demand	Anodyne	ABCC1	55	33
CN(CC1CCCCC1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129812	ED	On-Demand	Anodyne	SLC27A1	50	37
CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852129814	GC	On-Demand	Anodyne	SLC27A1	55	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1cccc(F)c1	ZINC000852129815	GD	On-Demand	Anodyne	DRD4	43	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1cccc(F)c1	ZINC000852129815	GD	On-Demand	Anodyne	SLC27A1	53	34
Fc1cc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852129816	FG	On-Demand	Anodyne	HTR1A	16	46
Fc1cc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852129816	FG	On-Demand	Anodyne	DRD2	20	46
Fc1cc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852129816	FG	On-Demand	Anodyne	DRD3	21	47
Fc1cc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852129816	FG	On-Demand	Anodyne	SIGMAR1	21	46
Fc1cc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852129816	FG	On-Demand	Anodyne	ABCC1	53	33
Fc1cc(N2CCN(Cc3ccc(I)cc3)CC2)ncn1	ZINC000852129820	GF	On-Demand	Anodyne	DRD4	22	40
Fc1cc(N2CCN(Cc3ccnc(Cl)c3)CC2)ncn1	ZINC000852129821	DD	On-Demand	Anodyne	DRD4	21	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2c(c1)OCO2	ZINC000852129824	FD	On-Demand	Anodyne	NOS2	53	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2c(c1)OCO2	ZINC000852129824	FD	On-Demand	Anodyne	SLC27A1	65	41
C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129826	FE	On-Demand	Anodyne	KCNQ2	59	38
C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129826	FE	On-Demand	Anodyne	EPHB3	55	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(SC(F)F)cc1	ZINC000852129831	GF	On-Demand	Anodyne	SLC27A1	59	37
Fc1cc(N2CCN(Cc3cccc(OCC(F)(F)F)c3)CC2)ncn1	ZINC000852129835	FF	On-Demand	Anodyne	DRD4	15	42
Fc1cc(N2CCN(CCc3nnnn3-c3ccccc3)CC2)ncn1	ZINC000852129836	FC	On-Demand	Anodyne	ABCC1	49	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1CC1	ZINC000852129838	CC	On-Demand	Anodyne	CACNA1I	54	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1CC1	ZINC000852129838	CC	On-Demand	Anodyne	SLC27A1	59	37
CNC(=O)[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129848	GC	On-Demand	Anodyne	NPY2R	43	34
CNC(=O)[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129848	GC	On-Demand	Anodyne	SLC27A1	56	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)F)cc1	ZINC000852129859	GD	On-Demand	Anodyne	PDGFRB	45	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)F)cc1	ZINC000852129859	GD	On-Demand	Anodyne	ACOX1	45	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)F)cc1	ZINC000852129859	GD	On-Demand	Anodyne	SLC27A1	58	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000852129860	GD	On-Demand	Bother	SLC27A1	55	37
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	HTR1A	47	45
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	DRD2	52	49
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	DRD4	40	45
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	HTR2A	33	45
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	DRD3	42	45
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	SLC6A3	21	41
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	HTR7	30	45
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	HRH3	24	49
Fc1cc(N2CCN(CCCOCCc3ccccc3)CC2)ncn1	ZINC000852129865	EE	On-Demand	Anodyne	SIGMAR1	44	49
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cc(Cl)ccc1Cl	ZINC000852129871	GF	On-Demand	Anodyne	ERBB4	40	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cc(Cl)ccc1Cl	ZINC000852129871	GF	On-Demand	Anodyne	SLC27A1	68	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852129875	GE	On-Demand	Anodyne	PRNP	44	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852129875	GE	On-Demand	Anodyne	SLC27A1	75	48
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	EGFR	23	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	HTR1A	39	54
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	DRD2	29	54
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	DRD4	42	54
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	HTR2A	29	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	HTR7	38	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	ABCC1	49	35
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	EPHX2	16	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852129878	FE	On-Demand	Anodyne	MCHR1	38	42
Fc1cc(N2CCN(Cc3csc(-c4ccccc4F)n3)CC2)ncn1	ZINC000852129886	FG	On-Demand	Anodyne	DRD4	19	41
Fc1cc(N2CCN(Cc3ccn(-c4ccccc4)n3)CC2)ncn1	ZINC000852129888	EE	On-Demand	Anodyne	DRD4	35	43
Fc1cc(N2CCN(Cc3nccn3Cc3ccccc3)CC2)ncn1	ZINC000852129889	FE	On-Demand	Anodyne	DRD4	39	40
N#Cc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129890	ED	On-Demand	Mild	PDGFRB	21	43
N#Cc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129890	ED	On-Demand	Mild	SLC27A1	62	38
N#Cc1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129894	ED	On-Demand	Mild	DRD4	17	52
N#Cc1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129894	ED	On-Demand	Mild	CCR3	16	40
N#Cc1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129894	ED	On-Demand	Mild	MCHR1	44	40
N#Cc1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129894	ED	On-Demand	Mild	SLC27A1	59	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)NC1CCCC1	ZINC000852129899	FC	On-Demand	Anodyne	SLC27A1	61	35
Fc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)ncn1	ZINC000852129900	DD	On-Demand	Anodyne	DRD4	20	41
Fc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)ncn1	ZINC000852129900	DD	On-Demand	Anodyne	Q8WSF8_APLCA	37	40
Fc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)ncn1	ZINC000852129900	DD	On-Demand	Anodyne	NACHRBETA2	41	40
Fc1cc(N2CCN(Cc3cccnc3)CC2)ncn1	ZINC000852129903	CD	On-Demand	Anodyne	DRD4	29	51
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1c(F)cccc1F	ZINC000852129906	GD	On-Demand	Anodyne	DRD4	41	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1c(F)cccc1F	ZINC000852129906	GD	On-Demand	Anodyne	SLC27A1	57	34
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc21	ZINC000852129907	FD	On-Demand	Anodyne	HTR1A	43	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc21	ZINC000852129907	FD	On-Demand	Anodyne	DRD2	34	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc21	ZINC000852129907	FD	On-Demand	Anodyne	DRD4	43	54
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc21	ZINC000852129907	FD	On-Demand	Anodyne	HTR7	47	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc21	ZINC000852129907	FD	On-Demand	Anodyne	EIF2AK3	84	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)N(Cc1ccccc1)C1CC1	ZINC000852129909	FD	On-Demand	Anodyne	MRGPRX1	40	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)N(Cc1ccccc1)C1CC1	ZINC000852129909	FD	On-Demand	Anodyne	SLC27A1	50	35
C#CCN1CCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852129916	EB	On-Demand	Mild	SLC27A1	48	32
O=S(=O)(NCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129917	FC	On-Demand	Anodyne	HTR1A	28	47
O=S(=O)(NCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129917	FC	On-Demand	Anodyne	DRD2	28	45
O=S(=O)(NCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129917	FC	On-Demand	Anodyne	DRD4	25	45
O=S(=O)(NCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129917	FC	On-Demand	Anodyne	HTR2A	28	45
O=S(=O)(NCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129917	FC	On-Demand	Anodyne	DRD3	26	45
O=S(=O)(NCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129917	FC	On-Demand	Anodyne	HTR7	59	51
O=S(=O)(NCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852129917	FC	On-Demand	Anodyne	HTR6	23	45
CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852129921	FB	On-Demand	Anodyne	SLC27A1	48	31
CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852129922	FB	On-Demand	Anodyne	SLC27A1	48	31
CC(C)(C)OC(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129924	ED	On-Demand	Anodyne	HTR1A	32	43
CC(C)(C)OC(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129924	ED	On-Demand	Anodyne	DRD2	37	55
CC(C)(C)OC(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129924	ED	On-Demand	Anodyne	DRD4	48	37
CC(C)(C)OC(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129924	ED	On-Demand	Anodyne	DRD3	64	39
CC(C)(C)OC(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129924	ED	On-Demand	Anodyne	SIRT3	40	41
CC(C)(C)OC(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129924	ED	On-Demand	Anodyne	SIRT2	31	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000852129928	GD	On-Demand	Bother	SLC27A1	46	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(Cl)cc1	ZINC000852129929	FD	On-Demand	Anodyne	AKT2	28	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(Cl)cc1	ZINC000852129929	FD	On-Demand	Anodyne	AKT3	23	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(Cl)cc1	ZINC000852129929	FD	On-Demand	Anodyne	ABCC1	56	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(Cl)cc1	ZINC000852129929	FD	On-Demand	Anodyne	AKT1	27	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(Cl)cc1	ZINC000852129929	FD	On-Demand	Anodyne	MRGPRX1	42	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(Cl)cc1	ZINC000852129929	FD	On-Demand	Anodyne	SLC27A1	64	37
COc1cccc(S(=O)(=O)CCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129933	GD	On-Demand	Anodyne	HTR1A	24	45
COc1cccc(S(=O)(=O)CCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129933	GD	On-Demand	Anodyne	DRD2	18	45
COc1cccc(S(=O)(=O)CCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129933	GD	On-Demand	Anodyne	DRD4	47	37
COc1cccc(S(=O)(=O)CCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852129933	GD	On-Demand	Anodyne	HTR7	29	42
CCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129940	CF	On-Demand	Mild	HTR1A	30	48
CCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129940	CF	On-Demand	Mild	DRD2	26	44
CCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129940	CF	On-Demand	Mild	DRD4	23	40
CCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129940	CF	On-Demand	Mild	DRD3	31	40
O=C1CCCN1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129946	DC	On-Demand	Anodyne	DRD2	16	45
O=C1CCCN1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129946	DC	On-Demand	Anodyne	DRD3	16	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1cccc(Cl)c1	ZINC000852129951	GD	On-Demand	Anodyne	HTR1A	23	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1cccc(Cl)c1	ZINC000852129951	GD	On-Demand	Anodyne	DRD4	47	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1cccc(Cl)c1	ZINC000852129951	GD	On-Demand	Anodyne	HRH2	27	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1cccc(Cl)c1	ZINC000852129951	GD	On-Demand	Anodyne	AVPR1B	40	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1cccc(Cl)c1	ZINC000852129951	GD	On-Demand	Anodyne	SLC27A1	48	32
Fc1cc(N2CCN(Cc3ccncc3)CC2)ncn1	ZINC000852129965	CD	On-Demand	Anodyne	DRD4	27	46
C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129968	FE	On-Demand	Anodyne	NPY2R	41	40
C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852129968	FE	On-Demand	Anodyne	LIMK2	30	41
Fc1cc(N2CCN(CCCCCn3nnc(-c4ccccc4)n3)CC2)ncn1	ZINC000852129975	GE	On-Demand	Anodyne	HTR1A	39	43
Fc1cc(N2CCN(CCCCCn3nnc(-c4ccccc4)n3)CC2)ncn1	ZINC000852129975	GE	On-Demand	Anodyne	DRD2	35	43
Fc1cc(N2CCN(CCCCCn3nnc(-c4ccccc4)n3)CC2)ncn1	ZINC000852129975	GE	On-Demand	Anodyne	HTR2A	20	43
Fc1cc(N2CCN(CCCCCn3nnc(-c4ccccc4)n3)CC2)ncn1	ZINC000852129975	GE	On-Demand	Anodyne	DRD3	42	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccccc1	ZINC000852129980	FC	On-Demand	Reactive	HTR1A	18	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccccc1	ZINC000852129980	FC	On-Demand	Reactive	DRD2	18	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccccc1	ZINC000852129980	FC	On-Demand	Reactive	DRD4	40	31
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccccc1	ZINC000852129980	FC	On-Demand	Reactive	DRD3	28	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccccc1	ZINC000852129980	FC	On-Demand	Reactive	PRNP	55	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccccc1	ZINC000852129980	FC	On-Demand	Reactive	SLC27A1	65	36
O=[N+]([O-])c1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129983	ED	On-Demand	Bother	ABCC1	106	50
O=[N+]([O-])c1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129983	ED	On-Demand	Bother	ABCB1A	53	44
O=[N+]([O-])c1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852129983	ED	On-Demand	Bother	KCNJ1	63	61
Fc1ccc(-c2cc(CN3CCN(c4cc(F)ncn4)CC3)on2)cc1	ZINC000852129985	FF	On-Demand	Anodyne	DRD4	16	51
Fc1cc(N2CCN(Cc3nc4ccccc4s3)CC2)ncn1	ZINC000852129990	EF	On-Demand	Anodyne	DRD4	20	47
CCCCNC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129992	DD	On-Demand	Anodyne	HTR1A	30	46
CCCCNC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129992	DD	On-Demand	Anodyne	DRD2	34	41
CCCCNC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129992	DD	On-Demand	Anodyne	DRD3	57	41
CCCCNC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852129992	DD	On-Demand	Anodyne	HRP1_PLAFA	21	43
N#Cc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852129994	FD	On-Demand	Mild	IKBKB	48	32
N#Cc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852129994	FD	On-Demand	Mild	TRPV4	42	32
N#Cc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852129994	FD	On-Demand	Mild	MCHR1	20	40
N#Cc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852129994	FD	On-Demand	Mild	SLC27A1	53	36
Fc1cc(N2CCN(Cc3ccc(Br)c(F)c3)CC2)ncn1	ZINC000852130004	FF	On-Demand	Anodyne	ABCC1	44	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cc(F)ccc1F	ZINC000852130019	FD	On-Demand	Anodyne	DRD4	22	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cc(F)ccc1F	ZINC000852130019	FD	On-Demand	Anodyne	SLC27A1	76	46
Fc1cc(N2CCN(CCc3c(F)cccc3Cl)CC2)ncn1	ZINC000852130020	EF	On-Demand	Anodyne	ABCC1	79	36
Fc1cc(N2CCN(CCc3c(F)cccc3Cl)CC2)ncn1	ZINC000852130020	EF	On-Demand	Anodyne	ABCB1A	44	32
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852130021	GC	On-Demand	Anodyne	P2RY12	58	37
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852130023	GC	On-Demand	Anodyne	P2RY12	58	37
CC(C)(C)OC(=O)N1CCC(CN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852130024	GE	On-Demand	Anodyne	GPR119	63	53
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130025	GE	On-Demand	Reactive	MME	36	41
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130025	GE	On-Demand	Reactive	GRIA1	43	36
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130025	GE	On-Demand	Reactive	REN	42	37
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130025	GE	On-Demand	Reactive	NPFFR1	45	33
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130026	GE	On-Demand	Reactive	MME	36	41
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130026	GE	On-Demand	Reactive	GRIA1	43	36
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130026	GE	On-Demand	Reactive	REN	42	37
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130026	GE	On-Demand	Reactive	NPFFR1	45	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130028	GE	On-Demand	Anodyne	KIT	20	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130028	GE	On-Demand	Anodyne	KDR	20	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130028	GE	On-Demand	Anodyne	CCR2	23	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130028	GE	On-Demand	Anodyne	EPHX2	15	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130028	GE	On-Demand	Anodyne	SLC27A1	59	37
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130033	GF	On-Demand	Anodyne	AKT3	55	35
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130033	GF	On-Demand	Anodyne	MRGPRX1	43	37
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130034	GF	On-Demand	Anodyne	AKT3	55	35
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130034	GF	On-Demand	Anodyne	MRGPRX1	43	37
Fc1cc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)ncn1	ZINC000852130040	ED	On-Demand	Anodyne	ABCC1	101	37
Fc1cc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)ncn1	ZINC000852130040	ED	On-Demand	Anodyne	ABCB1A	50	33
Fc1cc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)ncn1	ZINC000852130040	ED	On-Demand	Anodyne	KCNJ1	60	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130041	EE	On-Demand	Anodyne	DRD4	32	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130041	EE	On-Demand	Anodyne	KCNQ2	43	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130041	EE	On-Demand	Anodyne	EPHB3	60	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130041	EE	On-Demand	Anodyne	SLC27A1	71	42
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	HTR1A	29	49
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	DRD2	37	49
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	DRD4	37	49
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	HTR2A	20	49
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	DRD3	35	49
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	LTA4H	46	41
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	HTR7	18	49
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	HRH3	32	46
Fc1cc(N2CCN(CCOCCOc3ccccc3)CC2)ncn1	ZINC000852130054	ED	On-Demand	Anodyne	SIGMAR1	19	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(Cl)c1	ZINC000852130058	FE	On-Demand	Anodyne	EGFR	54	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(Cl)c1	ZINC000852130058	FE	On-Demand	Anodyne	DRD4	17	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(Cl)c1	ZINC000852130058	FE	On-Demand	Anodyne	ERBB2	27	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(Cl)c1	ZINC000852130058	FE	On-Demand	Anodyne	IKBKB	54	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(Cl)c1	ZINC000852130058	FE	On-Demand	Anodyne	ERBB4	70	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(Cl)c1	ZINC000852130058	FE	On-Demand	Anodyne	MCHR1	32	51
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)c(Cl)c1	ZINC000852130058	FE	On-Demand	Anodyne	SLC27A1	62	38
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	HTR1A	20	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	DRD2	18	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	DRD4	22	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	DRD3	21	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	LCK	32	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	KDR	22	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	CCR2	17	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	EPHX2	20	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	HCK	24	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	LYN	31	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(F)(F)F)c1	ZINC000852130062	GF	On-Demand	Anodyne	BRAF	34	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@@H]1Cc2ccccc2O1	ZINC000852130074	FC	On-Demand	Anodyne	SLC27A1	46	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC[C@H]1Cc2ccccc2O1	ZINC000852130075	FC	On-Demand	Anodyne	SLC27A1	46	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2ccccc2c1	ZINC000852130095	FF	On-Demand	Anodyne	DRD4	21	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2ccccc2c1	ZINC000852130095	FF	On-Demand	Anodyne	ACOX1	49	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2ccccc2c1	ZINC000852130095	FF	On-Demand	Anodyne	IMDH_CRYPV	34	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2ccccc2c1	ZINC000852130095	FF	On-Demand	Anodyne	SLC27A1	71	41
CCOCCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130096	DB	On-Demand	Anodyne	SLC27A1	57	33
CC(=O)c1cc(Cl)cc(CN2CCN(c3cc(F)ncn3)CC2)c1O	ZINC000852130101	FE	On-Demand	Clean	IKBKB	40	34
Fc1cc(N2CCN(CCCC3CCCC3)CC2)ncn1	ZINC000852130105	CF	On-Demand	Anodyne	HTR1A	15	53
Oc1nc(CN2CCN(c3cc(F)ncn3)CC2)nc2ccccc12	ZINC000852130107	ED	On-Demand	Anodyne	SORD	30	41
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	HTR1A	28	47
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	DRD2	35	47
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	DRD4	26	47
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	HTR2A	26	47
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	SLC6A4	16	41
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	DRD3	30	47
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	HRH3	54	40
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	CHRNA10	25	42
N#Cc1cccc(OCCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130108	EE	On-Demand	Mild	MEN1	46	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852130110	GD	On-Demand	Bother	SLC27A1	45	35
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	HTR1A	58	49
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	DRD2	61	49
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	DRD1	19	48
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	DRD4	47	49
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	HTR2A	53	49
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	SLC6A4	18	45
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	DRD3	55	49
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	HTR7	39	48
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	HRH3	62	51
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	SIGMAR1	28	43
Fc1cc(N2CCN(CCCOc3cccc(Cl)c3)CC2)ncn1	ZINC000852130115	FF	On-Demand	Anodyne	MEN1	42	39
O[C@@H](CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)c(F)c1	ZINC000852130117	ED	On-Demand	Anodyne	ABCC1	44	31
O[C@H](CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)c(F)c1	ZINC000852130119	ED	On-Demand	Anodyne	ABCC1	44	31
Cc1ncsc1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130134	DD	On-Demand	Anodyne	ABCC1	51	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc2c(c1)OCO2	ZINC000852130136	FC	On-Demand	Anodyne	EDNRB	17	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc2c(c1)OCO2	ZINC000852130136	FC	On-Demand	Anodyne	NOS2	110	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc2c(c1)OCO2	ZINC000852130136	FC	On-Demand	Anodyne	CLK4	49	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc2c(c1)OCO2	ZINC000852130136	FC	On-Demand	Anodyne	SLC27A1	59	38
Fc1cc(N2CCN(CCC3CC3)CC2)ncn1	ZINC000852130142	CD	On-Demand	Anodyne	DRD3	19	41
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130148	GD	On-Demand	Anodyne	HTR1A	31	43
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130148	GD	On-Demand	Anodyne	DRD4	31	41
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130148	GD	On-Demand	Anodyne	ADRA1D	15	53
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130148	GD	On-Demand	Anodyne	SLC6A4	15	43
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130148	GD	On-Demand	Anodyne	ADRA1A	15	53
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130148	GD	On-Demand	Anodyne	HTR7	17	42
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130148	GD	On-Demand	Anodyne	ACOX1	75	36
COc1cccc(OC)c1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130148	GD	On-Demand	Anodyne	ABCB1	76	44
COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130150	GD	On-Demand	Anodyne	HTR1A	31	43
COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130150	GD	On-Demand	Anodyne	DRD4	31	41
COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130150	GD	On-Demand	Anodyne	ADRA1D	15	53
COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130150	GD	On-Demand	Anodyne	SLC6A4	15	43
COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130150	GD	On-Demand	Anodyne	ADRA1A	15	53
COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130150	GD	On-Demand	Anodyne	HTR7	17	42
COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130150	GD	On-Demand	Anodyne	ACOX1	75	36
COc1cccc(OC)c1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130150	GD	On-Demand	Anodyne	ABCB1	76	44
COC(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852130154	GE	On-Demand	Anodyne	HTR1A	30	41
COC(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852130154	GE	On-Demand	Anodyne	DRD2	35	40
COC(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852130154	GE	On-Demand	Anodyne	DRD4	44	35
COC(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852130154	GE	On-Demand	Anodyne	HTR4	40	43
COC(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852130154	GE	On-Demand	Anodyne	PDGFRB	47	37
COC(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852130154	GE	On-Demand	Anodyne	SLC9A1	53	37
CCOCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130160	CD	On-Demand	Anodyne	HTR1A	16	42
CCOCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130160	CD	On-Demand	Anodyne	DRD2	21	42
CCOCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130160	CD	On-Demand	Anodyne	DRD4	17	43
CCOCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130160	CD	On-Demand	Anodyne	DRD3	21	43
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1F	ZINC000852130161	ED	On-Demand	Anodyne	ABCC1	70	39
CC[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852130164	GF	On-Demand	Anodyne	AKT2	32	43
CC[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852130164	GF	On-Demand	Anodyne	AKT3	59	43
CC[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852130164	GF	On-Demand	Anodyne	AKT1	31	43
CC[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852130164	GF	On-Demand	Anodyne	SLC27A1	53	32
CC[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852130167	GF	On-Demand	Anodyne	AKT2	32	43
CC[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852130167	GF	On-Demand	Anodyne	AKT3	59	43
CC[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852130167	GF	On-Demand	Anodyne	AKT1	31	43
CC[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852130167	GF	On-Demand	Anodyne	SLC27A1	53	32
C[C@H](C(=O)Nc1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852130181	ED	On-Demand	Anodyne	NPY2R	67	39
C[C@H](C(=O)Nc1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852130181	ED	On-Demand	Anodyne	PRNP	50	39
CN(CC1CC1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130194	DC	On-Demand	Anodyne	SLC27A1	42	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852130203	EE	On-Demand	Anodyne	HTR1A	24	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852130203	EE	On-Demand	Anodyne	DRD4	27	51
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852130203	EE	On-Demand	Anodyne	MCHR1	35	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852130203	EE	On-Demand	Anodyne	LIMK2	26	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852130203	EE	On-Demand	Anodyne	IMDH_CRYPV	17	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1	ZINC000852130203	EE	On-Demand	Anodyne	SLC27A1	65	39
O=C(N[C@H](Cc1ccccc1)C1CC1)N1CCC(N2CCOC2=O)CC1	ZINC000852130211	FF	On-Demand	Anodyne	CALCRL	41	40
O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCC(N2CCOC2=O)CC1	ZINC000852130212	FF	On-Demand	Anodyne	CALCRL	41	40
Fc1ccc(Br)c(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130213	FF	On-Demand	Anodyne	DRD4	17	41
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	HTR1A	71	43
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	DRD2	55	41
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	DRD4	45	43
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	HTR1D	22	43
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	HTR1B	21	43
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	HTR2A	35	41
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	SLC6A4	17	43
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	ADRA1A	15	41
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	DRD3	43	41
Fc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)ncn1	ZINC000852130221	FF	On-Demand	Anodyne	HTR7	48	41
CCN(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130227	CC	On-Demand	Anodyne	SLC27A1	51	38
COc1ccc([C@@H](NC(=O)CN2CCN(c3cc(F)ncn3)CC2)C2CC2)cc1	ZINC000852130229	GE	On-Demand	Anodyne	ACOX1	46	39
COc1ccc([C@@H](NC(=O)CN2CCN(c3cc(F)ncn3)CC2)C2CC2)cc1	ZINC000852130229	GE	On-Demand	Anodyne	SLC27A1	46	34
COc1ccc([C@H](NC(=O)CN2CCN(c3cc(F)ncn3)CC2)C2CC2)cc1	ZINC000852130230	GE	On-Demand	Anodyne	ACOX1	46	39
COc1ccc([C@H](NC(=O)CN2CCN(c3cc(F)ncn3)CC2)C2CC2)cc1	ZINC000852130230	GE	On-Demand	Anodyne	SLC27A1	46	34
COc1ccc(C)cc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130246	FD	On-Demand	Anodyne	DRD4	27	48
COc1ccc(C)cc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130246	FD	On-Demand	Anodyne	SLC27A1	67	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCC1	ZINC000852130250	CB	On-Demand	Anodyne	SLC27A1	63	35
O=[N+]([O-])c1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130254	ED	On-Demand	Bother	DRD4	40	32
O=[N+]([O-])c1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130254	ED	On-Demand	Bother	LTA4H	16	55
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCN(c2ccccn2)CC1	ZINC000852130255	GC	On-Demand	Anodyne	HTR1A	36	56
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCN(c2ccccn2)CC1	ZINC000852130255	GC	On-Demand	Anodyne	DRD2	26	53
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCN(c2ccccn2)CC1	ZINC000852130255	GC	On-Demand	Anodyne	DRD4	46	53
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCN(c2ccccn2)CC1	ZINC000852130255	GC	On-Demand	Anodyne	DRD3	20	53
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCN(c2ccccn2)CC1	ZINC000852130255	GC	On-Demand	Anodyne	HTR7	28	48
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1Cl	ZINC000852130259	GE	On-Demand	Anodyne	HTR1A	44	46
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1Cl	ZINC000852130259	GE	On-Demand	Anodyne	DRD4	43	36
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1Cl	ZINC000852130259	GE	On-Demand	Anodyne	HTR2A	32	46
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1Cl	ZINC000852130259	GE	On-Demand	Anodyne	HTR2C	22	46
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1Cl	ZINC000852130259	GE	On-Demand	Anodyne	DRD3	50	38
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1Cl	ZINC000852130259	GE	On-Demand	Anodyne	HTR7	58	46
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1Cl	ZINC000852130259	GE	On-Demand	Anodyne	PRCP	18	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCc1ccccc1Cl	ZINC000852130259	GE	On-Demand	Anodyne	P2RX7	66	40
Fc1cc(N2CCN(Cc3ccccn3)CC2)ncn1	ZINC000852130260	CD	On-Demand	Anodyne	DRD2	18	46
Fc1cc(N2CCN(Cc3ccccn3)CC2)ncn1	ZINC000852130260	CD	On-Demand	Anodyne	DRD4	49	46
Fc1cc(N2CCN(Cc3ccccn3)CC2)ncn1	ZINC000852130260	CD	On-Demand	Anodyne	DRD3	15	46
O=[N+]([O-])c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130275	ED	On-Demand	Bother	KCNH2	17	45
O=[N+]([O-])c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130275	ED	On-Demand	Bother	LTA4H	39	56
O=[N+]([O-])c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130275	ED	On-Demand	Bother	HRH3	15	50
O=[N+]([O-])c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130275	ED	On-Demand	Bother	KCNJ1	27	40
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	HTR1A	20	51
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	DRD2	29	51
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	DRD4	18	51
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	HTR2A	20	51
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	SLC6A4	16	45
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	DRD3	24	51
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	PDGFRB	17	40
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	HRH3	70	46
N#Cc1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130282	EE	On-Demand	Mild	MEN1	56	48
C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852130285	ED	On-Demand	Anodyne	SLC27A1	55	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1CCOCC1	ZINC000852130294	DC	On-Demand	Anodyne	SLC27A1	64	37
CS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130297	GD	On-Demand	Anodyne	HTR1A	30	48
CS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130297	GD	On-Demand	Anodyne	DRD2	37	48
CS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130297	GD	On-Demand	Anodyne	DRD4	17	49
CS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130297	GD	On-Demand	Anodyne	HTR2A	33	48
CS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130297	GD	On-Demand	Anodyne	DRD3	34	49
CS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130297	GD	On-Demand	Anodyne	HTR3A	18	40
CS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130297	GD	On-Demand	Anodyne	HTR7	37	48
CS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130297	GD	On-Demand	Anodyne	HRH3	80	46
O=C1CCC(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130305	DB	On-Demand	Anodyne	ADRA1D	26	49
O=C1CCC(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130305	DB	On-Demand	Anodyne	ADRA1B	18	49
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130306	FE	On-Demand	Anodyne	HTR1A	37	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130306	FE	On-Demand	Anodyne	DRD2	32	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130306	FE	On-Demand	Anodyne	DRD4	41	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130306	FE	On-Demand	Anodyne	DRD3	41	37
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130306	FE	On-Demand	Anodyne	HTR7	42	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130306	FE	On-Demand	Anodyne	EPHB3	58	34
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Cl	ZINC000852130306	FE	On-Demand	Anodyne	SLC27A1	46	34
N#Cc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130309	ED	On-Demand	Mild	DRD2	18	43
N#Cc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130309	ED	On-Demand	Mild	DRD3	15	41
N#Cc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130309	ED	On-Demand	Mild	CHRNA10	29	42
O=c1ccccn1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130312	DC	On-Demand	Anodyne	HTR1A	45	38
CN(C)C(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130313	ED	On-Demand	Anodyne	HTR1A	20	45
CN(C)C(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130313	ED	On-Demand	Anodyne	DRD2	19	47
CN(C)C(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130313	ED	On-Demand	Anodyne	DRD4	40	32
CN(C)C(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130313	ED	On-Demand	Anodyne	DRD3	15	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(OC(F)F)cc1	ZINC000852130324	GD	On-Demand	Anodyne	HTR7	16	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(OC(F)F)cc1	ZINC000852130324	GD	On-Demand	Anodyne	SLC27A1	54	34
COC(=O)CNC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130327	EB	On-Demand	Anodyne	DRD4	41	33
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1SC	ZINC000852130328	EF	On-Demand	Anodyne	DRD2	15	44
Fc1cc(N2CCN(Cc3cccc4cccnc34)CC2)ncn1	ZINC000852130329	DE	On-Demand	Anodyne	DRD4	28	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCN1CCc2ccccc21	ZINC000852130335	GC	On-Demand	Anodyne	DRD4	43	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCN1CCc2ccccc21	ZINC000852130335	GC	On-Demand	Anodyne	DRD3	54	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCN1CCc2ccccc21	ZINC000852130335	GC	On-Demand	Anodyne	SLC27A1	53	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1F	ZINC000852130336	ED	On-Demand	Anodyne	DRD4	28	48
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1F	ZINC000852130336	ED	On-Demand	Anodyne	SLC27A1	73	43
N#CCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130337	CB	On-Demand	Mild	SLC27A1	63	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000852130338	GD	On-Demand	Anodyne	SLC27A1	59	38
COCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130343	CD	On-Demand	Anodyne	HTR1A	49	42
COCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130343	CD	On-Demand	Anodyne	DRD2	52	42
COCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130343	CD	On-Demand	Anodyne	DRD1	18	40
COCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130343	CD	On-Demand	Anodyne	DRD4	39	40
COCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130343	CD	On-Demand	Anodyne	HTR2A	25	42
COCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130343	CD	On-Demand	Anodyne	DRD3	62	40
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)C(=O)N(C)C	ZINC000852130348	EB	On-Demand	Anodyne	SLC27A1	60	33
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)C(=O)N(C)C	ZINC000852130349	EB	On-Demand	Anodyne	SLC27A1	60	33
N#Cc1ccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130355	FC	On-Demand	Mild	SLC27A1	61	35
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	HTR1A	19	48
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	DRD2	23	48
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	HTR2A	20	48
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	DRD3	22	48
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	KCNH2	17	44
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	LTA4H	15	49
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	HRH3	62	44
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	KCNJ1	26	40
O=[N+]([O-])c1ccc(OCCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130361	FE	On-Demand	Bother	MEN1	41	34
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130366	FD	On-Demand	Reactive	CTRA_BOVIN	49	31
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130366	FD	On-Demand	Reactive	CELA2A	40	31
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130367	FD	On-Demand	Reactive	CTRA_BOVIN	49	31
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130367	FD	On-Demand	Reactive	CELA2A	40	31
CCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130368	CD	On-Demand	Anodyne	HTR1A	31	47
CCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130368	CD	On-Demand	Anodyne	DRD2	27	42
CCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130368	CD	On-Demand	Anodyne	DRD4	25	41
CCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130368	CD	On-Demand	Anodyne	DRD3	33	41
CCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130368	CD	On-Demand	Anodyne	HTR7	23	40
Fc1cc(N2CCN(Cc3cccc(OC(F)F)c3)CC2)ncn1	ZINC000852130369	EF	On-Demand	Anodyne	DRD4	17	43
COC(=O)N(C)CCNC(=O)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130371	DE	On-Demand	Anodyne	MME	47	34
COC(=O)N(C)CCNC(=O)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130372	DE	On-Demand	Anodyne	MME	47	34
Fc1cc(N2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)ncn1	ZINC000852130373	GF	On-Demand	Anodyne	DRD2	17	44
Fc1cc(N2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)ncn1	ZINC000852130373	GF	On-Demand	Anodyne	DRD4	38	44
Fc1cc(N2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)ncn1	ZINC000852130373	GF	On-Demand	Anodyne	DRD3	15	44
N#Cc1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130402	FD	On-Demand	Mild	DRD4	15	40
N#Cc1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130402	FD	On-Demand	Mild	PDGFRB	24	44
O=c1cc(CN2CCN(c3cc(F)ncn3)CC2)c2ccc(O)cc2o1	ZINC000852130413	FD	On-Demand	Anodyne	HSD17B3	37	47
NC(=O)c1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130420	FC	On-Demand	Anodyne	MAPK9	41	35
NC(=O)c1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130420	FC	On-Demand	Anodyne	MAPK10	42	35
NC(=O)c1ccccc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130420	FC	On-Demand	Anodyne	SLC27A1	70	41
Oc1nc(CN2CCN(c3cc(F)ncn3)CC2)nc2c1oc1ccccc12	ZINC000852130426	GE	On-Demand	Anodyne	PIM1	22	52
Oc1nc(CN2CCN(c3cc(F)ncn3)CC2)nc2c1oc1ccccc12	ZINC000852130426	GE	On-Demand	Anodyne	PIM2	17	52
Oc1nc(CN2CCN(c3cc(F)ncn3)CC2)nc2c1oc1ccccc12	ZINC000852130426	GE	On-Demand	Anodyne	CDC7	22	52
Oc1nc(CN2CCN(c3cc(F)ncn3)CC2)nc2c1oc1ccccc12	ZINC000852130426	GE	On-Demand	Anodyne	PIM3	30	52
COC(=O)N(C)CCNC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	ZINC000852130438	EE	On-Demand	Anodyne	CCR3	17	41
COC(=O)N(C)CCNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1	ZINC000852130439	EE	On-Demand	Anodyne	CCR3	17	41
COC(=O)N(C)CCNC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	ZINC000852130440	EE	On-Demand	Anodyne	CCR3	17	41
COC(=O)N(C)CCNC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1	ZINC000852130441	EE	On-Demand	Anodyne	CCR3	17	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cc(Cl)ccc1Cl	ZINC000852130468	GG	On-Demand	Anodyne	EGFR	17	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cc(Cl)ccc1Cl	ZINC000852130468	GG	On-Demand	Anodyne	HTR7	20	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cc(Cl)ccc1Cl	ZINC000852130468	GG	On-Demand	Anodyne	ABCC1	40	32
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cc(Cl)ccc1Cl	ZINC000852130468	GG	On-Demand	Anodyne	ERBB4	41	35
O=C1CCC2=C(CCN(C(=O)N[C@H](Cc3ccccc3)C3CC3)C2)N1	ZINC000852130480	EF	On-Demand	Anodyne	MME	43	33
O=C1CCC2=C(CCN(C(=O)N[C@@H](Cc3ccccc3)C3CC3)C2)N1	ZINC000852130481	EF	On-Demand	Anodyne	MME	43	33
COCCN(CCF)C(=O)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130483	DF	On-Demand	Anodyne	MME	58	34
COCCN(CCF)C(=O)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130483	DF	On-Demand	Anodyne	TIMP3	40	33
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852130485	FD	On-Demand	Anodyne	DRD4	17	43
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852130485	FD	On-Demand	Anodyne	P2RX3	16	41
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852130485	FD	On-Demand	Anodyne	ACOX1	23	50
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852130485	FD	On-Demand	Anodyne	SLC27A1	69	39
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852130486	FD	On-Demand	Anodyne	DRD4	17	43
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852130486	FD	On-Demand	Anodyne	P2RX3	16	41
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852130486	FD	On-Demand	Anodyne	ACOX1	23	50
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852130486	FD	On-Demand	Anodyne	SLC27A1	69	39
Fc1cc(N2CCN(Cc3ccc4ccccc4n3)CC2)ncn1	ZINC000852130489	DE	On-Demand	Anodyne	HTR3A	27	43
Fc1cc(N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)ncn1	ZINC000852130495	GE	On-Demand	Anodyne	DRD4	16	59
O=C(c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1)N1CCCCC1	ZINC000852130496	GF	On-Demand	Anodyne	HTR1A	15	64
O=C(c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1)N1CCCCC1	ZINC000852130496	GF	On-Demand	Anodyne	DRD4	16	40
O=C(c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1)N1CCCCC1	ZINC000852130496	GF	On-Demand	Anodyne	FAAH	15	52
O=C(c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1)N1CCCCC1	ZINC000852130496	GF	On-Demand	Anodyne	PARP1	18	44
Fc1cc(N2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)ncn1	ZINC000852130504	GF	On-Demand	Anodyne	CLK2	46	38
Fc1cc(N2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)ncn1	ZINC000852130504	GF	On-Demand	Anodyne	CLK4	70	38
COCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130510	CD	On-Demand	Anodyne	HTR1A	51	41
COCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130510	CD	On-Demand	Anodyne	DRD2	55	41
COCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130510	CD	On-Demand	Anodyne	DRD1	17	41
COCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130510	CD	On-Demand	Anodyne	DRD4	40	41
COCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130510	CD	On-Demand	Anodyne	HTR2A	27	40
COCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130510	CD	On-Demand	Anodyne	DRD3	66	41
COCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130510	CD	On-Demand	Anodyne	HTR7	29	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCO[C@H]2CCCC[C@H]21	ZINC000852130513	FC	On-Demand	Anodyne	SLC27A1	49	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCO[C@H]2CCCC[C@@H]21	ZINC000852130514	FC	On-Demand	Anodyne	SLC27A1	49	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCO[C@@H]2CCCC[C@H]21	ZINC000852130515	FC	On-Demand	Anodyne	SLC27A1	49	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000852130516	FC	On-Demand	Anodyne	SLC27A1	49	32
CCOC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130519	CC	On-Demand	Anodyne	ACOX1	54	32
CCOC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130519	CC	On-Demand	Anodyne	ABCB1	42	32
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130521	FD	On-Demand	Anodyne	HTR1A	46	53
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130521	FD	On-Demand	Anodyne	DRD2	38	42
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130521	FD	On-Demand	Anodyne	DRD4	28	41
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130521	FD	On-Demand	Anodyne	HTR2A	38	41
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130521	FD	On-Demand	Anodyne	DRD3	38	41
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130521	FD	On-Demand	Anodyne	HTR7	67	41
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130521	FD	On-Demand	Anodyne	SIGMAR1	18	42
Fc1cc(N2CCN(Cc3ccc(Cl)c4cccnc34)CC2)ncn1	ZINC000852130528	FG	On-Demand	Anodyne	DRD4	24	41
O=C(NCc1ccco1)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130529	GE	On-Demand	Anodyne	DRD4	42	33
O=C(NCc1ccco1)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130529	GE	On-Demand	Anodyne	DRD3	16	43
O=C(NCc1ccco1)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130529	GE	On-Demand	Anodyne	CHRM3	15	42
O=C(NCc1ncccn1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130531	CE	On-Demand	Anodyne	MME	53	35
O=C(NCc1ncccn1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130532	CE	On-Demand	Anodyne	MME	53	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1CCC1	ZINC000852130533	DC	On-Demand	Anodyne	CACNA1I	50	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1CCC1	ZINC000852130533	DC	On-Demand	Anodyne	SLC27A1	63	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCOc2ccccc21	ZINC000852130534	FD	On-Demand	Anodyne	BDKRB1	22	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCOc2ccccc21	ZINC000852130534	FD	On-Demand	Anodyne	LUXR	50	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCOc2ccccc21	ZINC000852130534	FD	On-Demand	Anodyne	TRAR	51	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCOc2ccccc21	ZINC000852130534	FD	On-Demand	Anodyne	SLC27A1	56	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCOc2ccccc21	ZINC000852130535	FD	On-Demand	Anodyne	BDKRB1	22	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCOc2ccccc21	ZINC000852130535	FD	On-Demand	Anodyne	LUXR	50	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCOc2ccccc21	ZINC000852130535	FD	On-Demand	Anodyne	TRAR	51	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCOc2ccccc21	ZINC000852130535	FD	On-Demand	Anodyne	SLC27A1	56	34
Fc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130536	DD	On-Demand	Anodyne	HTR1A	23	45
Fc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130536	DD	On-Demand	Anodyne	DRD2	28	45
Fc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130536	DD	On-Demand	Anodyne	DRD4	30	45
Fc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130536	DD	On-Demand	Anodyne	HTR2A	20	45
Fc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130536	DD	On-Demand	Anodyne	DRD3	20	45
Fc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130536	DD	On-Demand	Anodyne	LTA4H	36	42
Fc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130536	DD	On-Demand	Anodyne	CHRNA10	37	41
COC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130537	CB	On-Demand	Anodyne	ACOX1	59	33
COC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130537	CB	On-Demand	Anodyne	ABCB1	49	38
Fc1cc(N2CCN(Cc3nc4ccccc4n3C(F)F)CC2)ncn1	ZINC000852130541	FF	On-Demand	Anodyne	GRM2	18	47
Fc1cc(N2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)ncn1	ZINC000852130547	FG	On-Demand	Anodyne	DRD4	22	46
Fc1cc(CN2CCN(c3cc(F)ncn3)CC2)c2ncccc2c1	ZINC000852130549	EF	On-Demand	Anodyne	DRD4	29	43
Fc1cc(N2CCN(Cc3cnn(-c4ccccc4)n3)CC2)ncn1	ZINC000852130550	ED	On-Demand	Anodyne	DRD4	37	41
C[C@@H](CCc1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852130551	DF	On-Demand	Anodyne	SORD	40	32
C[C@H](CCc1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852130552	DF	On-Demand	Anodyne	SORD	40	32
Fc1cc(N2CCN(CCCOCC(F)(F)F)CC2)ncn1	ZINC000852130556	DD	On-Demand	Anodyne	DRD3	16	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852130557	GE	On-Demand	Anodyne	HTR1A	26	64
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852130557	GE	On-Demand	Anodyne	DRD2	19	60
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852130557	GE	On-Demand	Anodyne	DRD4	20	51
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852130557	GE	On-Demand	Anodyne	HTR7	29	64
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852130557	GE	On-Demand	Anodyne	BDKRB1	59	39
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000852130557	GE	On-Demand	Anodyne	SLC27A1	41	32
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852130558	GE	On-Demand	Anodyne	HTR1A	26	64
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852130558	GE	On-Demand	Anodyne	DRD2	19	60
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852130558	GE	On-Demand	Anodyne	DRD4	20	51
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852130558	GE	On-Demand	Anodyne	HTR7	29	64
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852130558	GE	On-Demand	Anodyne	BDKRB1	59	39
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N[C@H]1CCCc2ccccc21	ZINC000852130558	GE	On-Demand	Anodyne	SLC27A1	41	32
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCC1CCCCC1	ZINC000852130559	ED	On-Demand	Anodyne	CACNA1I	44	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccn1	ZINC000852130570	EC	On-Demand	Anodyne	HTR1A	23	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccn1	ZINC000852130570	EC	On-Demand	Anodyne	HTR7	26	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccccn1	ZINC000852130570	EC	On-Demand	Anodyne	SLC27A1	66	43
N#Cc1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852130579	GE	On-Demand	Mild	IKBKB	53	35
N#Cc1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852130579	GE	On-Demand	Mild	TRPV4	40	31
N#Cc1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852130579	GE	On-Demand	Mild	ERBB4	45	36
N#Cc1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852130579	GE	On-Demand	Mild	MCHR1	23	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc2nsnc12	ZINC000852130582	FD	On-Demand	Anodyne	SLC27A1	69	41
COC(=O)c1ccc(C)c(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130585	GD	On-Demand	Anodyne	ACOX1	40	33
COC(=O)c1ccc(C)c(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130585	GD	On-Demand	Anodyne	SLC27A1	64	37
CC(=O)Nc1ccc2c(CN3CCN(c4cc(F)ncn4)CC3)cc(=O)oc2c1	ZINC000852130589	GE	On-Demand	Anodyne	IKBKB	42	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1cccs1	ZINC000852130600	FC	On-Demand	Reactive	SLC27A1	62	35
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852130638	GC	On-Demand	Anodyne	PRNP	40	41
Fc1cc(N2CCN(Cc3csc(Cc4ccccc4)n3)CC2)ncn1	ZINC000852130686	FF	On-Demand	Anodyne	DRD4	19	46
Fc1cc(N2CCN(Cc3csc(Cc4ccccc4)n3)CC2)ncn1	ZINC000852130686	FF	On-Demand	Anodyne	SCN5A	49	39
Fc1cc(N2CCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)ncn1	ZINC000852130687	GD	On-Demand	Anodyne	CLK2	43	33
Fc1cc(N2CCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)ncn1	ZINC000852130687	GD	On-Demand	Anodyne	CLK4	66	33
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	HTR1A	60	51
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	DRD2	61	43
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	DRD4	42	33
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	ADRA1D	44	39
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	HTR2A	46	43
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	HTR2C	33	42
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	ADRA1A	54	38
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	DRD3	91	43
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	HTR7	47	35
CC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130694	CC	On-Demand	Anodyne	SIRT3	35	45
Fc1cc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)ncn1	ZINC000852130702	FF	On-Demand	Anodyne	ABCC1	48	32
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130703	GG	On-Demand	Clean	MME	43	35
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130703	GG	On-Demand	Clean	CYP51A1	20	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130703	GG	On-Demand	Clean	ITGA4	30	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130703	GG	On-Demand	Clean	STAT6	15	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130703	GG	On-Demand	Clean	SLC12A5	41	31
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130704	GG	On-Demand	Clean	MME	43	35
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130704	GG	On-Demand	Clean	CYP51A1	20	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130704	GG	On-Demand	Clean	ITGA4	30	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130704	GG	On-Demand	Clean	STAT6	15	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130704	GG	On-Demand	Clean	SLC12A5	41	31
Fc1cc(N2CCN(Cc3csc(-c4ccccn4)n3)CC2)ncn1	ZINC000852130714	FE	On-Demand	Anodyne	DRD4	27	41
CS(=O)(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130721	DB	On-Demand	Anodyne	SIRT3	31	50
CS(=O)(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130721	DB	On-Demand	Anodyne	SIRT2	26	50
Fc1cc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)ncn1	ZINC000852130722	FD	On-Demand	Anodyne	DRD2	27	43
Fc1cc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)ncn1	ZINC000852130722	FD	On-Demand	Anodyne	HTR2A	19	46
Fc1cc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)ncn1	ZINC000852130722	FD	On-Demand	Anodyne	DRD3	22	46
Fc1cc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)ncn1	ZINC000852130722	FD	On-Demand	Anodyne	HRH3	57	54
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	HTR1A	23	48
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	DRD2	20	43
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	DRD4	34	41
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	HTR1D	26	48
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	HTR1B	21	43
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	IKBKB	40	33
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	FAAH	22	43
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	MCHR1	38	44
CC(=O)Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130730	ED	On-Demand	Anodyne	SLC27A1	50	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)OCc1ccccc1	ZINC000852130732	ED	On-Demand	Anodyne	SLC12A5	65	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)OCc1ccccc1	ZINC000852130732	ED	On-Demand	Anodyne	SLC27A1	57	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(C(=O)C2CC2)CC1	ZINC000852130739	GB	On-Demand	Anodyne	SLC27A1	42	34
Fc1cc(N2CCN(Cc3ccccc3Oc3cccnc3)CC2)ncn1	ZINC000852130750	FG	On-Demand	Anodyne	DRD4	29	42
Fc1cc(N2CCN(Cc3ccccc3Oc3cccnc3)CC2)ncn1	ZINC000852130750	FG	On-Demand	Anodyne	CCR8	18	41
CN(Cc1cnn(C)c1)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130759	EC	On-Demand	Anodyne	PLA2G7	53	39
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852130764	ED	On-Demand	Anodyne	HTR1A	45	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852130764	ED	On-Demand	Anodyne	DRD2	31	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852130764	ED	On-Demand	Anodyne	DRD4	47	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852130764	ED	On-Demand	Anodyne	DRD3	37	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852130764	ED	On-Demand	Anodyne	HTR7	53	38
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852130764	ED	On-Demand	Anodyne	CHRNA7	20	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852130764	ED	On-Demand	Anodyne	PRNP	51	37
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1	ZINC000852130764	ED	On-Demand	Anodyne	SLC27A1	47	34
CN1CCCC[C@H]1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130766	DD	On-Demand	Anodyne	CHRNA10	58	40
CN1CCCC[C@H]1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130766	DD	On-Demand	Anodyne	ACKR3	43	29
CN1CCCC[C@@H]1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130771	DD	On-Demand	Anodyne	CHRNA10	58	40
CN1CCCC[C@@H]1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130771	DD	On-Demand	Anodyne	ACKR3	43	29
Fc1cc(N2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)ncn1	ZINC000852130773	GF	On-Demand	Anodyne	DRD4	19	43
Fc1ccc(F)c(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130790	DE	On-Demand	Anodyne	DRD4	29	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2c(c1)CCC2	ZINC000852130798	FD	On-Demand	Anodyne	ACOX1	31	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2c(c1)CCC2	ZINC000852130798	FD	On-Demand	Anodyne	IKBKB	48	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2c(c1)CCC2	ZINC000852130798	FD	On-Demand	Anodyne	SLC27A1	69	41
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	HTR1A	35	42
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	DRD2	32	51
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	DRD4	30	44
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	HTR2A	25	42
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	DRD3	24	42
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	HTR7	18	42
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	SIGMAR1	26	51
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	ABCC1	109	41
Fc1cc(N2CCN(CCc3ccc4ccccc4c3)CC2)ncn1	ZINC000852130799	EG	On-Demand	Anodyne	ABCB1A	56	38
CCOC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130801	CD	On-Demand	Anodyne	DRD2	31	40
CCOC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130801	CD	On-Demand	Anodyne	DRD3	39	40
CCOC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130801	CD	On-Demand	Anodyne	HTR7	46	35
N#Cc1cccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130804	FC	On-Demand	Mild	SLC27A1	55	34
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130809	GD	On-Demand	Anodyne	ADRB1	34	45
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130809	GD	On-Demand	Anodyne	PDGFRB	47	35
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130809	GD	On-Demand	Anodyne	ADRB3	23	40
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130809	GD	On-Demand	Anodyne	ACOX1	91	45
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130809	GD	On-Demand	Anodyne	ABCB1	61	46
CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130810	GD	On-Demand	Anodyne	ADRB1	34	45
CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130810	GD	On-Demand	Anodyne	PDGFRB	47	35
CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130810	GD	On-Demand	Anodyne	ADRB3	23	40
CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130810	GD	On-Demand	Anodyne	ACOX1	91	45
CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130810	GD	On-Demand	Anodyne	ABCB1	61	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cc(F)cc(F)c1	ZINC000852130811	FD	On-Demand	Anodyne	SLC27A1	71	42
COc1ccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130842	FD	On-Demand	Anodyne	PDGFRB	53	40
COc1ccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130842	FD	On-Demand	Anodyne	NPY2R	34	41
COc1ccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852130842	FD	On-Demand	Anodyne	GALR2	42	34
Nc1nc(CN2CCN(c3cc(F)ncn3)CC2)nc2ccccc12	ZINC000852130851	ED	On-Demand	Anodyne	HTR3A	17	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccnc1Cl	ZINC000852130878	FD	On-Demand	Anodyne	SLC27A1	68	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccnc1Cl	ZINC000852130878	FD	On-Demand	Anodyne	G2YM83_BOTF4	56	31
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc2ccccc12	ZINC000852130879	GF	On-Demand	Anodyne	HTR1A	57	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc2ccccc12	ZINC000852130879	GF	On-Demand	Anodyne	DRD4	37	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc2ccccc12	ZINC000852130879	GF	On-Demand	Anodyne	HTR7	69	43
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc2ccccc12	ZINC000852130879	GF	On-Demand	Anodyne	SLC27A1	54	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nncs1	ZINC000852130887	DC	On-Demand	Anodyne	SLC27A1	67	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852130898	GD	On-Demand	Anodyne	DRD4	42	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852130898	GD	On-Demand	Anodyne	MAPK13	52	31
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852130898	GD	On-Demand	Anodyne	SLC27A1	53	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)NCc1ccccc1	ZINC000852130906	FC	On-Demand	Anodyne	SLC27A1	64	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852130909	GD	On-Demand	Anodyne	PRNP	45	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852130909	GD	On-Demand	Anodyne	STAT6	40	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852130909	GD	On-Demand	Anodyne	SLC27A1	76	47
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1F	ZINC000852130920	ED	On-Demand	Anodyne	HTR1A	35	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1F	ZINC000852130920	ED	On-Demand	Anodyne	DRD2	28	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1F	ZINC000852130920	ED	On-Demand	Anodyne	DRD4	43	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1F	ZINC000852130920	ED	On-Demand	Anodyne	HTR7	42	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1F	ZINC000852130920	ED	On-Demand	Anodyne	SLC27A1	47	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1C(F)(F)F	ZINC000852130929	GE	On-Demand	Anodyne	DRD4	18	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1C(F)(F)F	ZINC000852130929	GE	On-Demand	Anodyne	RBP4	53	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1C(F)(F)F	ZINC000852130929	GE	On-Demand	Anodyne	SLC27A1	69	41
O=C1[C@@H](N2CCN(c3cc(F)ncn3)CC2)CCN1c1ccccc1Cl	ZINC000852130930	GE	On-Demand	Anodyne	DCK	25	40
O=C1[C@H](N2CCN(c3cc(F)ncn3)CC2)CCN1c1ccccc1Cl	ZINC000852130931	GE	On-Demand	Anodyne	DCK	25	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC(=O)N1CCCC1	ZINC000852130935	FB	On-Demand	Anodyne	SLC27A1	62	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cccnc1	ZINC000852130936	EC	On-Demand	Anodyne	HTR7	16	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cccnc1	ZINC000852130936	EC	On-Demand	Anodyne	NAMPT	61	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cccnc1	ZINC000852130936	EC	On-Demand	Anodyne	SLC27A1	65	37
CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130944	BD	On-Demand	Anodyne	HTR1A	18	46
CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130944	BD	On-Demand	Anodyne	DRD2	19	43
CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130944	BD	On-Demand	Anodyne	DRD3	21	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)N(c1ccccc1)C1CCCCC1	ZINC000852130949	GG	On-Demand	Anodyne	SLC27A1	55	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1CCN(C2CC2)CC1	ZINC000852130951	FC	On-Demand	Anodyne	SLC27A1	43	33
C[C@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)C(=O)N1CCCCC1	ZINC000852130952	GC	On-Demand	Anodyne	SLC27A1	55	34
C[C@@H](NC(=O)CN1CCN(c2cc(F)ncn2)CC1)C(=O)N1CCCCC1	ZINC000852130953	GC	On-Demand	Anodyne	SLC27A1	55	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1(c2ccccc2)CCCC1	ZINC000852130956	GE	On-Demand	Anodyne	KCNA3	40	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1(c2ccccc2)CCCC1	ZINC000852130956	GE	On-Demand	Anodyne	NPFFR1	21	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC1(c2ccccc2)CCCC1	ZINC000852130956	GE	On-Demand	Anodyne	SLC27A1	64	36
O=[S@](CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130960	ED	On-Demand	Anodyne	DRD2	21	40
O=[S@](CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130960	ED	On-Demand	Anodyne	DRD4	30	40
O=[S@@](CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130961	ED	On-Demand	Anodyne	DRD2	21	40
O=[S@@](CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852130961	ED	On-Demand	Anodyne	DRD4	30	40
Fc1cc(N2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852130962	FF	On-Demand	Anodyne	DRD2	16	44
Fc1cc(N2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852130962	FF	On-Demand	Anodyne	DRD3	16	57
Fc1cc(N2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852130962	FF	On-Demand	Anodyne	LTA4H	44	55
Fc1cc(N2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)ncn1	ZINC000852130962	FF	On-Demand	Anodyne	PSMB1	41	42
Fc1cc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)ncn1	ZINC000852130972	ED	On-Demand	Anodyne	DRD4	37	65
Fc1cc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2)ncn1	ZINC000852130972	ED	On-Demand	Anodyne	DRD3	16	56
CCOC(=O)CCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130973	DD	On-Demand	Anodyne	HTR1A	41	39
CCOC(=O)CCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130973	DD	On-Demand	Anodyne	HTR7	58	39
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852130974	ED	On-Demand	Anodyne	HTR1A	25	48
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852130974	ED	On-Demand	Anodyne	DRD2	15	48
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852130974	ED	On-Demand	Anodyne	DRD4	35	48
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852130974	ED	On-Demand	Anodyne	HTR1D	21	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852130974	ED	On-Demand	Anodyne	HTR1B	17	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852130974	ED	On-Demand	Anodyne	MCHR1	21	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852130974	ED	On-Demand	Anodyne	AURKA	29	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(F)c1	ZINC000852130974	ED	On-Demand	Anodyne	SLC27A1	49	34
O=C(NCC1SCCS1)N[C@@H](Cc1ccccc1)C1CC1	ZINC000852130975	DG	On-Demand	Anodyne	MME	57	35
O=C(NCC1SCCS1)N[C@H](Cc1ccccc1)C1CC1	ZINC000852130976	DG	On-Demand	Anodyne	MME	57	35
O[C@@H](COc1ccc2c(c1)OCO2)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130977	GC	On-Demand	Anodyne	ACOX1	84	37
O[C@@H](COc1ccc2c(c1)OCO2)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130977	GC	On-Demand	Anodyne	ABCB1	48	40
O[C@H](COc1ccc2c(c1)OCO2)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130978	GC	On-Demand	Anodyne	ACOX1	84	37
O[C@H](COc1ccc2c(c1)OCO2)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852130978	GC	On-Demand	Anodyne	ABCB1	48	40
N#Cc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852130984	ED	On-Demand	Mild	DCK	32	43
CC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130990	FD	On-Demand	Anodyne	DRD4	40	32
CC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130990	FD	On-Demand	Anodyne	CCR3	23	40
CC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130990	FD	On-Demand	Anodyne	PRNP	46	35
CC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130990	FD	On-Demand	Anodyne	SLC27A1	67	38
CS(=O)(=O)c1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130995	GD	On-Demand	Anodyne	HTR1A	21	42
CS(=O)(=O)c1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130995	GD	On-Demand	Anodyne	DRD2	22	45
CS(=O)(=O)c1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130995	GD	On-Demand	Anodyne	DRD4	40	32
CS(=O)(=O)c1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852130995	GD	On-Demand	Anodyne	NR1H3	41	33
N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131000	FD	On-Demand	Mild	DRD4	15	41
N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131000	FD	On-Demand	Mild	SLC27A1	65	40
C[C@@H](C1CC1)N(C(=O)CN1CCN(c2cc(F)ncn2)CC1)C1CC1	ZINC000852131010	ED	On-Demand	Anodyne	SLC27A1	40	32
Fc1ccc(-n2ccc(CN3CCN(c4cc(F)ncn4)CC3)n2)cc1	ZINC000852131018	FE	On-Demand	Anodyne	DRD4	23	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852131027	GE	On-Demand	Anodyne	TRPV1	28	47
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852131027	GE	On-Demand	Anodyne	EPHX2	27	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852131027	GE	On-Demand	Anodyne	MCHR1	23	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852131027	GE	On-Demand	Anodyne	TRPM8	40	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852131027	GE	On-Demand	Anodyne	SLC27A1	63	39
N#Cc1cccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131044	FD	On-Demand	Mild	HTR1A	20	44
N#Cc1cccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131044	FD	On-Demand	Mild	CCR3	19	42
N#Cc1cccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131044	FD	On-Demand	Mild	MCHR1	43	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Br	ZINC000852131054	GE	On-Demand	Anodyne	DRD4	21	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1Br	ZINC000852131054	GE	On-Demand	Anodyne	SLC27A1	71	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC1(c2ccccc2)CCC1	ZINC000852131061	FD	On-Demand	Anodyne	SLC27A1	64	36
COc1ccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1OC	ZINC000852131062	GD	On-Demand	Anodyne	PDGFRB	50	41
COc1ccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1OC	ZINC000852131062	GD	On-Demand	Anodyne	ENPP1	74	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852131102	GE	On-Demand	Anodyne	PDGFRB	43	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852131102	GE	On-Demand	Anodyne	P2RY1	61	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852131102	GE	On-Demand	Anodyne	EPHX2	56	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852131102	GE	On-Demand	Anodyne	MCHR1	23	48
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852131102	GE	On-Demand	Anodyne	MCHR2	25	47
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852131102	GE	On-Demand	Anodyne	SHH	42	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852131102	GE	On-Demand	Anodyne	SLC27A1	62	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000852131124	FD	On-Demand	Bother	PDGFRB	16	42
O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131129	FD	On-Demand	Anodyne	NPY2R	79	39
O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131131	FD	On-Demand	Anodyne	NPY2R	79	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cc(Cl)ccc1F	ZINC000852131136	FE	On-Demand	Anodyne	SLC27A1	70	42
Cc1cccc(NC(=O)NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1C	ZINC000852131139	GD	On-Demand	Anodyne	SLC27A1	56	35
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1c(Cl)cccc1Cl	ZINC000852131158	GG	On-Demand	Anodyne	HTR1A	41	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1c(Cl)cccc1Cl	ZINC000852131158	GG	On-Demand	Anodyne	DRD2	36	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1c(Cl)cccc1Cl	ZINC000852131158	GG	On-Demand	Anodyne	DRD4	45	35
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1c(Cl)cccc1Cl	ZINC000852131158	GG	On-Demand	Anodyne	DRD3	50	39
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1c(Cl)cccc1Cl	ZINC000852131158	GG	On-Demand	Anodyne	HTR7	43	39
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1c(Cl)cccc1Cl	ZINC000852131158	GG	On-Demand	Anodyne	SLC27A1	46	32
CC(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131179	FD	On-Demand	Anodyne	DRD4	17	44
CC(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131179	FD	On-Demand	Anodyne	PDGFRB	45	35
CC(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131179	FD	On-Demand	Anodyne	PRNP	60	37
CC(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131179	FD	On-Demand	Anodyne	SLC27A1	67	39
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852131180	FD	On-Demand	Anodyne	GPR119	54	49
CC(C)(C)OC(=O)N1CC[C@H](CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852131181	FD	On-Demand	Anodyne	GPR119	54	49
Cc1sc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c(C)c1C	ZINC000852131183	FE	On-Demand	Anodyne	SLC27A1	69	44
NC(=O)c1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131184	FC	On-Demand	Anodyne	DRD4	21	41
NC(=O)c1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131184	FC	On-Demand	Anodyne	CHRNA7	16	44
NC(=O)c1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131184	FC	On-Demand	Anodyne	IKBKB	54	35
NC(=O)c1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131184	FC	On-Demand	Anodyne	PRNP	47	35
CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccc(NC(=O)OC)cc2)C1	ZINC000852131212	EE	On-Demand	Anodyne	TIMP3	54	32
CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccc(NC(=O)OC)cc2)C1	ZINC000852131212	EE	On-Demand	Anodyne	EPHX2	25	42
COc1ccccc1[C@H](C)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131227	GD	On-Demand	Anodyne	HTR1A	53	37
COc1ccccc1[C@H](C)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131227	GD	On-Demand	Anodyne	DRD2	47	38
COc1ccccc1[C@H](C)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131227	GD	On-Demand	Anodyne	DRD3	52	36
COc1ccccc1[C@H](C)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131227	GD	On-Demand	Anodyne	SLC27A1	50	36
COc1ccccc1N1CC[C@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131231	FD	On-Demand	Anodyne	HTR1A	56	44
COc1ccccc1N1CC[C@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131231	FD	On-Demand	Anodyne	DRD2	37	40
COc1ccccc1N1CC[C@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131231	FD	On-Demand	Anodyne	ADRA1D	48	38
COc1ccccc1N1CC[C@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131231	FD	On-Demand	Anodyne	ADRA1A	44	39
COc1ccccc1N1CC[C@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131231	FD	On-Demand	Anodyne	ADRA1B	40	38
COc1ccccc1N1CC[C@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131231	FD	On-Demand	Anodyne	DRD3	30	40
COc1ccccc1N1CC[C@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131231	FD	On-Demand	Anodyne	DCK	39	40
COc1ccccc1N1CC[C@@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131234	FD	On-Demand	Anodyne	HTR1A	56	44
COc1ccccc1N1CC[C@@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131234	FD	On-Demand	Anodyne	DRD2	37	40
COc1ccccc1N1CC[C@@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131234	FD	On-Demand	Anodyne	ADRA1D	48	38
COc1ccccc1N1CC[C@@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131234	FD	On-Demand	Anodyne	ADRA1A	44	39
COc1ccccc1N1CC[C@@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131234	FD	On-Demand	Anodyne	ADRA1B	40	38
COc1ccccc1N1CC[C@@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131234	FD	On-Demand	Anodyne	DRD3	30	40
COc1ccccc1N1CC[C@@H](N2CCN(c3cc(F)ncn3)CC2)C1=O	ZINC000852131234	FD	On-Demand	Anodyne	DCK	39	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H](c1ccccc1)C1CCCC1	ZINC000852131251	GF	On-Demand	Anodyne	SLC27A1	56	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H](c1ccccc1)C1CCCC1	ZINC000852131253	GF	On-Demand	Anodyne	SLC27A1	56	35
Oc1nc2ccccc2n1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131258	FD	On-Demand	Anodyne	HTR1A	40	40
Oc1nc2ccccc2n1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131258	FD	On-Demand	Anodyne	DRD2	23	54
Oc1nc2ccccc2n1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131258	FD	On-Demand	Anodyne	HTR2A	18	54
Oc1nc2ccccc2n1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131258	FD	On-Demand	Anodyne	DRD3	26	54
Oc1nc2ccccc2n1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131258	FD	On-Demand	Anodyne	HTR7	47	43
Fc1cc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)ncn1	ZINC000852131259	FE	On-Demand	Anodyne	DRD4	28	50
N#Cc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131260	FD	On-Demand	Mild	DRD4	34	41
N#Cc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131260	FD	On-Demand	Mild	SLC27A1	40	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)N(C1CCCC1)C1CC1	ZINC000852131266	ED	On-Demand	Anodyne	SLC27A1	51	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccccc1Cl	ZINC000852131292	GC	On-Demand	Reactive	SLC27A1	58	35
Cn1cc(CCN2CCN(c3cc(F)ncn3)CC2)cn1	ZINC000852131313	CC	On-Demand	Anodyne	ABCC1	67	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)NC1CCCCC1	ZINC000852131316	FC	On-Demand	Anodyne	SLC27A1	55	35
CSc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131318	FE	On-Demand	Anodyne	DRD4	15	44
CSc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131318	FE	On-Demand	Anodyne	PDGFRB	34	44
CSc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131318	FE	On-Demand	Anodyne	AURKA	31	41
CSc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131318	FE	On-Demand	Anodyne	AURKC	40	34
CSc1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131318	FE	On-Demand	Anodyne	SLC27A1	68	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852131329	GC	On-Demand	Reactive	DRD4	23	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852131329	GC	On-Demand	Reactive	DRD3	15	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852131329	GC	On-Demand	Reactive	SLC27A1	69	39
Fc1cc(N2CCN(CCc3nc(-c4ccccc4)no3)CC2)ncn1	ZINC000852131333	FE	On-Demand	Anodyne	DRD4	21	40
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)s1	ZINC000852131337	ED	On-Demand	Anodyne	SLC27A1	49	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccc(F)cc1	ZINC000852131346	GD	On-Demand	Anodyne	DRD2	18	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccc(F)cc1	ZINC000852131346	GD	On-Demand	Anodyne	DRD4	23	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccc(F)cc1	ZINC000852131346	GD	On-Demand	Anodyne	DRD3	24	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCOc1ccc(F)cc1	ZINC000852131346	GD	On-Demand	Anodyne	SLC27A1	64	38
COc1ccc2c(CN3CCN(c4cc(F)ncn4)CC3)cc(=O)oc2c1	ZINC000852131351	FE	On-Demand	Anodyne	CYP19A1	16	52
COc1ccc2c(CN3CCN(c4cc(F)ncn4)CC3)cc(=O)oc2c1	ZINC000852131351	FE	On-Demand	Anodyne	CYP11B1	19	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(F)cc1	ZINC000852131359	ED	On-Demand	Anodyne	DRD4	21	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(F)cc1	ZINC000852131359	ED	On-Demand	Anodyne	HTR7	27	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1ccc(F)cc1	ZINC000852131359	ED	On-Demand	Anodyne	SLC27A1	73	42
Fc1cc(N2CCN(Cc3cc4ccccc4o3)CC2)ncn1	ZINC000852131360	DF	On-Demand	Anodyne	DRD4	20	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852131364	FC	On-Demand	Anodyne	ENPP1	45	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852131364	FC	On-Demand	Anodyne	SLC27A1	53	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852131365	EE	On-Demand	Anodyne	DRD4	27	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852131365	EE	On-Demand	Anodyne	ERBB4	54	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852131365	EE	On-Demand	Anodyne	MCHR1	18	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852131365	EE	On-Demand	Anodyne	IMDH_CRYPV	21	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852131365	EE	On-Demand	Anodyne	SLC27A1	68	40
C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131367	GG	On-Demand	Anodyne	KCNQ2	45	35
O=C1NC2(CCCC2)C(=O)N1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131371	FC	On-Demand	Anodyne	ADRA1D	26	41
Fc1cc(N2CCN(CCc3ccc(F)c(F)c3)CC2)ncn1	ZINC000852131373	DE	On-Demand	Anodyne	DRD2	15	40
Fc1cc(N2CCN(CCc3ccc(F)c(F)c3)CC2)ncn1	ZINC000852131373	DE	On-Demand	Anodyne	SIGMAR1	15	42
Fc1cc(N2CCN(CCc3ccc(F)c(F)c3)CC2)ncn1	ZINC000852131373	DE	On-Demand	Anodyne	ABCC1	138	53
Fc1cc(N2CCN(CCc3ccc(F)c(F)c3)CC2)ncn1	ZINC000852131373	DE	On-Demand	Anodyne	ABCB1A	70	46
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA2	78	57
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA1	75	57
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA7	37	42
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA5B	46	42
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA4	72	44
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA5A	53	42
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA14	27	41
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA12	53	42
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	CA9	55	45
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	MTCA1	47	41
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	P96878_MYCTU	59	41
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131378	GC	On-Demand	Anodyne	SLC27A1	59	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852131379	GF	On-Demand	Anodyne	DRD4	18	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852131379	GF	On-Demand	Anodyne	NPY2R	33	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852131379	GF	On-Demand	Anodyne	IKBKB	54	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852131379	GF	On-Demand	Anodyne	ERBB4	50	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852131379	GF	On-Demand	Anodyne	MCHR1	20	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852131379	GF	On-Demand	Anodyne	SLC27A1	67	39
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131384	FD	On-Demand	Mild	NPY2R	37	40
Fc1cc(N2CCN(Cc3cc(Cl)nc(Cl)c3)CC2)ncn1	ZINC000852131387	EF	On-Demand	Anodyne	DRD4	18	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000852131388	FD	On-Demand	Bother	SLC27A1	67	39
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131390	GE	On-Demand	Anodyne	ABCC1	47	31
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc2ccccc12	ZINC000852131399	FF	On-Demand	Anodyne	DRD4	25	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc2ccccc12	ZINC000852131399	FF	On-Demand	Anodyne	ACOX1	39	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc2ccccc12	ZINC000852131399	FF	On-Demand	Anodyne	SLC27A1	73	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCC1CCCCC1	ZINC000852131405	FE	On-Demand	Anodyne	SIRT3	47	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCC1CCCCC1	ZINC000852131405	FE	On-Demand	Anodyne	SIRT2	42	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCC1CCCCC1	ZINC000852131405	FE	On-Demand	Anodyne	SLC27A1	53	36
CN(CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852131407	DD	On-Demand	Anodyne	HTR7	20	52
CN(CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852131407	DD	On-Demand	Anodyne	ABCC1	43	35
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)c(F)c1	ZINC000852131410	DE	On-Demand	Anodyne	DRD4	21	40
CC(C)(C)CCNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131415	DD	On-Demand	Anodyne	SLC27A1	61	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)cc1Cl	ZINC000852131417	FE	On-Demand	Anodyne	DRD4	18	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)cc1Cl	ZINC000852131417	FE	On-Demand	Anodyne	SLC27A1	73	44
CCOC(=O)CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131420	DD	On-Demand	Anodyne	HTR1A	42	38
CCOC(=O)CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131420	DD	On-Demand	Anodyne	HTR7	54	38
CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131435	FD	On-Demand	Anodyne	PRNP	61	40
CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131437	FD	On-Demand	Anodyne	PRNP	61	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1c(F)cccc1F	ZINC000852131441	FD	On-Demand	Anodyne	SLC27A1	72	41
N#Cc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1F	ZINC000852131443	DD	On-Demand	Mild	ABCC1	66	41
N#Cc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1F	ZINC000852131443	DD	On-Demand	Mild	ABCB1A	32	40
COCCCS(=O)(=O)NCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131452	FB	On-Demand	Anodyne	DRD4	40	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)cc1F	ZINC000852131478	FD	On-Demand	Anodyne	DRD4	18	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)cc1F	ZINC000852131478	FD	On-Demand	Anodyne	SLC27A1	77	48
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1Cl	ZINC000852131507	GF	On-Demand	Anodyne	DRD4	26	47
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1Cl	ZINC000852131507	GF	On-Demand	Anodyne	DRD3	46	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cccc(Cl)c1Cl	ZINC000852131507	GF	On-Demand	Anodyne	SLC27A1	68	39
CCN(C(=O)CN1CCN(c2cc(F)ncn2)CC1)[C@@H](C)c1ccc(F)cc1	ZINC000852131509	GE	On-Demand	Anodyne	SLC27A1	54	37
CCN(C(=O)CN1CCN(c2cc(F)ncn2)CC1)[C@H](C)c1ccc(F)cc1	ZINC000852131512	GE	On-Demand	Anodyne	SLC27A1	54	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cc(F)cc(F)c1	ZINC000852131516	FD	On-Demand	Anodyne	SLC27A1	65	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000852131525	GD	On-Demand	Bother	SLC27A1	55	37
N#Cc1ccsc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131529	ED	On-Demand	Mild	SLC27A1	63	38
CCCOc1cccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131537	GD	On-Demand	Anodyne	DRD4	41	32
CCCOc1cccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131537	GD	On-Demand	Anodyne	HRH2	30	40
CCCOc1cccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131537	GD	On-Demand	Anodyne	SLC27A1	54	33
CCCOc1cccc(CNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131537	GD	On-Demand	Anodyne	PDS	45	34
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	HTR1A	46	46
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	DRD2	44	46
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	DRD4	39	41
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	ADRA1D	15	46
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	HTR2A	28	41
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	ADRA1A	18	46
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	DRD3	41	41
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	HTR7	38	41
Cc1ccccc1CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131560	DF	On-Demand	Anodyne	SIGMAR1	25	43
Fc1cc(N2CCN(Cc3ncc[nH]3)CC2)ncn1	ZINC000852131569	CC	On-Demand	Anodyne	DRD4	16	41
CS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131571	GD	On-Demand	Anodyne	ESR1	21	44
CS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131571	GD	On-Demand	Anodyne	DRD2	15	42
CS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131571	GD	On-Demand	Anodyne	ESR2	15	44
CS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131571	GD	On-Demand	Anodyne	HTR7	21	42
CS(=O)(=O)c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131571	GD	On-Demand	Anodyne	HRH3	27	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCOc1ccccc1F	ZINC000852131572	GD	On-Demand	Anodyne	HTR1A	46	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCOc1ccccc1F	ZINC000852131572	GD	On-Demand	Anodyne	DRD2	52	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCOc1ccccc1F	ZINC000852131572	GD	On-Demand	Anodyne	DRD4	39	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCOc1ccccc1F	ZINC000852131572	GD	On-Demand	Anodyne	DRD3	79	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCCOc1ccccc1F	ZINC000852131572	GD	On-Demand	Anodyne	SLC27A1	55	34
C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131573	ED	On-Demand	Anodyne	SLC27A1	42	36
C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852131575	ED	On-Demand	Anodyne	SLC27A1	42	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)cc1	ZINC000852131580	ED	On-Demand	Anodyne	DRD4	26	52
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)cc1	ZINC000852131580	ED	On-Demand	Anodyne	IKBKB	41	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(F)cc1	ZINC000852131580	ED	On-Demand	Anodyne	SLC27A1	78	45
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	HTR1A	32	54
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	DRD2	31	54
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	DRD1	15	54
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	DRD4	46	54
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	HTR2A	27	54
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	ADRA1B	15	42
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	DRD3	26	54
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	DRD5	15	45
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	HRP1_PLAFA	56	33
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	HTR7	32	48
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	SIGMAR1	31	51
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	ABCC1	94	39
Fc1cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852131586	EG	On-Demand	Anodyne	ABCB1A	47	33
Fc1cc(N2CCN(Cc3csc(CCc4ccccc4)n3)CC2)ncn1	ZINC000852131593	GG	On-Demand	Anodyne	DRD4	19	46
CCOc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131595	EE	On-Demand	Anodyne	HTR1A	66	44
CCOc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131595	EE	On-Demand	Anodyne	DRD2	58	41
CCOc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131595	EE	On-Demand	Anodyne	DRD1	18	41
CCOc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131595	EE	On-Demand	Anodyne	DRD4	50	41
CCOc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131595	EE	On-Demand	Anodyne	HTR2A	27	41
CCOc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131595	EE	On-Demand	Anodyne	HRH1	16	41
CCOc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131595	EE	On-Demand	Anodyne	DRD3	49	41
CCOc1ccccc1OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131595	EE	On-Demand	Anodyne	HTR7	47	41
CC(C)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131596	FE	On-Demand	Anodyne	PDGFRB	47	45
CC(C)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131596	FE	On-Demand	Anodyne	ACOX1	43	35
CC(C)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131596	FE	On-Demand	Anodyne	PRNP	45	32
CC(C)c1ccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131596	FE	On-Demand	Anodyne	SLC27A1	66	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1Cl	ZINC000852131606	GF	On-Demand	Anodyne	DRD4	17	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1Cl	ZINC000852131606	GF	On-Demand	Anodyne	ERBB4	46	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1Cl	ZINC000852131606	GF	On-Demand	Anodyne	SLC27A1	68	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(N2CCCCC2)nc1	ZINC000852131612	GD	On-Demand	Anodyne	DGAT1	41	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(N2CCCCC2)nc1	ZINC000852131612	GD	On-Demand	Anodyne	SLC27A1	78	52
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@@H](c1ccccc1)C1CC1	ZINC000852131636	FE	On-Demand	Anodyne	SLC27A1	51	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)N[C@H](c1ccccc1)C1CC1	ZINC000852131637	FE	On-Demand	Anodyne	SLC27A1	51	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cn1	ZINC000852131649	FD	On-Demand	Anodyne	DRD4	19	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cn1	ZINC000852131649	FD	On-Demand	Anodyne	F10	49	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cn1	ZINC000852131649	FD	On-Demand	Anodyne	ERBB4	47	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cn1	ZINC000852131649	FD	On-Demand	Anodyne	SLC27A1	69	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccnn1C1CCCC1	ZINC000852131664	FD	On-Demand	Anodyne	SLC27A1	68	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nccs1	ZINC000852131680	DC	On-Demand	Anodyne	MAP1	96	50
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nccs1	ZINC000852131680	DC	On-Demand	Anodyne	SLC27A1	68	49
NC(=O)[C@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131683	DC	On-Demand	Anodyne	NPY2R	68	41
NC(=O)[C@@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131684	DC	On-Demand	Anodyne	NPY2R	68	41
Fc1cc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)ncn1	ZINC000852131697	EE	On-Demand	Anodyne	DRD4	17	40
Fc1cc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)ncn1	ZINC000852131697	EE	On-Demand	Anodyne	ABCC1	48	33
C[C@@H](C(=O)Nc1nccs1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131706	ED	On-Demand	Anodyne	MAP1	73	35
C[C@H](C(=O)Nc1nccs1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131707	ED	On-Demand	Anodyne	MAP1	73	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000852131714	GD	On-Demand	Bother	EIF2AK3	71	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)Nc1ccccc1	ZINC000852131731	FD	On-Demand	Anodyne	DRD4	18	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(=O)Nc1ccccc1	ZINC000852131731	FD	On-Demand	Anodyne	SLC27A1	64	38
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc(-c2ccccc2)cs1	ZINC000852131785	GE	On-Demand	Anodyne	MPL	53	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc(-c2ccccc2)cs1	ZINC000852131785	GE	On-Demand	Anodyne	ACOX1	42	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc(-c2ccccc2)cs1	ZINC000852131785	GE	On-Demand	Anodyne	TRPA1	15	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc(-c2ccccc2)cs1	ZINC000852131785	GE	On-Demand	Anodyne	SLC27A1	72	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)NC(C1CC1)C1CC1	ZINC000852131788	ED	On-Demand	Anodyne	SLC27A1	55	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852131797	GC	On-Demand	Reactive	HTR1A	20	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852131797	GC	On-Demand	Reactive	DRD2	15	48
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852131797	GC	On-Demand	Reactive	DRD4	46	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852131797	GC	On-Demand	Reactive	DRD3	28	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852131797	GC	On-Demand	Reactive	SLC27A1	52	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCCc1cccc2cccnc12	ZINC000852131799	GD	On-Demand	Anodyne	SLC27A1	49	36
C[C@H](C(=O)Nc1cccnc1Cl)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131805	FD	On-Demand	Anodyne	G2YM83_BOTF4	44	32
C[C@H](c1nc(O)c2ccccc2n1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131821	FE	On-Demand	Anodyne	SORD	56	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852131835	GD	On-Demand	Anodyne	PDE4B	40	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852131835	GD	On-Demand	Anodyne	SLC27A1	61	38
COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131848	FD	On-Demand	Anodyne	DRD4	43	34
COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131848	FD	On-Demand	Anodyne	ACOX1	42	36
COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131848	FD	On-Demand	Anodyne	FLT4	28	47
COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131848	FD	On-Demand	Anodyne	HIF1A	15	45
COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131848	FD	On-Demand	Anodyne	LIMK2	41	34
COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131848	FD	On-Demand	Anodyne	SLC27A1	64	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Br)cn1	ZINC000852131849	GD	On-Demand	Anodyne	SLC27A1	69	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cnn(-c2ccccc2)c1	ZINC000852131885	GD	On-Demand	Anodyne	DRD4	17	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCc1cnn(-c2ccccc2)c1	ZINC000852131885	GD	On-Demand	Anodyne	SLC27A1	54	36
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852131891	FD	On-Demand	Reactive	CHRM4	15	49
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852131891	FD	On-Demand	Reactive	SIGMAR1	23	41
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852131891	FD	On-Demand	Reactive	CCR3	51	39
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852131892	FD	On-Demand	Reactive	CHRM4	15	49
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852131892	FD	On-Demand	Reactive	SIGMAR1	23	41
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852131892	FD	On-Demand	Reactive	CCR3	51	39
C=C[C@H](CO)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852131904	CC	On-Demand	Reactive	KLK3	59	35
C=C[C@H](CO)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852131904	CC	On-Demand	Reactive	CAPN1	42	38
C=C[C@H](CO)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852131904	CC	On-Demand	Reactive	CAPN2	49	36
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)c(F)c1	ZINC000852131922	ED	On-Demand	Anodyne	BDKRB1	27	40
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)c(F)c1	ZINC000852131922	ED	On-Demand	Anodyne	SLC9A1	45	32
FCc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852131936	DE	On-Demand	Anodyne	DRD4	23	41
Fc1cc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)ncn1	ZINC000852131940	ED	On-Demand	Anodyne	MCHR1	21	42
N#CC[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131951	ED	On-Demand	Reactive	CTSK	15	43
N#CC[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131951	ED	On-Demand	Reactive	DPP4	15	40
N#CC[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131951	ED	On-Demand	Reactive	PREP	59	43
N#CC[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131951	ED	On-Demand	Reactive	LGMN	60	40
N#CC[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131951	ED	On-Demand	Reactive	CTSS	28	42
N#CC[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131952	ED	On-Demand	Reactive	CTSK	15	43
N#CC[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131952	ED	On-Demand	Reactive	DPP4	15	40
N#CC[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131952	ED	On-Demand	Reactive	PREP	59	43
N#CC[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131952	ED	On-Demand	Reactive	LGMN	60	40
N#CC[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852131952	ED	On-Demand	Reactive	CTSS	28	42
COC(=O)[C@@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131960	ED	On-Demand	Anodyne	NPY2R	85	51
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)COCc1ccccc1	ZINC000852131962	GD	On-Demand	Reactive	SLC12A5	58	36
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)COCc1ccccc1	ZINC000852131965	GD	On-Demand	Reactive	SLC12A5	58	36
CCOc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131966	FE	On-Demand	Anodyne	HTR1A	67	41
CCOc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131966	FE	On-Demand	Anodyne	DRD2	53	40
CCOc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131966	FE	On-Demand	Anodyne	DRD4	56	40
CCOc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131966	FE	On-Demand	Anodyne	ADRA1D	38	47
CCOc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131966	FE	On-Demand	Anodyne	DRD3	63	38
CCOc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131966	FE	On-Demand	Anodyne	HTR7	60	41
CCOc1ccccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131966	FE	On-Demand	Anodyne	SLC27A1	55	33
O=C(COCc1ccccc1)NNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852131979	GB	On-Demand	Reactive	CTRA_BOVIN	50	31
O=C(COCc1ccccc1)NNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852131979	GB	On-Demand	Reactive	CTSG	40	31
O=C(COCc1ccccc1)NNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852131979	GB	On-Demand	Reactive	CELA2A	40	31
O=C(Cc1ccccc1)OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131985	ED	On-Demand	Anodyne	HTR1A	40	40
O=C(Cc1ccccc1)OCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852131985	ED	On-Demand	Anodyne	SIGMAR1	25	45
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852131989	FD	On-Demand	Mild	NPY2R	50	43
N#Cc1cccc(C(=O)NNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131990	GC	On-Demand	Reactive	DRD4	42	33
N#Cc1cccc(C(=O)NNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852131990	GC	On-Demand	Reactive	SLC27A1	45	33
Fc1cc(N2CCN(Cc3cccs3)CC2)ncn1	ZINC000852132000	CD	On-Demand	Anodyne	DRD4	15	55
Fc1cc(N2CCN(CCc3cccnc3)CC2)ncn1	ZINC000852132007	CD	On-Demand	Anodyne	DRD2	18	44
Fc1cc(N2CCN(CCc3cccnc3)CC2)ncn1	ZINC000852132007	CD	On-Demand	Anodyne	DRD4	28	42
Fc1cc(N2CCN(CCc3cccnc3)CC2)ncn1	ZINC000852132007	CD	On-Demand	Anodyne	SIGMAR1	15	52
Fc1cc(N2CCN(CCc3cccnc3)CC2)ncn1	ZINC000852132007	CD	On-Demand	Anodyne	ABCC1	91	44
Fc1cc(N2CCN(CCc3cccnc3)CC2)ncn1	ZINC000852132007	CD	On-Demand	Anodyne	ABCB1A	50	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cc(F)cc(F)c1	ZINC000852132011	FE	On-Demand	Anodyne	DRD4	17	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cc(F)cc(F)c1	ZINC000852132011	FE	On-Demand	Anodyne	SLC27A1	42	34
C=CC[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132015	EE	On-Demand	Reactive	GRIN2B	27	40
C=CC[C@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132015	EE	On-Demand	Reactive	PREP	56	42
C=CC[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132016	EE	On-Demand	Reactive	GRIN2B	27	40
C=CC[C@@H]1CCCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132016	EE	On-Demand	Reactive	PREP	56	42
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132042	GE	On-Demand	Anodyne	BCL2L1	41	33
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132042	GE	On-Demand	Anodyne	SLC27A1	27	46
C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132043	GE	On-Demand	Anodyne	BCL2L1	41	33
C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132043	GE	On-Demand	Anodyne	SLC27A1	27	46
O=C(COCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852132050	EC	On-Demand	Reactive	GRIN2B	20	40
O=C(COCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852132050	EC	On-Demand	Reactive	P2RY14	43	33
O=C(COCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852132054	EE	On-Demand	Reactive	GRIN2B	49	45
O=C(COCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852132054	EE	On-Demand	Reactive	SIGMAR1	24	41
O=C(COCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852132054	EE	On-Demand	Reactive	PREP	51	43
O=C(COCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852132054	EE	On-Demand	Reactive	SLC12A5	63	36
COC(=O)Cn1cc(CCN2CCN(c3cc(F)ncn3)CC2)nn1	ZINC000852132058	EB	On-Demand	Anodyne	ABCC1	44	34
O=C(COCc1ccccc1)NNC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852132062	GC	On-Demand	Reactive	SIGMAR1	21	43
O=C(COCc1ccccc1)NNC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852132062	GC	On-Demand	Reactive	EPHX2	15	41
O=C(COCc1ccccc1)NNC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852132063	GC	On-Demand	Reactive	SIGMAR1	21	43
O=C(COCc1ccccc1)NNC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852132063	GC	On-Demand	Reactive	EPHX2	15	41
O=C(COCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852132083	DD	On-Demand	Reactive	SIGMAR1	16	40
O=C(COCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852132083	DD	On-Demand	Reactive	EPHX2	21	47
Cc1c(F)cccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132084	FE	On-Demand	Anodyne	HTR1A	27	41
Cc1c(F)cccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132084	FE	On-Demand	Anodyne	DRD2	18	41
Cc1c(F)cccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132084	FE	On-Demand	Anodyne	DRD4	42	34
Cc1c(F)cccc1NC(=O)CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132084	FE	On-Demand	Anodyne	SLC27A1	40	32
CC[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C1CC1	ZINC000852132090	DD	On-Demand	Reactive	CTSB	42	35
CC[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C1CC1	ZINC000852132090	DD	On-Demand	Reactive	PAPA1_CARPA	53	33
CC[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C1CC1	ZINC000852132090	DD	On-Demand	Reactive	CAPN1	44	39
CC[C@@H](NC(=O)NNC(=O)COCc1ccccc1)C1CC1	ZINC000852132090	DD	On-Demand	Reactive	CAPN2	62	36
COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132093	FE	On-Demand	Anodyne	NPY2R	58	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)NOCc1ccccc1	ZINC000852132094	EC	On-Demand	Anodyne	SLC27A1	67	39
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132097	ED	On-Demand	Reactive	DRD4	20	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132097	ED	On-Demand	Reactive	SIGMAR1	22	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132097	ED	On-Demand	Reactive	GHSR	25	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132097	ED	On-Demand	Reactive	SLC6A5	32	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132097	ED	On-Demand	Reactive	BIRC2	22	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132098	ED	On-Demand	Reactive	DRD4	20	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132098	ED	On-Demand	Reactive	SIGMAR1	22	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132098	ED	On-Demand	Reactive	GHSR	25	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132098	ED	On-Demand	Reactive	SLC6A5	32	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132098	ED	On-Demand	Reactive	BIRC2	22	40
COC(=O)C1(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)CCCCC1	ZINC000852132101	GC	On-Demand	Anodyne	SLC27A1	54	34
COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132112	ED	On-Demand	Anodyne	NPY2R	59	42
Fc1cc(N2CCN(CCOc3ccccc3Br)CC2)ncn1	ZINC000852132115	GF	On-Demand	Anodyne	HTR1A	35	41
Fc1cc(N2CCN(CCOc3ccccc3Br)CC2)ncn1	ZINC000852132115	GF	On-Demand	Anodyne	DRD2	36	41
Fc1cc(N2CCN(CCOc3ccccc3Br)CC2)ncn1	ZINC000852132115	GF	On-Demand	Anodyne	DRD4	35	41
Fc1cc(N2CCN(CCOc3ccccc3Br)CC2)ncn1	ZINC000852132115	GF	On-Demand	Anodyne	HTR2A	16	41
Fc1cc(N2CCN(CCOc3ccccc3Br)CC2)ncn1	ZINC000852132115	GF	On-Demand	Anodyne	DRD3	31	41
Fc1cc(N2CCN(CCOc3ccccc3Br)CC2)ncn1	ZINC000852132115	GF	On-Demand	Anodyne	HTR7	15	41
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852132116	FE	On-Demand	Reactive	EPHX2	29	40
Oc1nc(CCN2CCN(c3cc(F)ncn3)CC2)nc2ccccc12	ZINC000852132117	FD	On-Demand	Anodyne	HTR1A	26	56
Oc1nc(CCN2CCN(c3cc(F)ncn3)CC2)nc2ccccc12	ZINC000852132117	FD	On-Demand	Anodyne	HTR7	33	56
Oc1nc(CCN2CCN(c3cc(F)ncn3)CC2)nc2ccccc12	ZINC000852132117	FD	On-Demand	Anodyne	SORD	26	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132130	GE	On-Demand	Reactive	OPRM1	19	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132130	GE	On-Demand	Reactive	OPRD1	17	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132130	GE	On-Demand	Reactive	GRIN2B	41	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132130	GE	On-Demand	Reactive	SIGMAR1	23	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132130	GE	On-Demand	Reactive	CCR8	21	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132131	GE	On-Demand	Reactive	OPRM1	19	42
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132131	GE	On-Demand	Reactive	OPRD1	17	42
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132131	GE	On-Demand	Reactive	GRIN2B	41	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132131	GE	On-Demand	Reactive	SIGMAR1	23	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132131	GE	On-Demand	Reactive	CCR8	21	40
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852132140	GD	On-Demand	Reactive	DRD2	22	46
O=C(COCc1ccccc1)NNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852132140	GD	On-Demand	Reactive	SIGMAR1	33	45
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852132141	GD	On-Demand	Reactive	DRD2	22	46
O=C(COCc1ccccc1)NNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852132141	GD	On-Demand	Reactive	SIGMAR1	33	45
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	DRD4	25	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	SIGMAR1	27	49
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	MMP13	28	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	MMP3	35	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	MMP9	28	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	EPHX2	15	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	MMP7	22	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	MMP1	33	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)COCc3ccccc3)C2)cc1	ZINC000852132143	GD	On-Demand	Reactive	MCHR1	21	41
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852132145	GD	On-Demand	Anodyne	HTR1A	23	65
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852132145	GD	On-Demand	Anodyne	DRD2	23	43
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852132145	GD	On-Demand	Anodyne	DRD4	21	43
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852132145	GD	On-Demand	Anodyne	HTR2A	26	43
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852132145	GD	On-Demand	Anodyne	DRD3	19	43
O=S(=O)(CCCN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852132145	GD	On-Demand	Anodyne	HTR7	36	43
CS(=O)(=O)C1(CNC(=O)NNC(=O)COCc2ccccc2)CCCCC1	ZINC000852132147	GD	On-Demand	Reactive	HCN1	42	31
Fc1cc(N2CCN(CCCSCc3ccccc3)CC2)ncn1	ZINC000852132151	EG	On-Demand	Anodyne	HTR1A	47	44
Fc1cc(N2CCN(CCCSCc3ccccc3)CC2)ncn1	ZINC000852132151	EG	On-Demand	Anodyne	DRD2	37	44
Fc1cc(N2CCN(CCCSCc3ccccc3)CC2)ncn1	ZINC000852132151	EG	On-Demand	Anodyne	DRD4	36	44
Fc1cc(N2CCN(CCCSCc3ccccc3)CC2)ncn1	ZINC000852132151	EG	On-Demand	Anodyne	HTR2A	20	44
Fc1cc(N2CCN(CCCSCc3ccccc3)CC2)ncn1	ZINC000852132151	EG	On-Demand	Anodyne	DRD3	38	44
Fc1cc(N2CCN(CCCSCc3ccccc3)CC2)ncn1	ZINC000852132151	EG	On-Demand	Anodyne	HTR7	35	44
Fc1cc(N2CCN(CCCSCc3ccccc3)CC2)ncn1	ZINC000852132151	EG	On-Demand	Anodyne	SIGMAR1	22	44
Fc1cc(N2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)ncn1	ZINC000852132155	FF	On-Demand	Anodyne	DRD2	15	46
Fc1cc(N2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)ncn1	ZINC000852132155	FF	On-Demand	Anodyne	SIGMAR1	15	49
Fc1cc(N2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)ncn1	ZINC000852132155	FF	On-Demand	Anodyne	ABCC1	87	38
Fc1cc(N2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)ncn1	ZINC000852132155	FF	On-Demand	Anodyne	ABCB1A	48	34
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852132156	EE	On-Demand	Reactive	ACE	53	38
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852132156	EE	On-Demand	Reactive	SIGMAR1	21	40
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852132156	EE	On-Demand	Reactive	PREP	73	46
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852132156	EE	On-Demand	Reactive	BIRC2	22	42
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852132156	EE	On-Demand	Reactive	SLC12A5	58	35
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852132157	EE	On-Demand	Reactive	ACE	53	38
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852132157	EE	On-Demand	Reactive	SIGMAR1	21	40
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852132157	EE	On-Demand	Reactive	PREP	73	46
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852132157	EE	On-Demand	Reactive	BIRC2	22	42
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852132157	EE	On-Demand	Reactive	SLC12A5	58	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)NCC(=O)c1cccs1	ZINC000852132184	FC	On-Demand	Anodyne	SLC27A1	63	35
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132189	GF	On-Demand	Anodyne	SLC27A1	41	36
C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132190	GF	On-Demand	Anodyne	SLC27A1	41	36
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132191	EB	On-Demand	Reactive	SLC27A1	61	34
Cc1ccncc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132201	CD	On-Demand	Anodyne	DRD4	18	42
Cc1ccccc1CC(=O)NNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132204	GC	On-Demand	Reactive	SLC27A1	66	37
O=C(Nc1ccccc1)c1nnc(CN2CCN(c3cc(F)ncn3)CC2)s1	ZINC000852132214	GE	On-Demand	Anodyne	PRNP	44	34
O=c1c2ccccc2ncn1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132215	FD	On-Demand	Anodyne	HTR1A	36	57
O=c1c2ccccc2ncn1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132215	FD	On-Demand	Anodyne	HTR1B	21	41
O=c1c2ccccc2ncn1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132215	FD	On-Demand	Anodyne	HTR7	34	57
Fc1cc(N2CCN(CCCCC(F)(F)F)CC2)ncn1	ZINC000852132220	DE	On-Demand	Anodyne	HTR1A	18	40
Fc1cc(N2CCN(CCCCC(F)(F)F)CC2)ncn1	ZINC000852132220	DE	On-Demand	Anodyne	DRD2	16	40
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852132226	GE	On-Demand	Reactive	PREP	45	43
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852132226	GE	On-Demand	Reactive	SLC12A5	56	35
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852132227	GE	On-Demand	Reactive	PREP	45	43
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852132227	GE	On-Demand	Reactive	SLC12A5	56	35
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852132228	GE	On-Demand	Reactive	PREP	45	43
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852132228	GE	On-Demand	Reactive	SLC12A5	56	35
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852132229	GE	On-Demand	Reactive	PREP	45	43
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852132229	GE	On-Demand	Reactive	SLC12A5	56	35
Fc1cc(N2CCN(C/C(Cl)=C\Cl)CC2)ncn1	ZINC000852132234	CE	On-Demand	Anodyne	SLC27A1	43	33
Fc1cc(N2CCN(C/C(Cl)=C/Cl)CC2)ncn1	ZINC000852132235	CE	On-Demand	Anodyne	SLC27A1	43	33
COC(=O)[C@@H](c1cccnc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132237	ED	On-Demand	Anodyne	NPY2R	64	49
O=C(COCc1ccccc1)NNC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852132238	FD	On-Demand	Reactive	SLC12A5	52	34
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132247	FC	On-Demand	Reactive	DRD4	45	39
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132247	FC	On-Demand	Reactive	DRD3	15	45
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132247	FC	On-Demand	Reactive	SLC27A1	59	34
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132247	FC	On-Demand	Reactive	KCNK3	51	36
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132247	FC	On-Demand	Reactive	KCNK9	41	36
O=C(COCc1ccccc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852132254	GE	On-Demand	Reactive	GRIN2B	25	42
O=C(COCc1ccccc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852132254	GE	On-Demand	Reactive	PREP	33	40
O=C(COCc1ccccc1)NNC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852132254	GE	On-Demand	Reactive	SLC12A5	46	36
O=C(COCc1ccccc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852132255	GE	On-Demand	Reactive	GRIN2B	25	42
O=C(COCc1ccccc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852132255	GE	On-Demand	Reactive	PREP	33	40
O=C(COCc1ccccc1)NNC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852132255	GE	On-Demand	Reactive	SLC12A5	46	36
CC[C@@H](C)CCNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132264	DD	On-Demand	Reactive	PAPA1_CARPA	58	34
CC[C@@H](C)CCNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132264	DD	On-Demand	Reactive	CTSK	23	40
CC[C@@H](C)CCNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132264	DD	On-Demand	Reactive	CAPN1	58	37
CC[C@@H](C)CCNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132264	DD	On-Demand	Reactive	CAPN2	92	37
CC[C@@H](C)CCNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132264	DD	On-Demand	Reactive	NPR	60	38
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132277	FD	On-Demand	Mild	NPY2R	56	41
Fc1cc(N2CCN(Cc3ccc(Oc4ccccc4)nn3)CC2)ncn1	ZINC000852132287	FF	On-Demand	Anodyne	DCK	26	41
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc(C2CC2)no1	ZINC000852132289	EC	On-Demand	Anodyne	SLC27A1	50	42
O=C(CN1CCN(c2cc(F)ncn2)CC1)NNC(=O)C1CC1	ZINC000852132301	DB	On-Demand	Reactive	SLC27A1	59	35
Fc1cc(N2CCN(Cc3ncn(-c4ccccc4)n3)CC2)ncn1	ZINC000852132303	ED	On-Demand	Anodyne	DRD4	31	42
CON(C)C(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132304	CB	On-Demand	Anodyne	SLC27A1	50	38
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)COCc3ccccc3)C2)c1	ZINC000852132312	GF	On-Demand	Reactive	OPRK1	15	43
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)COCc3ccccc3)C2)c1	ZINC000852132312	GF	On-Demand	Reactive	TACR1	20	46
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)COCc3ccccc3)C2)c1	ZINC000852132312	GF	On-Demand	Reactive	SLC12A5	61	38
Fc1cc(N2CCN(CCCn3ccnc3)CC2)ncn1	ZINC000852132317	CD	On-Demand	Anodyne	HMOX2	46	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132328	FF	On-Demand	Reactive	PAPA1_CARPA	41	36
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132328	FF	On-Demand	Reactive	CAPN2	46	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132329	FF	On-Demand	Reactive	PAPA1_CARPA	41	36
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132329	FF	On-Demand	Reactive	CAPN2	46	33
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852132335	FD	On-Demand	Reactive	SIGMAR1	26	48
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852132335	FD	On-Demand	Reactive	CTSL	18	46
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852132335	FD	On-Demand	Reactive	SLC6A5	20	48
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852132335	FD	On-Demand	Reactive	EPHX2	20	41
O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852132335	FD	On-Demand	Reactive	BIRC2	22	43
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852132336	FD	On-Demand	Reactive	SIGMAR1	26	48
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852132336	FD	On-Demand	Reactive	CTSL	18	46
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852132336	FD	On-Demand	Reactive	SLC6A5	20	48
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852132336	FD	On-Demand	Reactive	EPHX2	20	41
O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852132336	FD	On-Demand	Reactive	BIRC2	22	43
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccn1	ZINC000852132340	DD	On-Demand	Anodyne	DRD4	24	42
CC(C)(C)OC(=O)C1(CNC(=O)NNC(=O)COCc2ccccc2)CCC1	ZINC000852132348	GE	On-Demand	Reactive	SLC12A5	57	36
CC(C)(C)NC(=O)CNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132358	FB	On-Demand	Anodyne	SLC27A1	60	33
Fc1cc(N2CCN(CCN3CCCc4ccccc43)CC2)ncn1	ZINC000852132359	EE	On-Demand	Anodyne	DRD2	23	45
Fc1cc(N2CCN(CCN3CCCc4ccccc43)CC2)ncn1	ZINC000852132359	EE	On-Demand	Anodyne	DRD3	19	45
O=C(COCc1ccccc1)NNC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852132361	FD	On-Demand	Reactive	SLC12A5	45	38
O=C(COCc1ccccc1)NNC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852132362	FD	On-Demand	Reactive	SLC12A5	45	38
O=C(COCc1ccccc1)NNC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852132363	FD	On-Demand	Reactive	SLC12A5	45	38
Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132366	GD	On-Demand	Anodyne	SLC27A1	48	35
C[C@@]1(C#N)CCN(C(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132368	DD	On-Demand	Reactive	SLC12A5	71	39
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852132371	FE	On-Demand	Anodyne	EGFR	26	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852132371	FE	On-Demand	Anodyne	HTR1A	22	51
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852132371	FE	On-Demand	Anodyne	DRD2	17	51
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852132371	FE	On-Demand	Anodyne	DRD4	38	51
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852132371	FE	On-Demand	Anodyne	CHRNA7	18	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852132371	FE	On-Demand	Anodyne	ABCC1	40	33
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852132371	FE	On-Demand	Anodyne	ERBB4	52	38
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)cc1	ZINC000852132371	FE	On-Demand	Anodyne	MCHR1	27	45
NS(=O)(=O)c1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132393	FC	On-Demand	Anodyne	CA2	37	40
NS(=O)(=O)c1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132393	FC	On-Demand	Anodyne	CA1	38	40
NS(=O)(=O)c1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132393	FC	On-Demand	Anodyne	CA7	26	40
NS(=O)(=O)c1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132393	FC	On-Demand	Anodyne	ABCC1	92	36
NS(=O)(=O)c1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132393	FC	On-Demand	Anodyne	ABCB1A	48	35
O=C(COCc1ccccc1)NNC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852132416	FF	On-Demand	Reactive	EPHX2	17	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2ccc(F)cc2s1	ZINC000852132424	GE	On-Demand	Anodyne	CSNK1D	48	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2ccc(F)cc2s1	ZINC000852132424	GE	On-Demand	Anodyne	ACOX1	45	35
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2ccc(F)cc2s1	ZINC000852132424	GE	On-Demand	Anodyne	PIK3CA	19	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2ccc(F)cc2s1	ZINC000852132424	GE	On-Demand	Anodyne	SLC27A1	81	60
O[C@@H](Cc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132425	DD	On-Demand	Anodyne	ABCB1	62	39
O[C@H](Cc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132426	DD	On-Demand	Anodyne	ABCB1	62	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	ACE	34	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	MME	78	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	KLK3	46	32
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CTSB	63	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	PAPA1_CARPA	86	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CYSP_TRYCR	50	37
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CTSK	41	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CTSL	40	38
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CTRB1	41	36
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CAPNS1	63	37
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	MMP3	17	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	MMP8	15	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CTSS	20	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CAPN1	94	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CAPN2	117	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	ACE2	64	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	MMP1	16	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	FPR1	66	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	CTRB_BOVIN	54	33
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132431	DE	On-Demand	Reactive	NPR	73	33
Fc1cc(N2CCN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC2)ncn1	ZINC000852132435	GF	On-Demand	Anodyne	LUCI_PHOPY	78	47
Fc1cc(N2CCN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC2)ncn1	ZINC000852132436	GF	On-Demand	Anodyne	LUCI_PHOPY	78	47
O=C(COCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852132437	FD	On-Demand	Reactive	DRD4	17	42
O=C(COCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852132437	FD	On-Demand	Reactive	HRH1	18	41
O=C(COCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852132437	FD	On-Demand	Reactive	HTR4	42	38
O=C(COCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852132437	FD	On-Demand	Reactive	GRIN2B	55	41
O=C(COCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852132437	FD	On-Demand	Reactive	SIGMAR1	47	47
O=C(COCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852132437	FD	On-Demand	Reactive	CCR3	42	39
O=C(COCc1ccccc1)NNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852132437	FD	On-Demand	Reactive	CACNA1I	60	39
Fc1cc(N2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)ncn1	ZINC000852132438	FE	On-Demand	Anodyne	DRD2	17	46
Fc1cc(N2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)ncn1	ZINC000852132438	FE	On-Demand	Anodyne	DRD4	37	46
Fc1cc(N2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)ncn1	ZINC000852132438	FE	On-Demand	Anodyne	SIGMAR1	24	41
CNC(=O)CC1(CNC(=O)NNC(=O)COCc2ccccc2)CCCCC1	ZINC000852132446	GD	On-Demand	Reactive	SLC12A5	55	35
CNC(=O)CC1(CNC(=O)NNC(=O)COCc2ccccc2)CCCCC1	ZINC000852132446	GD	On-Demand	Reactive	HCN1	42	31
CO[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132451	CC	On-Demand	Reactive	CTSB	41	37
CO[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132451	CC	On-Demand	Reactive	PAPA1_CARPA	55	35
CO[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132451	CC	On-Demand	Reactive	CTSK	20	40
CO[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132451	CC	On-Demand	Reactive	CAPNS1	54	33
CO[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132451	CC	On-Demand	Reactive	CAPN1	66	37
CO[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132451	CC	On-Demand	Reactive	CAPN2	92	37
CO[C@@H](C)CNC(=O)NNC(=O)COCc1ccccc1	ZINC000852132451	CC	On-Demand	Reactive	NPR	69	34
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852132457	FF	On-Demand	Reactive	SIGMAR1	21	46
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852132458	FF	On-Demand	Reactive	SIGMAR1	21	46
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2ccccc2s1	ZINC000852132459	FD	On-Demand	Anodyne	CSNK1D	45	47
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2ccccc2s1	ZINC000852132459	FD	On-Demand	Anodyne	ACOX1	55	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2ccccc2s1	ZINC000852132459	FD	On-Demand	Anodyne	BCL2L1	52	34
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2ccccc2s1	ZINC000852132459	FD	On-Demand	Anodyne	SLC27A1	79	69
O=C(COCc1ccccc1)NNC(=O)N1CCC(c2ccco2)CC1	ZINC000852132460	FE	On-Demand	Reactive	GRIN2B	25	41
O=C(COCc1ccccc1)NNC(=O)NC1CCC(C2CCC2)CC1	ZINC000852132461	FF	On-Demand	Reactive	GRIN2B	15	40
O=C(COCc1ccccc1)NNC(=O)NC1CCC(C2CCC2)CC1	ZINC000852132461	FF	On-Demand	Reactive	EPHX2	29	44
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2c(s1)CCC2	ZINC000852132463	FD	On-Demand	Anodyne	SLC27A1	95	69
N#Cc1ccc(C(=O)NNC(=O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132472	GC	On-Demand	Reactive	SLC27A1	49	33
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132473	FE	On-Demand	Reactive	PLM1_PLAFA	40	41
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)COCc1ccccc1	ZINC000852132473	FE	On-Demand	Reactive	PLM2_PLAFA	45	41
COC(=O)[C@@H](c1ccccc1F)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132478	ED	On-Demand	Anodyne	NPY2R	60	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852132479	DD	On-Demand	Reactive	GRIN2B	44	44
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852132479	DD	On-Demand	Reactive	SIGMAR1	22	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852132479	DD	On-Demand	Reactive	PREP	45	39
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852132479	DD	On-Demand	Reactive	EPHX2	25	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852132479	DD	On-Demand	Reactive	TGM2	32	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852132479	DD	On-Demand	Reactive	RBP4	62	35
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852132479	DD	On-Demand	Reactive	F13A1	43	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852132480	DD	On-Demand	Reactive	GRIN2B	44	44
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852132480	DD	On-Demand	Reactive	SIGMAR1	22	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852132480	DD	On-Demand	Reactive	PREP	45	39
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852132480	DD	On-Demand	Reactive	EPHX2	25	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852132480	DD	On-Demand	Reactive	TGM2	32	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852132480	DD	On-Demand	Reactive	RBP4	62	35
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852132480	DD	On-Demand	Reactive	F13A1	43	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852132481	DD	On-Demand	Reactive	GRIN2B	44	44
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852132481	DD	On-Demand	Reactive	SIGMAR1	22	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852132481	DD	On-Demand	Reactive	PREP	45	39
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852132481	DD	On-Demand	Reactive	EPHX2	25	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852132481	DD	On-Demand	Reactive	TGM2	32	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852132481	DD	On-Demand	Reactive	RBP4	62	35
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852132481	DD	On-Demand	Reactive	F13A1	43	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852132482	DD	On-Demand	Reactive	GRIN2B	44	44
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852132482	DD	On-Demand	Reactive	SIGMAR1	22	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852132482	DD	On-Demand	Reactive	PREP	45	39
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852132482	DD	On-Demand	Reactive	EPHX2	25	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852132482	DD	On-Demand	Reactive	TGM2	32	40
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852132482	DD	On-Demand	Reactive	RBP4	62	35
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852132482	DD	On-Demand	Reactive	F13A1	43	40
O=C(CN1CCN(c2cc(F)ncn2)CC1)N1CCN(Cc2ccco2)CC1	ZINC000852132485	GC	On-Demand	Anodyne	SLC27A1	45	36
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc2c(s1)CCCC2	ZINC000852132493	GD	On-Demand	Anodyne	SLC27A1	98	71
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132494	DD	On-Demand	Reactive	TIMP3	68	37
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)COCc2ccccc2)C1	ZINC000852132494	DD	On-Demand	Reactive	EPHX2	15	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nnc(-c2ccco2)o1	ZINC000852132503	FD	On-Demand	Anodyne	SLC27A1	53	41
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852132518	EE	On-Demand	Reactive	SIGMAR1	22	40
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852132518	EE	On-Demand	Reactive	PREP	64	44
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852132519	EE	On-Demand	Reactive	SIGMAR1	22	40
O=C(COCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852132519	EE	On-Demand	Reactive	PREP	64	44
CCOC(=O)[C@@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132524	EE	On-Demand	Anodyne	NPY2R	85	45
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc(-c2ccco2)cs1	ZINC000852132538	GE	On-Demand	Anodyne	ADORA2A	16	49
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc(-c2ccco2)cs1	ZINC000852132538	GE	On-Demand	Anodyne	MPL	46	39
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1nc(-c2ccco2)cs1	ZINC000852132538	GE	On-Demand	Anodyne	SLC27A1	67	43
CC(C)c1nnc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)s1	ZINC000852132544	FD	On-Demand	Anodyne	SLC27A1	65	43
O=C(COCc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852132554	GD	On-Demand	Reactive	SCN2A	18	43
O=C(COCc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852132554	GD	On-Demand	Reactive	SCN10A	20	46
Fc1cc(N2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)ncn1	ZINC000852132556	FE	On-Demand	Anodyne	DRD2	17	46
Fc1cc(N2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)ncn1	ZINC000852132556	FE	On-Demand	Anodyne	DRD4	40	46
Fc1cc(N2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)ncn1	ZINC000852132556	FE	On-Demand	Anodyne	DRD3	15	46
Cc1nc(CCN2CCN(c3cc(F)ncn3)CC2)cs1	ZINC000852132557	DD	On-Demand	Anodyne	ABCC1	48	33
Fc1cc(N2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)ncn1	ZINC000852132558	ED	On-Demand	Anodyne	CYP11B1	17	40
O=C(NCCCN1CCN(c2cc(F)ncn2)CC1)C(F)(F)F	ZINC000852132561	EC	On-Demand	Anodyne	HTR1A	39	40
O=C(NCCCN1CCN(c2cc(F)ncn2)CC1)C(F)(F)F	ZINC000852132561	EC	On-Demand	Anodyne	DRD2	46	42
O=C(NCCCN1CCN(c2cc(F)ncn2)CC1)C(F)(F)F	ZINC000852132561	EC	On-Demand	Anodyne	DRD3	76	42
CN(Cc1cnc[nH]1)C(=O)NNC(=O)COCc1ccccc1	ZINC000852132569	DC	On-Demand	Reactive	CYP3A4	16	46
CN(Cc1cnc[nH]1)C(=O)NNC(=O)COCc1ccccc1	ZINC000852132569	DC	On-Demand	Reactive	TAAR1	23	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852132570	EC	On-Demand	Reactive	GRIN2B	41	42
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852132570	EC	On-Demand	Reactive	TGM2	23	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852132570	EC	On-Demand	Reactive	F13A1	30	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852132571	EC	On-Demand	Reactive	GRIN2B	41	42
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852132571	EC	On-Demand	Reactive	TGM2	23	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852132571	EC	On-Demand	Reactive	F13A1	30	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852132572	EC	On-Demand	Reactive	GRIN2B	41	42
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852132572	EC	On-Demand	Reactive	TGM2	23	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852132572	EC	On-Demand	Reactive	F13A1	30	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852132573	EC	On-Demand	Reactive	GRIN2B	41	42
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852132573	EC	On-Demand	Reactive	TGM2	23	41
O=C(COCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852132573	EC	On-Demand	Reactive	F13A1	30	41
Fc1cc(N2CCN(Cc3cccc(-n4cccn4)c3)CC2)ncn1	ZINC000852132575	EE	On-Demand	Anodyne	DRD4	36	50
O=C(COCc1ccccc1)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852132585	FD	On-Demand	Reactive	GRIN2B	30	42
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	HTR1A	38	47
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	DRD2	38	50
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	DRD4	48	38
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	HTR2A	21	47
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	DRD3	33	41
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	LTA4H	34	46
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	HTR7	21	43
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	DCK	18	41
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	HRH3	20	51
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	SIGMAR1	16	44
COc1cccc(OCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132586	ED	On-Demand	Anodyne	CHRNA10	22	40
Cc1sc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)c(C#N)c1C	ZINC000852132587	FD	On-Demand	Mild	SLC27A1	53	40
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852132596	GB	On-Demand	Reactive	MMP13	21	45
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852132596	GB	On-Demand	Reactive	MMP3	18	45
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852132596	GB	On-Demand	Reactive	MMP9	17	45
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852132596	GB	On-Demand	Reactive	MMP7	20	45
C[C@@H]1CN(C(=O)NNC(=O)COCc2ccccc2)CCN1S(C)(=O)=O	ZINC000852132596	GB	On-Demand	Reactive	MMP1	20	45
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852132597	FF	On-Demand	Anodyne	DRD2	21	41
Fc1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)c(Cl)c1	ZINC000852132597	FF	On-Demand	Anodyne	HTR2A	16	41
COC(=O)Cc1csc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)n1	ZINC000852132604	GC	On-Demand	Anodyne	SLC27A1	56	40
CC(C)(C)OC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132611	DD	On-Demand	Anodyne	HTR1A	42	39
CC(C)(C)OC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132611	DD	On-Demand	Anodyne	DRD2	42	40
CC(C)(C)OC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132611	DD	On-Demand	Anodyne	DRD3	59	40
CC(C)(C)OC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132611	DD	On-Demand	Anodyne	HTR7	48	35
Fc1ccc(CN2CCN(c3cc(F)ncn3)CC2)nc1	ZINC000852132622	CD	On-Demand	Anodyne	DRD4	18	41
Fc1cc(N2CCN(Cc3ccc4ncccc4c3)CC2)ncn1	ZINC000852132623	DE	On-Demand	Anodyne	DRD4	29	43
COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132625	GE	On-Demand	Anodyne	DRD4	44	36
COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132625	GE	On-Demand	Anodyne	NPY2R	40	37
CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852132629	GF	On-Demand	Anodyne	GPR119	42	47
CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852132630	GF	On-Demand	Anodyne	GPR119	42	47
Cc1cc(F)ccc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132633	DE	On-Demand	Anodyne	DRD4	20	41
COc1cccc(OCCCNC(=O)NCCC2SCCS2)c1	ZINC000852132635	FF	On-Demand	Anodyne	DRD4	42	32
COc1cccc(OCCCNC(=O)NCCC2SCCS2)c1	ZINC000852132635	FF	On-Demand	Anodyne	HRH2	32	48
COc1cccc(OCCCNC(=O)NCCC2SCCS2)c1	ZINC000852132635	FF	On-Demand	Anodyne	MTNR1A	76	55
COc1cccc(OCCCNC(=O)NCCC2SCCS2)c1	ZINC000852132635	FF	On-Demand	Anodyne	MTNR1B	67	55
COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)n1	ZINC000852132640	FC	On-Demand	Anodyne	ACOX1	40	32
COC(=O)c1cccc(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)n1	ZINC000852132640	FC	On-Demand	Anodyne	SLC27A1	67	38
COc1cccc(OCCCNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852132644	FD	On-Demand	Anodyne	DRD4	40	31
COc1cccc(OCCCNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852132644	FD	On-Demand	Anodyne	HRH2	29	41
COc1cccc(OCCCNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852132644	FD	On-Demand	Anodyne	OXTR	15	44
COc1cccc(OCCCNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852132644	FD	On-Demand	Anodyne	MTNR1A	31	45
COc1cccc(OCCCNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852132644	FD	On-Demand	Anodyne	MTNR1B	33	45
COc1cccc(OCCCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852132645	FD	On-Demand	Anodyne	DRD4	40	31
COc1cccc(OCCCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852132645	FD	On-Demand	Anodyne	HRH2	29	41
COc1cccc(OCCCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852132645	FD	On-Demand	Anodyne	OXTR	15	44
COc1cccc(OCCCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852132645	FD	On-Demand	Anodyne	MTNR1A	31	45
COc1cccc(OCCCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852132645	FD	On-Demand	Anodyne	MTNR1B	33	45
Fc1cc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)ncn1	ZINC000852132654	DF	On-Demand	Anodyne	DRD4	17	65
COc1ncccc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132659	DD	On-Demand	Anodyne	DRD4	39	42
COc1cccc(OCCCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852132679	EE	On-Demand	Anodyne	HRH2	31	48
COc1cccc(OCCCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852132679	EE	On-Demand	Anodyne	MTNR1A	66	51
COc1cccc(OCCCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852132679	EE	On-Demand	Anodyne	MTNR1B	62	51
COc1cccc(OCCCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852132679	EE	On-Demand	Anodyne	EPHX2	20	41
COc1cccc(OCCCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852132680	EE	On-Demand	Anodyne	HRH2	31	48
COc1cccc(OCCCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852132680	EE	On-Demand	Anodyne	MTNR1A	66	51
COc1cccc(OCCCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852132680	EE	On-Demand	Anodyne	MTNR1B	62	51
COc1cccc(OCCCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852132680	EE	On-Demand	Anodyne	EPHX2	20	41
Fc1cc(N2CCN(Cc3cncc(OCc4ccccc4)c3)CC2)ncn1	ZINC000852132683	GF	On-Demand	Anodyne	DRD4	20	48
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	HTR1A	87	58
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	DRD2	76	58
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	DRD1	17	58
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	DRD4	60	58
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	HTR2A	49	58
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	DRD3	70	58
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	SLC6A3	22	42
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	HTR7	72	58
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	SIGMAR1	56	57
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	ABCC1	66	36
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	FAAH	20	42
Fc1cc(N2CCN(CCCCc3ccccc3)CC2)ncn1	ZINC000852132684	DF	On-Demand	Anodyne	ABCB1	16	41
COc1cccc(OCCCNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852132695	EC	On-Demand	Reactive	DRD4	44	33
COc1cccc(OCCCNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852132695	EC	On-Demand	Reactive	HRH2	39	44
COc1cccc(OCCCNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852132695	EC	On-Demand	Reactive	DRD3	21	41
COc1cccc(OCCCNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852132695	EC	On-Demand	Reactive	MTNR1A	46	50
COc1cccc(OCCCNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852132695	EC	On-Demand	Reactive	MTNR1B	44	50
N#Cc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1F	ZINC000852132700	DD	On-Demand	Mild	ABCC1	40	39
Fc1cc(N2CCN(CCCN3CCCCC3)CC2)ncn1	ZINC000852132701	DD	On-Demand	Anodyne	HTR1A	15	40
Fc1cc(N2CCN(CCCN3CCCCC3)CC2)ncn1	ZINC000852132701	DD	On-Demand	Anodyne	HNMT	55	33
CC(C)(C)OC(=O)N1CCN(CCN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852132707	GD	On-Demand	Anodyne	GPR119	48	50
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	HTR1A	62	44
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	DRD2	64	58
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	DRD1	18	41
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	DRD4	41	32
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	HTR2A	40	43
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	HTR2C	30	43
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	ADRA1A	45	40
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	DRD3	99	44
CC(C)(C)OC(=O)NCCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132712	GF	On-Demand	Anodyne	HTR7	48	38
Fc1cc(N2CCN(Cc3ncccn3)CC2)ncn1	ZINC000852132714	CC	On-Demand	Anodyne	DRD4	27	42
COC(=O)N(C)CCNC(=O)NCCCOc1cccc(OC)c1	ZINC000852132721	ED	On-Demand	Anodyne	DRD4	41	31
COC(=O)N(C)CCNC(=O)NCCCOc1cccc(OC)c1	ZINC000852132721	ED	On-Demand	Anodyne	HRH2	29	47
COC(=O)N(C)CCNC(=O)NCCCOc1cccc(OC)c1	ZINC000852132721	ED	On-Demand	Anodyne	MTNR1A	83	57
COC(=O)N(C)CCNC(=O)NCCCOc1cccc(OC)c1	ZINC000852132721	ED	On-Demand	Anodyne	MTNR1B	75	57
C[C@H](c1nc2ccccc2o1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132742	EF	On-Demand	Anodyne	SORD	22	41
CN(C)c1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132745	FD	On-Demand	Anodyne	DRD4	16	40
CN(C)c1ccc(NC(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132745	FD	On-Demand	Anodyne	SLC27A1	40	31
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCCc2ccccc21	ZINC000852132746	FE	On-Demand	Anodyne	DRD2	33	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCCc2ccccc21	ZINC000852132746	FE	On-Demand	Anodyne	DRD4	33	48
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCCc2ccccc21	ZINC000852132746	FE	On-Demand	Anodyne	DRD3	34	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCCc2ccccc21	ZINC000852132746	FE	On-Demand	Anodyne	HTR7	42	38
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCCc2ccccc21	ZINC000852132746	FE	On-Demand	Anodyne	EIF2AK3	62	34
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	HTR1A	22	41
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	DRD2	25	41
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	DRD4	27	42
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	HTR2A	17	41
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	DRD3	18	42
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	HTR7	17	41
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	SIGMAR1	17	47
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	ABCC1	60	34
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccc(F)cc1	ZINC000852132762	EE	On-Demand	Anodyne	SLC27A1	42	33
Fc1cc(N2CCN(CCc3ccccc3F)CC2)ncn1	ZINC000852132763	DE	On-Demand	Anodyne	DRD2	24	42
Fc1cc(N2CCN(CCc3ccccc3F)CC2)ncn1	ZINC000852132763	DE	On-Demand	Anodyne	HTR2A	22	42
Fc1cc(N2CCN(CCc3ccccc3F)CC2)ncn1	ZINC000852132763	DE	On-Demand	Anodyne	ABCC1	79	36
Fc1cc(N2CCN(CCc3ccccc3F)CC2)ncn1	ZINC000852132763	DE	On-Demand	Anodyne	ABCB1A	45	32
Fc1cc(N2CCN(Cc3ccccc3OC3CC3)CC2)ncn1	ZINC000852132771	EE	On-Demand	Anodyne	DCK	47	46
Fc1cc(N2CCN(Cc3ccccc3OC3CC3)CC2)ncn1	ZINC000852132771	EE	On-Demand	Anodyne	SCN5A	58	35
Fc1cc(N2CCN(Cc3ccccc3OC3CC3)CC2)ncn1	ZINC000852132771	EE	On-Demand	Anodyne	SCD1	45	38
CCOC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132773	GF	On-Demand	Anodyne	NPY2R	58	42
COc1cccc(OCCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852132774	FF	On-Demand	Anodyne	HRH2	33	47
COc1cccc(OCCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852132774	FF	On-Demand	Anodyne	MTNR1A	52	48
COc1cccc(OCCCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852132774	FF	On-Demand	Anodyne	MTNR1B	45	48
Fc1cc(N2CCN(Cc3cncn3Cc3ccccc3)CC2)ncn1	ZINC000852132781	FE	On-Demand	Anodyne	DRD4	23	41
Fc1cc(N2CCN(Cc3nnc(-c4ccccc4)s3)CC2)ncn1	ZINC000852132787	FE	On-Demand	Anodyne	DRD4	17	40
OCc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852132789	DD	On-Demand	Anodyne	DRD4	26	40
Fc1cc(N2CCN(CCc3cscn3)CC2)ncn1	ZINC000852132792	CD	On-Demand	Anodyne	ABCC1	59	34
CC(C)(C)OC(=O)CNC(=O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132803	FC	On-Demand	Anodyne	SLC27A1	54	33
COc1cccc(OCCCNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852132808	FF	On-Demand	Reactive	DRD4	42	35
COc1cccc(OCCCNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852132808	FF	On-Demand	Reactive	HRH2	29	45
COc1cccc(OCCCNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852132808	FF	On-Demand	Reactive	F10	51	33
COc1cccc(OCCCNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852132808	FF	On-Demand	Reactive	MTNR1A	60	54
COc1cccc(OCCCNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852132808	FF	On-Demand	Reactive	MTNR1B	58	54
FCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132810	CD	On-Demand	Anodyne	HTR1A	21	43
FCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132810	CD	On-Demand	Anodyne	DRD2	20	43
FCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132810	CD	On-Demand	Anodyne	DRD4	19	40
FCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132810	CD	On-Demand	Anodyne	DRD3	25	40
Fc1cc(N2CCN(CCCc3ccncc3)CC2)ncn1	ZINC000852132816	DD	On-Demand	Anodyne	HTR1A	18	49
Fc1cc(N2CCN(CCCc3ccncc3)CC2)ncn1	ZINC000852132816	DD	On-Demand	Anodyne	DRD2	21	51
Fc1cc(N2CCN(CCCc3ccncc3)CC2)ncn1	ZINC000852132816	DD	On-Demand	Anodyne	DRD4	23	49
Fc1cc(N2CCN(CCCc3ccncc3)CC2)ncn1	ZINC000852132816	DD	On-Demand	Anodyne	DRD3	15	49
Fc1cc(N2CCN(CCCc3ccncc3)CC2)ncn1	ZINC000852132816	DD	On-Demand	Anodyne	SIGMAR1	23	52
Fc1cc(N2CCN(CCCc3ccncc3)CC2)ncn1	ZINC000852132816	DD	On-Demand	Anodyne	ABCC1	58	36
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	HTR1A	16	42
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	DRD4	48	39
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	HRH2	46	52
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	DRD3	31	42
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	SIGMAR1	15	40
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	CCR3	22	41
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	MTNR1A	84	55
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	MTNR1B	77	55
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	EPHX2	31	41
COc1ccc(N2CC[C@H](NC(=O)NCCCOc3cccc(OC)c3)C2)cc1	ZINC000852132821	GG	On-Demand	Clean	MCHR1	23	48
Cn1nccc1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132834	CC	On-Demand	Anodyne	DRD4	23	40
Cn1nccc1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132834	CC	On-Demand	Anodyne	ABCC1	86	37
Cn1nccc1CCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132834	CC	On-Demand	Anodyne	ABCB1A	40	33
CCCOc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132837	EF	On-Demand	Anodyne	DRD2	19	52
CCCOc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132837	EF	On-Demand	Anodyne	DRD4	22	42
CCCOc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852132837	EF	On-Demand	Anodyne	HRH2	32	44
Fc1cc(N2CCN(CCc3cccc(F)c3F)CC2)ncn1	ZINC000852132847	DE	On-Demand	Anodyne	ABCC1	74	37
Fc1cc(N2CCN(CCc3cccc(F)c3F)CC2)ncn1	ZINC000852132847	DE	On-Demand	Anodyne	ABCB1A	45	35
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852132860	GD	On-Demand	Bother	ABCC1	45	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852132860	GD	On-Demand	Bother	WDR5	36	43
COC(=O)[C@@H](c1ccsc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132863	ED	On-Demand	Anodyne	NPY2R	51	40
COC(=O)[C@@H](c1ccsc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132863	ED	On-Demand	Anodyne	NPBWR1	49	35
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)n1	ZINC000852132864	ED	On-Demand	Anodyne	HTR1A	15	40
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)n1	ZINC000852132864	ED	On-Demand	Anodyne	DRD4	40	32
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)n1	ZINC000852132864	ED	On-Demand	Anodyne	DRD3	22	40
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	HTR1A	59	43
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	DRD2	61	57
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	DRD1	18	40
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	DRD4	42	32
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	ADRA1D	51	41
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	HTR2A	43	42
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	HTR2C	32	41
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	ADRA1A	63	41
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	DRD3	95	43
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	HRP1_PLAFA	46	37
CC(C)(C)OC(=O)NCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132865	ED	On-Demand	Anodyne	HTR7	44	37
Fc1cc(N2CCN(CCCc3ccccc3Br)CC2)ncn1	ZINC000852132873	GG	On-Demand	Anodyne	HTR1A	25	44
Fc1cc(N2CCN(CCCc3ccccc3Br)CC2)ncn1	ZINC000852132873	GG	On-Demand	Anodyne	DRD2	27	44
Fc1cc(N2CCN(CCCc3ccccc3Br)CC2)ncn1	ZINC000852132873	GG	On-Demand	Anodyne	DRD4	26	41
Fc1cc(N2CCN(CCCc3ccccc3Br)CC2)ncn1	ZINC000852132873	GG	On-Demand	Anodyne	DRD3	26	41
Fc1cc(N2CCN(CCCc3ccccc3Br)CC2)ncn1	ZINC000852132873	GG	On-Demand	Anodyne	HTR7	16	41
Fc1cc(N2CCN(CCCc3ccccc3Br)CC2)ncn1	ZINC000852132873	GG	On-Demand	Anodyne	SIGMAR1	19	46
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	EGFR	15	40
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	HTR1A	136	49
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	DRD2	112	49
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	DRD1	29	42
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	DRD4	73	43
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	ADRA1D	47	49
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	HTR2A	65	43
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	HTR2C	18	41
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	SLC6A4	18	40
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	ADRA1A	55	49
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	ADRA1B	36	49
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	DRD3	108	43
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	PDGFRB	42	35
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	HTR7	91	44
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	SIGMAR1	35	43
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	ABCB1	15	43
COc1cccc(OC)c1OCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852132879	GF	On-Demand	Anodyne	EHMT2	44	31
COc1cccc(OCCCNC(=O)NCc2ncccn2)c1	ZINC000852132889	DD	On-Demand	Anodyne	DRD4	41	31
COc1cccc(OCCCNC(=O)NCc2ncccn2)c1	ZINC000852132889	DD	On-Demand	Anodyne	HRH2	32	48
COc1cccc(OCCCNC(=O)NCc2ncccn2)c1	ZINC000852132889	DD	On-Demand	Anodyne	MTNR1A	87	59
COc1cccc(OCCCNC(=O)NCc2ncccn2)c1	ZINC000852132889	DD	On-Demand	Anodyne	MTNR1B	81	59
COc1cccc(OCCCNC(=O)NCc2ncccn2)c1	ZINC000852132889	DD	On-Demand	Anodyne	ROCK2	23	42
COc1cccc(OCCCNC(=O)NCc2ncccn2)c1	ZINC000852132889	DD	On-Demand	Anodyne	PDS	22	40
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1C	ZINC000852132890	DE	On-Demand	Anodyne	HTR1A	16	40
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1C	ZINC000852132890	DE	On-Demand	Anodyne	DRD2	22	45
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1C	ZINC000852132890	DE	On-Demand	Anodyne	DRD4	34	40
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1C	ZINC000852132890	DE	On-Demand	Anodyne	DRD3	19	40
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1C	ZINC000852132890	DE	On-Demand	Anodyne	SSTR5	53	37
Fc1cc(N2CCN(Cc3cn(Cc4ccccc4)nn3)CC2)ncn1	ZINC000852132896	FD	On-Demand	Anodyne	DRD2	18	44
Fc1cc(N2CCN(Cc3cn(Cc4ccccc4)nn3)CC2)ncn1	ZINC000852132896	FD	On-Demand	Anodyne	DRD4	35	44
Fc1cc(N2CCN(Cc3cn(Cc4ccccc4)nn3)CC2)ncn1	ZINC000852132896	FD	On-Demand	Anodyne	DRD3	18	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc2C1	ZINC000852132900	FD	On-Demand	Anodyne	HTR1A	23	52
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc2C1	ZINC000852132900	FD	On-Demand	Anodyne	DRD2	16	52
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc2C1	ZINC000852132900	FD	On-Demand	Anodyne	DRD3	18	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc2C1	ZINC000852132900	FD	On-Demand	Anodyne	HTR7	31	52
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCc2ccccc2C1	ZINC000852132900	FD	On-Demand	Anodyne	DPP8	18	42
CN(C)[C@@H](CNC(=O)CN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852132901	GD	On-Demand	Anodyne	SLC27A1	62	34
O=[N+]([O-])c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1F	ZINC000852132903	ED	On-Demand	Bother	ABCC1	62	40
O=[N+]([O-])c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1F	ZINC000852132903	ED	On-Demand	Bother	ABCB1A	36	40
Fc1cc(N2CCN(CCOc3ccc(Cl)c(F)c3)CC2)ncn1	ZINC000852132915	FF	On-Demand	Anodyne	DRD2	17	42
Fc1cc(N2CCN(CCOc3ccc(Cl)c(F)c3)CC2)ncn1	ZINC000852132915	FF	On-Demand	Anodyne	DRD4	19	42
Fc1cc(N2CCN(CCOc3ccc(Cl)c(F)c3)CC2)ncn1	ZINC000852132915	FF	On-Demand	Anodyne	LTA4H	34	41
Fc1cc(N2CCN(CCOc3ccc(Cl)c(F)c3)CC2)ncn1	ZINC000852132915	FF	On-Demand	Anodyne	HRH3	15	42
Fc1cc(N2CCN(Cc3nc(-c4ccccc4)cs3)CC2)ncn1	ZINC000852132928	FG	On-Demand	Anodyne	DRD4	17	51
Fc1cc(N2CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)ncn1	ZINC000852132931	GE	On-Demand	Anodyne	DRD4	30	43
Fc1cc(N2CCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)ncn1	ZINC000852132932	GE	On-Demand	Anodyne	DRD4	30	43
COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132934	GF	On-Demand	Anodyne	NPY2R	54	39
COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132934	GF	On-Demand	Anodyne	PLK1	40	36
COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132934	GF	On-Demand	Anodyne	RBP4	24	41
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132947	GD	On-Demand	Bother	ABCB1	76	45
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852132948	GD	On-Demand	Bother	ABCB1	76	45
Fc1cc(N2CCN(Cc3cn(-c4ccc(F)c(Cl)c4)nn3)CC2)ncn1	ZINC000852132952	GE	On-Demand	Anodyne	DRD4	18	45
Fc1cc(N2CCN(Cc3nc(-c4ccccc4Cl)cs3)CC2)ncn1	ZINC000852132956	GH	On-Demand	Anodyne	DRD4	15	42
Fc1cc(N2CCN(C[C@H]3CCc4ccccc4C3)CC2)ncn1	ZINC000852132966	EF	On-Demand	Anodyne	PTGIR	45	35
Fc1cc(N2CCN(C[C@@H]3CCc4ccccc4C3)CC2)ncn1	ZINC000852132967	EF	On-Demand	Anodyne	PTGIR	45	35
Fc1cc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)ncn1	ZINC000852132971	EE	On-Demand	Anodyne	DRD2	17	44
Fc1cc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)ncn1	ZINC000852132971	EE	On-Demand	Anodyne	DRD4	43	44
Fc1cc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)ncn1	ZINC000852132971	EE	On-Demand	Anodyne	DRD3	15	44
Fc1cc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)ncn1	ZINC000852132971	EE	On-Demand	Anodyne	SLC18A3	26	44
Fc1cc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)ncn1	ZINC000852132972	EE	On-Demand	Anodyne	DRD2	17	44
Fc1cc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)ncn1	ZINC000852132972	EE	On-Demand	Anodyne	DRD4	43	44
Fc1cc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)ncn1	ZINC000852132972	EE	On-Demand	Anodyne	DRD3	15	44
Fc1cc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)ncn1	ZINC000852132972	EE	On-Demand	Anodyne	SLC18A3	26	44
Fc1cc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)ncn1	ZINC000852132976	EG	On-Demand	Anodyne	DRD2	18	45
Fc1cc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)ncn1	ZINC000852132976	EG	On-Demand	Anodyne	DRD4	31	45
Fc1cc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)ncn1	ZINC000852132976	EG	On-Demand	Anodyne	DRD3	24	45
CC(C)(C)OC(=O)N1CCC(CCN2CCN(c3cc(F)ncn3)CC2)CC1	ZINC000852132990	GF	On-Demand	Anodyne	GPR119	64	55
COC(=O)[C@@H](c1ccccc1C)N1CCN(c2cc(F)ncn2)CC1	ZINC000852132996	ED	On-Demand	Anodyne	NPY2R	59	40
Fc1cc(N2CCN(Cc3nccn3-c3ccccc3)CC2)ncn1	ZINC000852132997	EE	On-Demand	Anodyne	DRD4	34	41
Nc1ncccc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133003	CC	On-Demand	Anodyne	DRD4	27	40
CC(C)(C)OC(=O)NCCOCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133004	FD	On-Demand	Anodyne	DRD2	33	47
CC(C)(C)OC(=O)NCCOCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133004	FD	On-Demand	Anodyne	DRD4	40	31
CC(C)(C)OC(=O)NCCOCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133004	FD	On-Demand	Anodyne	DRD3	60	37
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	HTR1A	47	47
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	DRD2	51	47
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	DRD1	15	46
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	DRD4	40	46
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	HTR2A	31	46
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	DRD3	45	46
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	HTR7	34	46
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	HRH3	25	42
Fc1cc(N2CCN(CCCOCc3ccccc3)CC2)ncn1	ZINC000852133019	EE	On-Demand	Anodyne	SIGMAR1	36	44
Fc1cc(N2CCN(Cc3cc(Cl)ccc3F)CC2)ncn1	ZINC000852133023	DF	On-Demand	Anodyne	DRD4	36	40
Fc1cc(N2CCN(Cc3ccc(F)c(Cl)c3)CC2)ncn1	ZINC000852133026	DF	On-Demand	Anodyne	DRD4	45	39
Fc1cc(N2CCN(Cc3ccc(F)c(Cl)c3)CC2)ncn1	ZINC000852133026	DF	On-Demand	Anodyne	ABCC1	53	34
CN(C)C(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133027	CC	On-Demand	Anodyne	DRD2	23	42
CN(C)C(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133027	CC	On-Demand	Anodyne	DRD3	30	42
COc1cccc(OCCCNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852133032	GE	On-Demand	Anodyne	DRD4	41	31
COc1cccc(OCCCNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852133032	GE	On-Demand	Anodyne	HRH2	29	41
COc1cccc(OCCCNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852133032	GE	On-Demand	Anodyne	OXTR	15	45
COc1cccc(OCCCNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852133032	GE	On-Demand	Anodyne	MTNR1A	36	46
COc1cccc(OCCCNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852133032	GE	On-Demand	Anodyne	MTNR1B	37	46
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCC(=O)c1ccccc1	ZINC000852133033	FD	On-Demand	Anodyne	HTR1A	39	51
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCC(=O)c1ccccc1	ZINC000852133033	FD	On-Demand	Anodyne	DRD2	33	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCC(=O)c1ccccc1	ZINC000852133033	FD	On-Demand	Anodyne	DRD4	46	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCC(=O)c1ccccc1	ZINC000852133033	FD	On-Demand	Anodyne	HTR2A	16	41
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCC(=O)c1ccccc1	ZINC000852133033	FD	On-Demand	Anodyne	DRD3	42	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)NCC(=O)c1ccccc1	ZINC000852133033	FD	On-Demand	Anodyne	HTR7	46	39
COC(=O)[C@@H](c1cccc(Cl)c1Cl)N1CCN(c2cc(F)ncn2)CC1	ZINC000852133035	GF	On-Demand	Anodyne	NPY2R	40	37
O=S(=O)(CCN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852133036	FD	On-Demand	Anodyne	DRD4	19	40
O=S(=O)(CCN1CCN(c2cc(F)ncn2)CC1)c1ccc(F)cc1	ZINC000852133036	FD	On-Demand	Anodyne	HTR7	15	40
N#Cc1cc(Cl)ccc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133043	EE	On-Demand	Mild	DRD4	21	40
Fc1cc(N2CCN(Cc3cccc(C(F)F)c3)CC2)ncn1	ZINC000852133050	DF	On-Demand	Anodyne	DRD4	20	45
O[C@@H](CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852133056	DD	On-Demand	Anodyne	HTR1A	22	65
O[C@@H](CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852133056	DD	On-Demand	Anodyne	SLC6A3	18	50
O[C@H](CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852133057	DD	On-Demand	Anodyne	HTR1A	22	65
O[C@H](CCN1CCN(c2cc(F)ncn2)CC1)c1ccccc1	ZINC000852133057	DD	On-Demand	Anodyne	SLC6A3	18	50
COc1cccc(OCCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852133058	CE	On-Demand	Anodyne	DRD4	41	31
COc1cccc(OCCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852133058	CE	On-Demand	Anodyne	HRH2	38	48
COc1cccc(OCCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852133058	CE	On-Demand	Anodyne	MTNR1A	68	53
COc1cccc(OCCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852133058	CE	On-Demand	Anodyne	MTNR1B	61	53
COc1cccc(OCCCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852133058	CE	On-Demand	Anodyne	EPHX2	20	40
COc1cccc(OCCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852133059	CE	On-Demand	Anodyne	DRD4	41	31
COc1cccc(OCCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852133059	CE	On-Demand	Anodyne	HRH2	38	48
COc1cccc(OCCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852133059	CE	On-Demand	Anodyne	MTNR1A	68	53
COc1cccc(OCCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852133059	CE	On-Demand	Anodyne	MTNR1B	61	53
COc1cccc(OCCCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852133059	CE	On-Demand	Anodyne	EPHX2	20	40
Fc1cc(N2CCN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)ncn1	ZINC000852133067	FF	On-Demand	Anodyne	DRD4	27	43
Fc1cc(N2CCN(Cc3cccc(Cl)c3F)CC2)ncn1	ZINC000852133069	DF	On-Demand	Anodyne	DRD2	17	40
Fc1cc(N2CCN(Cc3cccc(Cl)c3F)CC2)ncn1	ZINC000852133069	DF	On-Demand	Anodyne	DRD4	36	40
Fc1cc(N2CCN(Cc3cccc(Cl)c3F)CC2)ncn1	ZINC000852133069	DF	On-Demand	Anodyne	DRD3	19	40
Fc1cc(N2CCN(Cc3ccc(Cl)c(F)c3)CC2)ncn1	ZINC000852133070	DF	On-Demand	Anodyne	ABCC1	53	36
O=C(CCN1CCN(c2cc(F)ncn2)CC1)OCc1ccccc1	ZINC000852133071	ED	On-Demand	Anodyne	HTR1A	41	42
O=C(CCN1CCN(c2cc(F)ncn2)CC1)OCc1ccccc1	ZINC000852133071	ED	On-Demand	Anodyne	DRD4	40	38
O=C(CCN1CCN(c2cc(F)ncn2)CC1)OCc1ccccc1	ZINC000852133071	ED	On-Demand	Anodyne	HTR7	41	37
O=C(CCN1CCN(c2cc(F)ncn2)CC1)OCc1ccccc1	ZINC000852133071	ED	On-Demand	Anodyne	SLC12A5	57	33
Fc1cc(N2CCN(Cc3cnc4ccccc4c3)CC2)ncn1	ZINC000852133077	DE	On-Demand	Anodyne	DRD4	28	45
CCOc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1[N+](=O)[O-]	ZINC000852133081	FE	On-Demand	Bother	SSTR5	71	43
CC(C)(C)OC(=O)N1CC(CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852133084	FD	On-Demand	Anodyne	GPR119	45	47
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	HTR1A	100	57
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	DRD2	70	57
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	DRD1	16	43
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	DRD4	78	52
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	HTR2A	60	57
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	HTR2C	15	40
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	ADRA1A	23	42
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	ADRA1B	15	40
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	DRD3	74	52
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	SLC6A3	19	41
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	DRD5	17	43
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	HTR7	103	46
Fc1cc(N2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)ncn1	ZINC000852133093	GD	On-Demand	Anodyne	SIGMAR1	30	50
Fc1cc(N2CCN(Cc3c(F)cccc3F)CC2)ncn1	ZINC000852133095	DE	On-Demand	Anodyne	DRD4	30	40
O=C(CCN1CCN(c2cc(F)ncn2)CC1)N1CCOc2ccccc21	ZINC000852133136	FD	On-Demand	Anodyne	DRD4	28	44
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000852133147	GC	On-Demand	Reactive	HRH2	38	44
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000852133147	GC	On-Demand	Reactive	MTNR1A	23	42
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000852133147	GC	On-Demand	Reactive	MTNR1B	26	42
Fc1cc(N2CCN(CCc3cn[nH]c3)CC2)ncn1	ZINC000852133161	CC	On-Demand	Anodyne	ABCC1	77	36
Fc1cc(N2CCN(CCc3cn[nH]c3)CC2)ncn1	ZINC000852133161	CC	On-Demand	Anodyne	ABCB1A	45	33
Fc1cc(N2CCN(CCc3cccc(Cl)c3Cl)CC2)ncn1	ZINC000852133162	FG	On-Demand	Anodyne	DRD2	25	40
Fc1cc(N2CCN(CCc3cccc(Cl)c3Cl)CC2)ncn1	ZINC000852133162	FG	On-Demand	Anodyne	DRD3	29	40
Fc1cc(N2CCN(CCc3cccc(Cl)c3Cl)CC2)ncn1	ZINC000852133162	FG	On-Demand	Anodyne	ABCC1	50	34
N#CC1(NC(=O)CN2CCN(c3cc(F)ncn3)CC2)CCC1	ZINC000852133168	DC	On-Demand	Mild	SLC27A1	54	34
COC(=O)/C=C\c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133171	GE	On-Demand	Anodyne	DRD2	21	40
COC(=O)/C=C\c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133171	GE	On-Demand	Anodyne	DRD4	40	32
COC(=O)/C=C\c1ccc(OCCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133171	GE	On-Demand	Anodyne	DRD3	31	40
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852133174	GC	On-Demand	Reactive	DRD4	41	31
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852133174	GC	On-Demand	Reactive	HRH2	36	43
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852133174	GC	On-Demand	Reactive	MTNR1A	40	46
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852133174	GC	On-Demand	Reactive	MTNR1B	39	46
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852133175	GC	On-Demand	Reactive	DRD4	41	31
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852133175	GC	On-Demand	Reactive	HRH2	36	43
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852133175	GC	On-Demand	Reactive	MTNR1A	40	46
COc1cccc(OCCCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852133175	GC	On-Demand	Reactive	MTNR1B	39	46
COc1cccc(OCCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852133176	GC	On-Demand	Reactive	DRD4	41	31
COc1cccc(OCCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852133176	GC	On-Demand	Reactive	HRH2	36	43
COc1cccc(OCCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852133176	GC	On-Demand	Reactive	MTNR1A	40	46
COc1cccc(OCCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852133176	GC	On-Demand	Reactive	MTNR1B	39	46
COc1cccc(OCCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852133177	GC	On-Demand	Reactive	DRD4	41	31
COc1cccc(OCCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852133177	GC	On-Demand	Reactive	HRH2	36	43
COc1cccc(OCCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852133177	GC	On-Demand	Reactive	MTNR1A	40	46
COc1cccc(OCCCNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852133177	GC	On-Demand	Reactive	MTNR1B	39	46
CCCc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133179	DF	On-Demand	Anodyne	DRD4	21	40
CCCc1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133179	DF	On-Demand	Anodyne	ABCC1	51	33
COc1cccc(OCCCNC(=O)NCC2SCCS2)c1	ZINC000852133182	EF	On-Demand	Anodyne	DRD4	42	32
COc1cccc(OCCCNC(=O)NCC2SCCS2)c1	ZINC000852133182	EF	On-Demand	Anodyne	HRH2	32	48
COc1cccc(OCCCNC(=O)NCC2SCCS2)c1	ZINC000852133182	EF	On-Demand	Anodyne	MTNR1A	77	55
COc1cccc(OCCCNC(=O)NCC2SCCS2)c1	ZINC000852133182	EF	On-Demand	Anodyne	MTNR1B	69	55
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccnc1	ZINC000852133191	ED	On-Demand	Anodyne	HTR1A	17	46
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccnc1	ZINC000852133191	ED	On-Demand	Anodyne	DRD4	29	44
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccnc1	ZINC000852133191	ED	On-Demand	Anodyne	CHRNA7	27	45
O=C(CCN1CCN(c2cc(F)ncn2)CC1)Nc1cccnc1	ZINC000852133191	ED	On-Demand	Anodyne	ABCC1	18	45
Fc1cc(F)cc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133195	DE	On-Demand	Anodyne	DRD4	21	46
CC(C)(C)OC(=O)N1CC(N2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852133208	ED	On-Demand	Anodyne	GPR119	47	49
O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133217	GD	On-Demand	Bother	KCNJ1	27	40
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	HTR1A	36	47
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	DRD2	34	49
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	DRD4	28	47
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	HTR1D	15	42
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	HTR2A	25	47
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	DRD3	25	47
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	HTR7	24	47
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	SIGMAR1	32	55
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	ABCC1	70	37
Fc1cccc(CCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133224	DF	On-Demand	Anodyne	ABCB1A	45	33
FCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133227	CD	On-Demand	Anodyne	HTR1A	22	45
FCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133227	CD	On-Demand	Anodyne	DRD2	19	45
FCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133227	CD	On-Demand	Anodyne	DRD4	18	40
FCCCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133227	CD	On-Demand	Anodyne	DRD3	24	40
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	HTR1A	47	44
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	DRD2	50	45
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	DRD1	16	41
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	DRD4	44	41
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	HTR2A	38	44
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	ADRA1A	16	44
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	DRD3	50	41
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	HTR7	43	41
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	SIGMAR1	31	45
Fc1cc(N2CCN(CCCc3ccccc3Cl)CC2)ncn1	ZINC000852133232	EG	On-Demand	Anodyne	ABCC1	20	40
COc1cccc(OCCCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852133244	GF	On-Demand	Anodyne	HRH2	28	47
COc1cccc(OCCCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852133244	GF	On-Demand	Anodyne	MTNR1A	50	51
COc1cccc(OCCCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852133244	GF	On-Demand	Anodyne	MTNR1B	48	51
COc1cccc(OCCCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852133244	GF	On-Demand	Anodyne	PDS	48	33
COc1cccc(OCCCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852133245	GF	On-Demand	Anodyne	HRH2	28	47
COc1cccc(OCCCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852133245	GF	On-Demand	Anodyne	MTNR1A	50	51
COc1cccc(OCCCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852133245	GF	On-Demand	Anodyne	MTNR1B	48	51
COc1cccc(OCCCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852133245	GF	On-Demand	Anodyne	PDS	48	33
COc1cccc(OCCCNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852133249	FE	On-Demand	Anodyne	DRD4	43	33
COc1cccc(OCCCNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852133249	FE	On-Demand	Anodyne	HRH2	26	41
COc1cccc(OCCCNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852133249	FE	On-Demand	Anodyne	MTNR1A	36	46
COc1cccc(OCCCNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852133249	FE	On-Demand	Anodyne	MTNR1B	35	46
Fc1cc(N2CCN(Cc3cccc(F)c3Cl)CC2)ncn1	ZINC000852133254	DF	On-Demand	Anodyne	DRD4	30	40
Fc1cc(N2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)ncn1	ZINC000852133258	EG	On-Demand	Anodyne	DRD4	28	41
COCCSCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133266	DD	On-Demand	Anodyne	DRD2	15	41
COCCSCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133266	DD	On-Demand	Anodyne	DRD4	17	41
COCCSCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133266	DD	On-Demand	Anodyne	DRD3	20	41
CO[C@@H](CN1CCN(c2cc(F)ncn2)CC1)c1ccc(Cl)cc1	ZINC000852133267	FF	On-Demand	Anodyne	DRD4	17	40
C#C[C@@H](NC(=O)NCCCOc1cccc(OC)c1)C1CCOCC1	ZINC000852133272	EE	On-Demand	Mild	HRH2	32	45
C#C[C@@H](NC(=O)NCCCOc1cccc(OC)c1)C1CCOCC1	ZINC000852133272	EE	On-Demand	Mild	MTNR1A	59	47
C#C[C@@H](NC(=O)NCCCOc1cccc(OC)c1)C1CCOCC1	ZINC000852133272	EE	On-Demand	Mild	MTNR1B	52	47
C#C[C@H](NC(=O)NCCCOc1cccc(OC)c1)C1CCOCC1	ZINC000852133273	EE	On-Demand	Mild	HRH2	32	45
C#C[C@H](NC(=O)NCCCOc1cccc(OC)c1)C1CCOCC1	ZINC000852133273	EE	On-Demand	Mild	MTNR1A	59	47
C#C[C@H](NC(=O)NCCCOc1cccc(OC)c1)C1CCOCC1	ZINC000852133273	EE	On-Demand	Mild	MTNR1B	52	47
O[C@@H](CCc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133276	ED	On-Demand	Anodyne	ABCB1	63	47
O[C@H](CCc1ccccc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133277	ED	On-Demand	Anodyne	ABCB1	63	47
Fc1cc(N2CCN(Cc3ccn(-c4ccccc4F)n3)CC2)ncn1	ZINC000852133278	FE	On-Demand	Anodyne	DRD4	26	40
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1[N+](=O)[O-]	ZINC000852133285	ED	On-Demand	Bother	SSTR5	29	40
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1[N+](=O)[O-]	ZINC000852133285	ED	On-Demand	Bother	ABCC1	27	40
Fc1cc(N2CCN(CCSCc3ccccc3)CC2)ncn1	ZINC000852133298	EF	On-Demand	Anodyne	DRD2	17	41
CC(C)(C)OC(=O)CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133305	EE	On-Demand	Anodyne	HTR1A	45	37
CC(C)(C)OC(=O)CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133305	EE	On-Demand	Anodyne	DRD2	42	39
CC(C)(C)OC(=O)CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133305	EE	On-Demand	Anodyne	DRD3	58	38
CC(C)(C)OC(=O)CCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133305	EE	On-Demand	Anodyne	HTR7	56	37
O[C@@H](Cc1ccc(F)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133341	ED	On-Demand	Anodyne	SLC27A1	41	31
O[C@H](Cc1ccc(F)cc1)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133342	ED	On-Demand	Anodyne	SLC27A1	41	31
Fc1cc(N2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)ncn1	ZINC000852133379	FF	On-Demand	Anodyne	DRD4	17	43
Fc1cc(N2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)ncn1	ZINC000852133387	FE	On-Demand	Anodyne	DRD4	40	48
Fc1cc(N2CCN(Cc3ccc(-c4ccccn4)nc3)CC2)ncn1	ZINC000852133387	FE	On-Demand	Anodyne	ABCC1	55	35
COC(=O)c1ccc2nc(CN3CCN(c4cc(F)ncn4)CC3)[nH]c2c1	ZINC000852133397	FD	On-Demand	Anodyne	DRD2	21	45
COC(=O)c1ccc2nc(CN3CCN(c4cc(F)ncn4)CC3)[nH]c2c1	ZINC000852133397	FD	On-Demand	Anodyne	DRD4	40	31
CC(C)(C)OC(=O)N1CC[C@@](O)(CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852133451	GD	On-Demand	Anodyne	GPR119	21	42
CC(C)(C)OC(=O)N1CC[C@](O)(CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852133452	GD	On-Demand	Anodyne	GPR119	21	42
O[C@H](CN1CCN(c2cc(F)ncn2)CC1)c1ccccn1	ZINC000852133457	DC	On-Demand	Anodyne	DRD4	27	40
O[C@@H](CN1CCN(c2cc(F)ncn2)CC1)c1ccccn1	ZINC000852133458	DC	On-Demand	Anodyne	DRD4	27	40
CC(C)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133492	DG	On-Demand	Anodyne	DRD2	18	45
CC(C)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133492	DG	On-Demand	Anodyne	DRD4	22	44
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ncn1	ZINC000852133493	DD	On-Demand	Anodyne	HTR1A	31	51
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ncn1	ZINC000852133493	DD	On-Demand	Anodyne	DRD2	37	51
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ncn1	ZINC000852133493	DD	On-Demand	Anodyne	DRD4	37	42
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ncn1	ZINC000852133493	DD	On-Demand	Anodyne	HTR2A	19	42
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ncn1	ZINC000852133493	DD	On-Demand	Anodyne	DRD3	34	42
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ncn1	ZINC000852133493	DD	On-Demand	Anodyne	LTA4H	21	40
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ncn1	ZINC000852133493	DD	On-Demand	Anodyne	HTR7	20	42
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ncn1	ZINC000852133493	DD	On-Demand	Anodyne	SIGMAR1	28	43
Fc1cc(N2CCN(Cc3ccc(OCc4ccccc4)nc3)CC2)ncn1	ZINC000852133498	GF	On-Demand	Anodyne	DRD4	20	40
Fc1cc(N2CCN(Cc3ccc(CN4CCOCC4)cc3)CC2)ncn1	ZINC000852133500	FD	On-Demand	Anodyne	DRD4	27	40
Fc1cc(N2CCN(CCN3CCc4ccccc43)CC2)ncn1	ZINC000852133504	ED	On-Demand	Anodyne	DRD2	25	40
Fc1cc(N2CCN(CCN3CCc4ccccc43)CC2)ncn1	ZINC000852133504	ED	On-Demand	Anodyne	DRD3	24	43
CS(=O)(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133571	FD	On-Demand	Anodyne	DRD4	17	42
Fc1cc(N2CCN(Cc3ccc(CN4CCCCC4)cc3)CC2)ncn1	ZINC000852133573	FF	On-Demand	Anodyne	DRD4	27	41
Fc1cc(N2CCN(Cc3ccc(CN4CCCCC4)cc3)CC2)ncn1	ZINC000852133573	FF	On-Demand	Anodyne	HRH3	24	50
CNC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133577	CC	On-Demand	Anodyne	DRD2	34	42
CNC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133577	CC	On-Demand	Anodyne	DRD3	45	42
CNC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133577	CC	On-Demand	Anodyne	HTR7	56	39
Fc1cc(N2CCN(CCc3nsc4ccccc34)CC2)ncn1	ZINC000852133578	EF	On-Demand	Anodyne	HTR1A	26	43
Fc1cc(N2CCN(CCc3nsc4ccccc34)CC2)ncn1	ZINC000852133578	EF	On-Demand	Anodyne	DRD2	30	43
Fc1cc(N2CCN(CCc3nsc4ccccc34)CC2)ncn1	ZINC000852133578	EF	On-Demand	Anodyne	HTR2A	35	40
COCCc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133591	GD	On-Demand	Anodyne	ADRB1	17	44
COCCc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133591	GD	On-Demand	Anodyne	ACOX1	78	36
COCCc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133591	GD	On-Demand	Anodyne	ABCB1	63	42
COCCc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133592	GD	On-Demand	Anodyne	ADRB1	17	44
COCCc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133592	GD	On-Demand	Anodyne	ACOX1	78	36
COCCc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133592	GD	On-Demand	Anodyne	ABCB1	63	42
COC(=O)c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1Cl	ZINC000852133596	FE	On-Demand	Anodyne	DRD4	43	33
CSc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133609	GD	On-Demand	Anodyne	ACOX1	87	38
CSc1ccc(OC[C@@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133609	GD	On-Demand	Anodyne	ABCB1	62	45
CSc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133610	GD	On-Demand	Anodyne	ACOX1	87	38
CSc1ccc(OC[C@H](O)CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852133610	GD	On-Demand	Anodyne	ABCB1	62	45
Fc1cc(N2CCN(CC[C@@H]3CCc4ccccc43)CC2)ncn1	ZINC000852133624	EF	On-Demand	Anodyne	HTR1A	15	44
Fc1cc(N2CCN(CC[C@@H]3CCc4ccccc43)CC2)ncn1	ZINC000852133624	EF	On-Demand	Anodyne	DRD2	15	43
Fc1cc(N2CCN(CC[C@@H]3CCc4ccccc43)CC2)ncn1	ZINC000852133624	EF	On-Demand	Anodyne	DRD4	16	41
Fc1cc(N2CCN(CC[C@@H]3CCc4ccccc43)CC2)ncn1	ZINC000852133624	EF	On-Demand	Anodyne	EBP	21	40
Fc1cc(N2CCN(CC[C@H]3CCc4ccccc43)CC2)ncn1	ZINC000852133625	EF	On-Demand	Anodyne	HTR1A	15	44
Fc1cc(N2CCN(CC[C@H]3CCc4ccccc43)CC2)ncn1	ZINC000852133625	EF	On-Demand	Anodyne	DRD2	15	43
Fc1cc(N2CCN(CC[C@H]3CCc4ccccc43)CC2)ncn1	ZINC000852133625	EF	On-Demand	Anodyne	DRD4	16	41
Fc1cc(N2CCN(CC[C@H]3CCc4ccccc43)CC2)ncn1	ZINC000852133625	EF	On-Demand	Anodyne	EBP	21	40
O=C(c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1)C(F)(F)F	ZINC000852133631	FF	On-Demand	Anodyne	DRD2	16	46
O=C(c1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1)C(F)(F)F	ZINC000852133631	FF	On-Demand	Anodyne	DRD4	25	41
CN1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1=O	ZINC000852133694	ED	On-Demand	Anodyne	TACR2	42	36
CN1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1=O	ZINC000852133695	ED	On-Demand	Anodyne	TACR2	42	36
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	HTR1A	56	48
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	DRD2	45	48
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	DRD4	41	47
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	HTR2A	38	45
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	DRD3	37	45
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	SLC6A3	21	41
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	DRD5	17	44
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	LTA4H	22	40
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	HTR7	48	43
Fc1cc(N2CCN(CCOCc3ccccc3)CC2)ccn1	ZINC000852133707	DF	On-Demand	Anodyne	SIGMAR1	30	47
Nc1cccc(CN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852133714	CE	On-Demand	Anodyne	HTR1A	20	48
Nc1cccc(CN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852133714	CE	On-Demand	Anodyne	DRD2	21	48
Nc1cccc(CN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852133714	CE	On-Demand	Anodyne	DRD4	39	48
Nc1cccc(CN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852133714	CE	On-Demand	Anodyne	DRD3	15	48
Cn1cnc(CN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852133716	CD	On-Demand	Anodyne	DRD4	28	40
COC(=O)c1ccc2nc(CN3CCN(c4ccnc(F)c4)CC3)[nH]c2c1	ZINC000852133718	FE	On-Demand	Anodyne	DRD2	15	42
COC(=O)c1ccc2nc(CN3CCN(c4ccnc(F)c4)CC3)[nH]c2c1	ZINC000852133718	FE	On-Demand	Anodyne	HTR7	17	40
O=C(CN1CCN(c2ccnc(F)c2)CC1)Nc1ccc(Cl)nc1	ZINC000852133734	EE	On-Demand	Anodyne	STAT6	37	40
O=C(CN1CCN(c2ccnc(F)c2)CC1)Nc1ccc(Cl)nc1	ZINC000852133734	EE	On-Demand	Anodyne	SLC27A1	62	41
N#C[C@@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852133749	CE	On-Demand	Mild	PTAFR	34	41
N#C[C@H](c1ccccc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852133751	CE	On-Demand	Mild	PTAFR	34	41
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccccc1	ZINC000852133765	ED	On-Demand	Anodyne	HTR1A	46	39
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccccc1	ZINC000852133765	ED	On-Demand	Anodyne	DRD2	40	39
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccccc1	ZINC000852133765	ED	On-Demand	Anodyne	HTR7	36	42
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccccc1	ZINC000852133765	ED	On-Demand	Anodyne	SIGMAR1	34	44
CN(CCN1CCN(c2cc(F)ncn2)CC1)Cc1ccccc1	ZINC000852133765	ED	On-Demand	Anodyne	ABCC1	43	34
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCN(c3ccnc(F)c3)CC2)C1	ZINC000852133777	GD	On-Demand	Anodyne	GPR119	34	40
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCN(c3ccnc(F)c3)CC2)C1	ZINC000852133780	GD	On-Demand	Anodyne	GPR119	34	40
O[C@@H]1CCC[C@H]1N1CCN(c2cc(F)ncn2)CC1	ZINC000852133800	CC	On-Demand	Anodyne	SLC18A3	32	43
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cnccn1	ZINC000852133819	DC	On-Demand	Anodyne	KARS	53	37
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1cnccn1	ZINC000852133819	DC	On-Demand	Anodyne	SLC27A1	66	40
N#Cc1cnccc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133825	CD	On-Demand	Mild	DRD4	15	40
N#Cc1cnccc1CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133825	CD	On-Demand	Mild	GPR119	15	42
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1Cl	ZINC000852133828	EF	On-Demand	Anodyne	DRD2	20	44
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1Cl	ZINC000852133828	EF	On-Demand	Anodyne	DRD4	38	41
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1Cl	ZINC000852133828	EF	On-Demand	Anodyne	DRD3	16	41
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1Cl	ZINC000852133828	EF	On-Demand	Anodyne	SIGMAR1	15	42
COc1cc(CN2CCN(c3cc(F)ncn3)CC2)ccc1Cl	ZINC000852133828	EF	On-Demand	Anodyne	SSTR5	50	40
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852133842	FE	On-Demand	Anodyne	NPY2R	62	43
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852133842	FE	On-Demand	Anodyne	AKT3	59	35
CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133854	FD	On-Demand	Anodyne	DRD3	15	43
CC(C)(C)OC(=O)NCC[C@H](O)CN1CCN(c2cc(F)ncn2)CC1	ZINC000852133855	FD	On-Demand	Anodyne	DRD3	15	43
Fc1cc(N2CCN(Cc3cccc(CN4CCCCC4)c3)CC2)ncn1	ZINC000852133878	FF	On-Demand	Anodyne	DRD2	17	47
Fc1cc(N2CCN(Cc3cccc(CN4CCCCC4)c3)CC2)ncn1	ZINC000852133878	FF	On-Demand	Anodyne	DRD4	30	47
Fc1cc(N2CCN(Cc3cccc(CN4CCCCC4)c3)CC2)ncn1	ZINC000852133878	FF	On-Demand	Anodyne	HRH3	15	42
Fc1cc(N2CCN(CCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852133958	DF	On-Demand	Anodyne	HTR1A	21	47
Fc1cc(N2CCN(CCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852133958	DF	On-Demand	Anodyne	DRD2	24	49
Fc1cc(N2CCN(CCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852133958	DF	On-Demand	Anodyne	DRD4	44	47
Fc1cc(N2CCN(CCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852133958	DF	On-Demand	Anodyne	HTR2A	19	49
Fc1cc(N2CCN(CCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852133958	DF	On-Demand	Anodyne	HTR7	16	42
Fc1cc(N2CCN(CCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852133958	DF	On-Demand	Anodyne	SIGMAR1	24	49
Fc1cc(N2CCN(CCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852133958	DF	On-Demand	Anodyne	ABCC1	115	45
Fc1cc(N2CCN(CCc3ccc(Cl)cc3)CC2)ncn1	ZINC000852133958	DF	On-Demand	Anodyne	ABCB1A	58	38
CC(=O)c1ccccc1NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133968	GE	On-Demand	Anodyne	HTR1A	58	51
CC(=O)c1ccccc1NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133968	GE	On-Demand	Anodyne	DRD2	51	41
CC(=O)c1ccccc1NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133968	GE	On-Demand	Anodyne	DRD4	42	38
CC(=O)c1ccccc1NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133968	GE	On-Demand	Anodyne	ADRA1D	33	45
CC(=O)c1ccccc1NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133968	GE	On-Demand	Anodyne	DRD3	64	41
CC(=O)c1ccccc1NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133968	GE	On-Demand	Anodyne	HTR7	76	51
CC(=O)c1ccccc1NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133968	GE	On-Demand	Anodyne	CHRNA7	20	40
CC(=O)c1ccccc1NC(=O)CCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852133968	GE	On-Demand	Anodyne	SLC27A1	45	32
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)nc1	ZINC000852133986	FD	On-Demand	Anodyne	IKBKB	42	33
O=C(CN1CCN(c2cc(F)ncn2)CC1)Nc1ccc(Cl)nc1	ZINC000852133986	FD	On-Demand	Anodyne	SLC27A1	70	44
COc1cccc(SCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133994	EF	On-Demand	Anodyne	HTR1A	24	44
COc1cccc(SCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133994	EF	On-Demand	Anodyne	DRD2	20	44
COc1cccc(SCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133994	EF	On-Demand	Anodyne	DRD4	46	36
COc1cccc(SCCN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852133994	EF	On-Demand	Anodyne	DRD3	22	40
Fc1cc(N2CCN(Cc3nsc4ccccc34)CC2)ncn1	ZINC000852134018	EF	On-Demand	Anodyne	HTR1A	18	40
COC(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1Cl	ZINC000852134043	FE	On-Demand	Anodyne	MCHR1	20	41
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852134069	GD	On-Demand	Anodyne	HTR1A	77	49
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852134069	GD	On-Demand	Anodyne	DRD2	56	47
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852134069	GD	On-Demand	Anodyne	DRD4	36	47
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852134069	GD	On-Demand	Anodyne	ADRA1D	15	41
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852134069	GD	On-Demand	Anodyne	HTR2A	42	47
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852134069	GD	On-Demand	Anodyne	ADRA1A	19	41
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852134069	GD	On-Demand	Anodyne	DRD3	47	47
O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cc(F)ncn2)CC1	ZINC000852134069	GD	On-Demand	Anodyne	HTR7	55	47
N#Cc1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852134071	DD	On-Demand	Mild	ABCC1	99	42
N#Cc1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852134071	DD	On-Demand	Mild	ABCB1A	47	40
N#Cc1ccc(CCN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852134071	DD	On-Demand	Mild	KCNJ1	54	60
Oc1cc(CN2CCN(c3cc(F)ncn3)CC2)nc(-c2ccccc2)n1	ZINC000852134093	FE	On-Demand	Anodyne	DRD4	27	41
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852134098	GE	On-Demand	Anodyne	GPR119	51	50
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852134099	GE	On-Demand	Anodyne	GPR119	51	50
CN1C[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCC1=O	ZINC000852134102	FD	On-Demand	Anodyne	TACR2	53	36
CN1C[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCC1=O	ZINC000852134103	FD	On-Demand	Anodyne	TACR2	53	36
CN1C[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCC1=O	ZINC000852134104	FD	On-Demand	Anodyne	TACR2	53	36
CN1C[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCC1=O	ZINC000852134105	FD	On-Demand	Anodyne	TACR2	53	36
Fc1cc(N2CCN(CCCc3c(F)cccc3F)CC2)ncn1	ZINC000852134110	EF	On-Demand	Anodyne	HTR1A	39	41
Fc1cc(N2CCN(CCCc3c(F)cccc3F)CC2)ncn1	ZINC000852134110	EF	On-Demand	Anodyne	DRD2	34	42
Fc1cc(N2CCN(CCCc3c(F)cccc3F)CC2)ncn1	ZINC000852134110	EF	On-Demand	Anodyne	DRD4	36	41
Fc1cc(N2CCN(CCCc3c(F)cccc3F)CC2)ncn1	ZINC000852134110	EF	On-Demand	Anodyne	HTR2A	28	41
Fc1cc(N2CCN(CCCc3c(F)cccc3F)CC2)ncn1	ZINC000852134110	EF	On-Demand	Anodyne	DRD3	35	41
Fc1cc(N2CCN(CCCc3c(F)cccc3F)CC2)ncn1	ZINC000852134110	EF	On-Demand	Anodyne	HTR7	25	41
Fc1cc(N2CCN(CCCc3c(F)cccc3F)CC2)ncn1	ZINC000852134110	EF	On-Demand	Anodyne	SIGMAR1	17	42
Fc1cc(N2CCN(CCCc3c(F)cccc3F)CC2)ncn1	ZINC000852134110	EF	On-Demand	Anodyne	ABCC1	61	36
Fc1cc(N2CCN(Cc3ccncc3F)CC2)ncn1	ZINC000852134128	CD	On-Demand	Anodyne	DRD4	19	40
Fc1ccc(SCCN2CCN(c3cc(F)ncn3)CC2)c(F)c1	ZINC000852134131	FF	On-Demand	Anodyne	DRD4	15	40
C[C@H](c1nccc(N)n1)N1CCN(c2cc(F)ncn2)CC1	ZINC000852134133	DC	On-Demand	Anodyne	SORD	56	36
Fc1cc(N2CCN(Cc3cccc(CN4CCOCC4)c3)CC2)ncn1	ZINC000852134145	FD	On-Demand	Anodyne	DRD4	29	48
CNS(=O)(=O)c1ccc(CN2CCN(c3cc(F)ncn3)CC2)cc1	ZINC000852134147	FC	On-Demand	Anodyne	ADORA2B	42	34
Fc1cccc(N2CCN(Cc3cnc4ccccc4n3)CC2)n1	ZINC000852134181	DE	On-Demand	Anodyne	DRD4	36	42
Fc1cccc(N2CCN(Cc3cnc4ccccc4n3)CC2)n1	ZINC000852134181	DE	On-Demand	Anodyne	HTR3A	15	44
CNS(=O)(=O)c1ccc(CN(CC2CC2)c2ccc(OC)cc2)cc1	ZINC000852134212	FG	On-Demand	Clean	BMP1	56	39
CNS(=O)(=O)c1ccc(CN(CC2CC2)c2ccc(OC)cc2)cc1	ZINC000852134212	FG	On-Demand	Clean	MMP13	48	39
CNS(=O)(=O)c1ccc(CN(CC2CC2)c2ccc(OC)cc2)cc1	ZINC000852134212	FG	On-Demand	Clean	MMP3	44	40
CNS(=O)(=O)c1ccc(CN(CC2CC2)c2ccc(OC)cc2)cc1	ZINC000852134212	FG	On-Demand	Clean	MMP9	40	37
CNS(=O)(=O)c1ccc(CN(CC2CC2)c2ccc(OC)cc2)cc1	ZINC000852134212	FG	On-Demand	Clean	MMP1	42	39
O[C@@H](CN1CC[C@@H](c2cccc(Br)c2)C1)c1ccccn1	ZINC000852134228	EG	On-Demand	Anodyne	SLC18A3	22	47
O[C@H](CN1CC[C@@H](c2cccc(Br)c2)C1)c1ccccn1	ZINC000852134229	EG	On-Demand	Anodyne	SLC18A3	22	47
O[C@H](CN1CC[C@H](c2cccc(Br)c2)C1)c1ccccn1	ZINC000852134230	EG	On-Demand	Anodyne	SLC18A3	22	47
O[C@@H](CN1CC[C@H](c2cccc(Br)c2)C1)c1ccccn1	ZINC000852134231	EG	On-Demand	Anodyne	SLC18A3	22	47
O=C(N[C@@H]1CCO[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1)C(F)(F)F	ZINC000852134235	FD	On-Demand	Anodyne	SLC18A3	32	47
Fc1cccc(N2CCN(CCOC(F)F)CC2)n1	ZINC000852134247	CD	On-Demand	Anodyne	DRD4	26	41
Fc1cccc(N2CCN(CCOC(F)F)CC2)n1	ZINC000852134247	CD	On-Demand	Anodyne	SLC6A3	32	42
Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852134292	CD	On-Demand	Anodyne	DRD2	15	46
Nc1cccc(CN2CCN(c3cc(F)ncn3)CC2)c1	ZINC000852134292	CD	On-Demand	Anodyne	DRD4	23	46
Fc1cc(N2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)ncn1	ZINC000852134306	GF	On-Demand	Anodyne	DRD2	18	46
Fc1cc(N2CCN(Cc3cccc(OCc4ccccn4)c3)CC2)ncn1	ZINC000852134306	GF	On-Demand	Anodyne	DRD4	31	45
Fc1cc(N2CCN(CCSc3cccc(Cl)c3)CC2)ncn1	ZINC000852134324	FG	On-Demand	Anodyne	HTR1A	18	42
Fc1cc(N2CCN(CCSc3cccc(Cl)c3)CC2)ncn1	ZINC000852134324	FG	On-Demand	Anodyne	DRD4	20	42
CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852134330	GD	On-Demand	Anodyne	GPR119	15	41
CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCN(c3cc(F)ncn3)CC2)C1	ZINC000852134331	GD	On-Demand	Anodyne	GPR119	15	41
Fc1cc(N2CCN(Cc3ccn(CCc4ccccc4)n3)CC2)ncn1	ZINC000852134340	FE	On-Demand	Anodyne	DRD4	24	40
CN1C[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CCC1=O	ZINC000852134369	GE	On-Demand	Anodyne	CCKAR	16	45
CN1C[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CCC1=O	ZINC000852134369	GE	On-Demand	Anodyne	CCKBR	15	45
CN1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CCC1=O	ZINC000852134370	GE	On-Demand	Anodyne	CCKAR	16	45
CN1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CCC1=O	ZINC000852134370	GE	On-Demand	Anodyne	CCKBR	15	45
Fc1cc(N2CCN(CCc3c(F)cccc3F)CC2)ncn1	ZINC000852134401	DE	On-Demand	Anodyne	ABCC1	81	39
Fc1cc(N2CCN(CCc3c(F)cccc3F)CC2)ncn1	ZINC000852134401	DE	On-Demand	Anodyne	ABCB1A	47	34
CC(=O)c1ccc(OC[C@@H](O)CN2CCC=C(c3cn(C(C)C)nn3)CC2)cc1	ZINC000852134427	GF	On-Demand	Anodyne	ACOX1	77	34
CC(=O)c1ccc(OC[C@@H](O)CN2CCC=C(c3cn(C(C)C)nn3)CC2)cc1	ZINC000852134427	GF	On-Demand	Anodyne	ABCB1	36	42
CC(=O)c1ccc(OC[C@H](O)CN2CCC=C(c3cn(C(C)C)nn3)CC2)cc1	ZINC000852134429	GF	On-Demand	Anodyne	ACOX1	77	34
CC(=O)c1ccc(OC[C@H](O)CN2CCC=C(c3cn(C(C)C)nn3)CC2)cc1	ZINC000852134429	GF	On-Demand	Anodyne	ABCB1	36	42
O=C(NCc1ncccn1)NCC1(c2cccs2)CCCCC1	ZINC000852134495	EG	On-Demand	Anodyne	NMBR	41	33
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCN(c3cccc(F)n3)CC2)C1	ZINC000852134498	GD	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCN(c3cccc(F)n3)CC2)C1	ZINC000852134499	GD	On-Demand	Anodyne	GPR119	24	40
CS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000852134506	JI	On-Demand	Anodyne	ABL1	15	63
Fc1cc(N2CCN(CCc3nsc4ccccc34)CC2)ccn1	ZINC000852134513	EG	On-Demand	Anodyne	HTR1A	38	43
Fc1cc(N2CCN(CCc3nsc4ccccc34)CC2)ccn1	ZINC000852134513	EG	On-Demand	Anodyne	DRD2	36	44
Fc1cc(N2CCN(CCc3nsc4ccccc34)CC2)ccn1	ZINC000852134513	EG	On-Demand	Anodyne	HTR2A	35	40
N#Cc1ccc(CCN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1	ZINC000852134546	FE	On-Demand	Mild	KCNJ1	24	48
O[C@@H]1CCCC[C@H]1N1CCN(c2cccc(F)n2)CC1	ZINC000852134570	CD	On-Demand	Anodyne	SLC18A3	61	54
N#Cc1ccc(CCN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1	ZINC000852134621	FE	On-Demand	Mild	KCNJ1	24	48
N#Cc1ccc(CCN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1	ZINC000852134622	FE	On-Demand	Mild	KCNJ1	24	48
N#Cc1ccc(CCN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1	ZINC000852134623	FE	On-Demand	Mild	KCNJ1	24	48
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	HTR1A	41	53
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	DRD2	33	45
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	DRD4	26	40
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	HTR2A	23	44
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	DRD3	32	45
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	HTR7	25	40
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	SIGMAR1	19	42
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	NPY1R	40	34
Fc1cccc(N2CCN(CCCC3CCC3)CC2)n1	ZINC000852134633	CF	On-Demand	Anodyne	EBP	24	42
O=C(N1C[C@H]2CCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1)C(F)(F)F	ZINC000852134671	GH	On-Demand	Anodyne	CCR5	22	40
O=C(N1C[C@H]2CCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1)C(F)(F)F	ZINC000852134671	GH	On-Demand	Anodyne	RBP4	62	37
O=C(N1C[C@@H]2CCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1)C(F)(F)F	ZINC000852134672	GH	On-Demand	Anodyne	CCR5	22	40
O=C(N1C[C@@H]2CCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@@H]2C1)C(F)(F)F	ZINC000852134672	GH	On-Demand	Anodyne	RBP4	62	37
O=C(N1C[C@H]2CCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@H]2C1)C(F)(F)F	ZINC000852134673	GH	On-Demand	Anodyne	CCR5	22	40
O=C(N1C[C@H]2CCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)C[C@H]2C1)C(F)(F)F	ZINC000852134673	GH	On-Demand	Anodyne	RBP4	62	37
O=C(N1C[C@@H]2CN(C[C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@H]2C1)C(F)(F)F	ZINC000852134674	GH	On-Demand	Anodyne	CCR5	22	40
O=C(N1C[C@@H]2CN(C[C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@H]2C1)C(F)(F)F	ZINC000852134674	GH	On-Demand	Anodyne	RBP4	62	37
Nc1cccc(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1	ZINC000852134681	EE	On-Demand	Anodyne	DRD4	21	44
Nc1cccc(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1	ZINC000852134681	EE	On-Demand	Anodyne	CCR2	16	41
Nc1cccc(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1	ZINC000852134682	EE	On-Demand	Anodyne	DRD4	21	44
Nc1cccc(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1	ZINC000852134682	EE	On-Demand	Anodyne	CCR2	16	41
Nc1cccc(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1	ZINC000852134683	EE	On-Demand	Anodyne	DRD4	21	44
Nc1cccc(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1	ZINC000852134683	EE	On-Demand	Anodyne	CCR2	16	41
Nc1cccc(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1	ZINC000852134684	EE	On-Demand	Anodyne	DRD4	21	44
Nc1cccc(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1	ZINC000852134684	EE	On-Demand	Anodyne	CCR2	16	41
O=C(N1C[C@@H]2CN(CC[C@H]3CCc4ccccc43)CC[C@H]2C1)C(F)(F)F	ZINC000852134791	FG	On-Demand	Anodyne	RBP4	58	36
O=C(N1C[C@@H]2CCN(CC[C@H]3CCc4ccccc43)C[C@@H]2C1)C(F)(F)F	ZINC000852134794	FG	On-Demand	Anodyne	RBP4	58	36
O=C(N1C[C@@H]2CN(CC[C@@H]3CCc4ccccc43)CC[C@H]2C1)C(F)(F)F	ZINC000852134796	FG	On-Demand	Anodyne	RBP4	58	36
O=C(N1C[C@@H]2CCN(CC[C@@H]3CCc4ccccc43)C[C@@H]2C1)C(F)(F)F	ZINC000852134797	FG	On-Demand	Anodyne	RBP4	58	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(c3cccc(F)c3)CC2)O1	ZINC000852134800	FC	On-Demand	Reactive	SOAT1	15	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(c3cccc(F)c3)CC2)O1	ZINC000852134801	FC	On-Demand	Reactive	SOAT1	15	42
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(Cl)c2)CC1	ZINC000852134831	EE	On-Demand	Anodyne	KCNA3	42	36
O=C(N1C[C@H]2CCN([C@@H]3CCCC[C@H]3O)C[C@@H]2C1)C(F)(F)F	ZINC000852134835	DD	On-Demand	Anodyne	SLC18A3	35	50
O=C(N1C[C@@H]2CCN([C@@H]3CCCC[C@H]3O)C[C@@H]2C1)C(F)(F)F	ZINC000852134838	DD	On-Demand	Anodyne	SLC18A3	35	50
O=C(N1C[C@@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@H]2C1)C(F)(F)F	ZINC000852134840	DD	On-Demand	Anodyne	SLC18A3	35	50
O=C(N1C[C@H]2CCN([C@@H]3CCCC[C@H]3O)C[C@H]2C1)C(F)(F)F	ZINC000852134842	DD	On-Demand	Anodyne	SLC18A3	35	50
N#Cc1ccc(CCN2CCN(c3cccc(F)n3)CC2)cc1	ZINC000852134848	DE	On-Demand	Mild	HTR1A	19	45
N#Cc1ccc(CCN2CCN(c3cccc(F)n3)CC2)cc1	ZINC000852134848	DE	On-Demand	Mild	DRD2	15	45
N#Cc1ccc(CCN2CCN(c3cccc(F)n3)CC2)cc1	ZINC000852134848	DE	On-Demand	Mild	DRD4	17	43
N#Cc1ccc(CCN2CCN(c3cccc(F)n3)CC2)cc1	ZINC000852134848	DE	On-Demand	Mild	ABCC1	48	39
N#Cc1ccc(CCN2CCN(c3cccc(F)n3)CC2)cc1	ZINC000852134848	DE	On-Demand	Mild	KCNJ1	57	61
N#Cc1ccc(CCN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1	ZINC000852134860	GF	On-Demand	Mild	KCNJ1	29	45
Cc1nc(CN2CCN(c3cccc(F)n3)CC2)co1	ZINC000852134880	CD	On-Demand	Anodyne	DRD4	19	40
O=C(NCC1(c2cccc(F)c2)CC1)N[C@H]1C=CCC1	ZINC000852134881	CF	On-Demand	Anodyne	KCNA3	42	39
O=C(NCC1(c2cccc(F)c2)CC1)N[C@@H]1C=CCC1	ZINC000852134882	CF	On-Demand	Anodyne	KCNA3	42	39
NC(=O)[C@@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134885	CD	On-Demand	Anodyne	CHRM2	33	48
NC(=O)[C@@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134885	CD	On-Demand	Anodyne	CHRM1	31	41
NC(=O)[C@@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134885	CD	On-Demand	Anodyne	CHRM3	52	48
NC(=O)[C@@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134885	CD	On-Demand	Anodyne	AMY2	49	33
NC(=O)[C@@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134885	CD	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134886	CD	On-Demand	Anodyne	CHRM2	33	48
NC(=O)[C@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134886	CD	On-Demand	Anodyne	CHRM1	31	41
NC(=O)[C@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134886	CD	On-Demand	Anodyne	CHRM3	52	48
NC(=O)[C@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134886	CD	On-Demand	Anodyne	AMY2	49	33
NC(=O)[C@](O)(CN1C[C@H]2CCCC[C@H]2C1)c1ccccc1	ZINC000852134886	CD	On-Demand	Anodyne	CYP2J2	46	33
Nc1cccc(CN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852134900	CE	On-Demand	Anodyne	DRD2	15	50
Nc1cccc(CN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852134900	CE	On-Demand	Anodyne	DRD4	28	43
Fc1cccc(N2CCN(Cc3nsc4ccccc34)CC2)n1	ZINC000852134913	EG	On-Demand	Anodyne	HTR1A	21	40
Fc1cccc(N2CCN(Cc3nsc4ccccc34)CC2)n1	ZINC000852134913	EG	On-Demand	Anodyne	DRD2	24	49
Nc1cccc(CN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1	ZINC000852134930	FE	On-Demand	Anodyne	DRD4	22	40
Nc1cccc(CN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1	ZINC000852134930	FE	On-Demand	Anodyne	HRH2	20	40
Nc1cccc(CN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1	ZINC000852134930	FE	On-Demand	Anodyne	SIGMAR1	22	41
CC(=O)c1[nH]c(CCN2CCN(c3cccc(F)n3)CC2)nc1C	ZINC000852134951	ED	On-Demand	Anodyne	HTR1A	25	48
CC(=O)c1[nH]c(CCN2CCN(c3cccc(F)n3)CC2)nc1C	ZINC000852134951	ED	On-Demand	Anodyne	DRD4	21	42
CC(=O)c1[nH]c(CCN2CCN(c3cccc(F)n3)CC2)nc1C	ZINC000852134951	ED	On-Demand	Anodyne	HTR2A	15	40
CN1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1=O	ZINC000852134959	CC	On-Demand	Reactive	F10	28	40
N#Cc1ccc(-c2cccc(CNC(=O)N3CCC(c4ccon4)CC3)c2)s1	ZINC000852134967	GI	On-Demand	Mild	ETHR	47	34
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccnc(F)c2)CC1	ZINC000852134985	FF	On-Demand	Anodyne	NPY2R	64	43
O[C@@H]1CCCC[C@H]1N1CCN(c2ccnc(F)c2)CC1	ZINC000852134997	CD	On-Demand	Anodyne	SLC18A3	47	56
CC(C)c1ccc(NC(=O)CN2CCC=C(c3cn(C(C)C)nn3)CC2)cc1	ZINC000852135006	GI	On-Demand	Anodyne	ACOX1	41	34
O[C@@H](CN1CCN(c2cccc(F)n2)CC1)c1ccccn1	ZINC000852135032	DD	On-Demand	Anodyne	DRD4	33	43
O[C@@H](CN1CCN(c2cccc(F)n2)CC1)c1ccccn1	ZINC000852135032	DD	On-Demand	Anodyne	EBP	22	40
O[C@@H](CN1CCN(c2cccc(F)n2)CC1)c1ccccn1	ZINC000852135032	DD	On-Demand	Anodyne	SORD	59	37
O[C@H](CN1CCN(c2cccc(F)n2)CC1)c1ccccn1	ZINC000852135033	DD	On-Demand	Anodyne	DRD4	33	43
O[C@H](CN1CCN(c2cccc(F)n2)CC1)c1ccccn1	ZINC000852135033	DD	On-Demand	Anodyne	EBP	22	40
O[C@H](CN1CCN(c2cccc(F)n2)CC1)c1ccccn1	ZINC000852135033	DD	On-Demand	Anodyne	SORD	59	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(c2cccc(F)c2)CC1	ZINC000852135094	GG	On-Demand	Clean	SOAT1	15	42
CN1CC[C@H](NC(=O)N[C@@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)C1=O	ZINC000852135113	GF	On-Demand	Anodyne	NPY1R	26	40
CN1CC[C@H](NC(=O)N[C@H]2CCc3cc(NC(=O)OC(C)(C)C)ccc32)C1=O	ZINC000852135114	GF	On-Demand	Anodyne	NPY1R	26	40
COc1ccc2c(CN3CCC=C(c4cn(C(C)C)nn4)CC3)cc(=O)oc2c1	ZINC000852135129	GH	On-Demand	Anodyne	CYP11B1	16	40
N#Cc1ccc(CCN2CCN(c3ccnc(F)c3)CC2)cc1	ZINC000852135139	DE	On-Demand	Mild	DRD2	16	43
N#Cc1ccc(CCN2CCN(c3ccnc(F)c3)CC2)cc1	ZINC000852135139	DE	On-Demand	Mild	DRD4	15	41
N#Cc1ccc(CCN2CCN(c3ccnc(F)c3)CC2)cc1	ZINC000852135139	DE	On-Demand	Mild	ABCC1	82	41
N#Cc1ccc(CCN2CCN(c3ccnc(F)c3)CC2)cc1	ZINC000852135139	DE	On-Demand	Mild	KCNJ1	54	60
Fc1cc(N2CCN(CCOC(F)F)CC2)ccn1	ZINC000852135199	CD	On-Demand	Anodyne	SLC6A3	26	41
Fc1cc(N2CCN(Cc3cnc4ccccc4n3)CC2)ccn1	ZINC000852135204	DE	On-Demand	Anodyne	DRD4	40	38
O[C@@H]1CCC[C@H]1N1CCN(c2ccnc(F)c2)CC1	ZINC000852135208	CD	On-Demand	Anodyne	SLC18A3	45	52
Fc1cccc(N2CCN(CCc3nsc4ccccc34)CC2)n1	ZINC000852135212	EG	On-Demand	Anodyne	HTR1A	31	43
Fc1cccc(N2CCN(CCc3nsc4ccccc34)CC2)n1	ZINC000852135212	EG	On-Demand	Anodyne	DRD2	31	44
Fc1cc(N2CCN(Cc3nsc4ccccc34)CC2)ccn1	ZINC000852135219	EG	On-Demand	Anodyne	HTR1A	24	40
Cc1nc(CN2CCN(c3cccc(F)n3)CC2)c(C)o1	ZINC000852135220	CE	On-Demand	Anodyne	DRD4	20	40
O=C(CN1CCN(c2cccc(F)n2)CC1)Nc1ccc(Cl)nc1	ZINC000852135237	EE	On-Demand	Anodyne	DRD4	20	44
O=C(CN1CCN(c2cccc(F)n2)CC1)Nc1ccc(Cl)nc1	ZINC000852135237	EE	On-Demand	Anodyne	SLC27A1	74	46
N#C[C@@H](c1ccccc1)N1CCN(c2ccnc(F)c2)CC1	ZINC000852135258	CF	On-Demand	Mild	PTAFR	37	44
N#C[C@H](c1ccccc1)N1CCN(c2ccnc(F)c2)CC1	ZINC000852135262	CF	On-Demand	Mild	PTAFR	37	44
COC(=O)c1ccc2nc(CN3CCN(c4cccc(F)n4)CC3)[nH]c2c1	ZINC000852135269	FE	On-Demand	Anodyne	DRD2	18	46
COC(=O)c1ccc2nc(CN3CCN(c4cccc(F)n4)CC3)[nH]c2c1	ZINC000852135269	FE	On-Demand	Anodyne	DRD4	40	31
N#C[C@@H](c1ccccc1)N1CCN(c2cccc(F)n2)CC1	ZINC000852135271	CF	On-Demand	Mild	PTAFR	34	45
N#C[C@H](c1ccccc1)N1CCN(c2cccc(F)n2)CC1	ZINC000852135272	CF	On-Demand	Mild	PTAFR	34	45
C#CCOCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000852135283	CE	On-Demand	Mild	SLC6A1	47	38
C#CCOCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000852135283	CE	On-Demand	Mild	SLC27A4	42	31
C#CCOCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000852135284	CE	On-Demand	Mild	SLC6A1	47	38
C#CCOCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000852135284	CE	On-Demand	Mild	SLC27A4	42	31
FC1(Cc2ccc(Cl)cc2)CCN(Cc2cnon2)CC1	ZINC000852135294	DG	On-Demand	Anodyne	PA	21	40
CN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852135306	FE	On-Demand	Anodyne	NPY1R	37	41
CN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852135306	FE	On-Demand	Anodyne	CCKAR	34	48
CN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852135306	FE	On-Demand	Anodyne	CCKBR	40	48
O=C(CN1CCN(c2ccnc(F)c2)CC1)Nc1cnccn1	ZINC000852135317	DC	On-Demand	Anodyne	CHEK1	44	34
O=C(CN1CCN(c2ccnc(F)c2)CC1)Nc1cnccn1	ZINC000852135317	DC	On-Demand	Anodyne	KARS	52	35
O=C(CN1CCN(c2ccnc(F)c2)CC1)Nc1cnccn1	ZINC000852135317	DC	On-Demand	Anodyne	STAT6	32	40
O=C(CN1CCN(c2ccnc(F)c2)CC1)Nc1cnccn1	ZINC000852135317	DC	On-Demand	Anodyne	SLC27A1	59	41
Fc1cc(N2CCN(Cc3cccc(F)n3)CC2)ccn1	ZINC000852135326	CE	On-Demand	Anodyne	DRD4	41	38
Cn1ncc(C2CC2)c1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000852135384	GH	On-Demand	Mild	CTSV	42	34
NC(=O)[C@@](O)(CN1CCN(c2ccnc(F)c2)CC1)c1ccccc1	ZINC000852135397	EC	On-Demand	Anodyne	HTR1A	23	41
NC(=O)[C@](O)(CN1CCN(c2ccnc(F)c2)CC1)c1ccccc1	ZINC000852135398	EC	On-Demand	Anodyne	HTR1A	23	41
NC(=O)[C@](O)(CN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1ccccc1	ZINC000852135417	GC	On-Demand	Anodyne	RBP4	54	34
NC(=O)[C@](O)(CN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1ccccc1	ZINC000852135417	GC	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)c1ccccc1	ZINC000852135418	GC	On-Demand	Anodyne	RBP4	54	34
NC(=O)[C@](O)(CN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)c1ccccc1	ZINC000852135418	GC	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)c1ccccc1	ZINC000852135419	GC	On-Demand	Anodyne	RBP4	54	34
NC(=O)[C@](O)(CN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)c1ccccc1	ZINC000852135419	GC	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1ccccc1	ZINC000852135420	GC	On-Demand	Anodyne	RBP4	54	34
NC(=O)[C@](O)(CN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)c1ccccc1	ZINC000852135420	GC	On-Demand	Anodyne	CYP2J2	45	32
O=C(NCC1(c2cccs2)CCCCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852135429	GH	On-Demand	Anodyne	SMO	17	41
O=C(N1C[C@H]2CCN([C@@H]3CCC[C@H]3O)C[C@@H]2C1)C(F)(F)F	ZINC000852135438	DD	On-Demand	Anodyne	SLC18A3	30	46
O=C(N1C[C@@H]2CCN([C@@H]3CCC[C@H]3O)C[C@@H]2C1)C(F)(F)F	ZINC000852135439	DD	On-Demand	Anodyne	SLC18A3	30	46
O=C(N1C[C@@H]2CN([C@@H]3CCC[C@H]3O)CC[C@H]2C1)C(F)(F)F	ZINC000852135440	DD	On-Demand	Anodyne	SLC18A3	30	46
O=C(N1C[C@H]2CCN([C@@H]3CCC[C@H]3O)C[C@H]2C1)C(F)(F)F	ZINC000852135441	DD	On-Demand	Anodyne	SLC18A3	30	46
O=C(N1C[C@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852135507	EF	On-Demand	Anodyne	RBP4	59	34
O=C(N1C[C@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852135507	EF	On-Demand	Anodyne	SMO	29	40
O=C(N1C[C@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852135509	EF	On-Demand	Anodyne	RBP4	59	34
O=C(N1C[C@H]2CCN([C@@H]3C[C@@H]3c3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852135509	EF	On-Demand	Anodyne	SMO	29	40
O=C1Nc2ccccc2S[C@H]1CCN1CCN(c2ccnc(F)c2)CC1	ZINC000852135523	FF	On-Demand	Anodyne	HTR1A	22	41
O=C1Nc2ccccc2S[C@H]1CCN1CCN(c2ccnc(F)c2)CC1	ZINC000852135523	FF	On-Demand	Anodyne	DRD2	16	41
O=C1Nc2ccccc2S[C@H]1CCN1CCN(c2ccnc(F)c2)CC1	ZINC000852135523	FF	On-Demand	Anodyne	HTR7	25	43
O=C1Nc2ccccc2S[C@@H]1CCN1CCN(c2ccnc(F)c2)CC1	ZINC000852135526	FF	On-Demand	Anodyne	HTR1A	22	41
O=C1Nc2ccccc2S[C@@H]1CCN1CCN(c2ccnc(F)c2)CC1	ZINC000852135526	FF	On-Demand	Anodyne	DRD2	16	41
O=C1Nc2ccccc2S[C@@H]1CCN1CCN(c2ccnc(F)c2)CC1	ZINC000852135526	FF	On-Demand	Anodyne	HTR7	25	43
COC[C@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CCOCC1	ZINC000852135560	GH	On-Demand	Mild	CTSV	40	32
COC[C@@H](NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CCOCC1	ZINC000852135563	GH	On-Demand	Mild	CTSV	40	32
O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1ccc(N2CCCCC2)nc1	ZINC000852135586	IJ	On-Demand	Anodyne	DGAT1	31	42
Fc1cc(N2CCN(CCCC3CCC3)CC2)ccn1	ZINC000852135606	CF	On-Demand	Anodyne	HTR1A	43	49
Fc1cc(N2CCN(CCCC3CCC3)CC2)ccn1	ZINC000852135606	CF	On-Demand	Anodyne	DRD2	28	49
Fc1cc(N2CCN(CCCC3CCC3)CC2)ccn1	ZINC000852135606	CF	On-Demand	Anodyne	DRD3	26	49
Fc1cc(N2CCN(CCCC3CCC3)CC2)ccn1	ZINC000852135606	CF	On-Demand	Anodyne	HTR7	41	38
C=C[C@H](CO)NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852135636	ED	On-Demand	Mild	CTSK	18	43
C#CCOCCN1CCN(c2cccc(F)n2)CC1	ZINC000852135678	CC	On-Demand	Mild	HTR1A	22	48
C#CCOCCN1CCN(c2cccc(F)n2)CC1	ZINC000852135678	CC	On-Demand	Mild	DRD2	17	43
C#CCOCCN1CCN(c2cccc(F)n2)CC1	ZINC000852135678	CC	On-Demand	Mild	DRD4	22	41
C#CCOCCN1CCN(c2cccc(F)n2)CC1	ZINC000852135678	CC	On-Demand	Mild	DRD3	15	43
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000852135679	GG	On-Demand	Bother	SLC27A4	51	36
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000852135680	GG	On-Demand	Bother	SLC27A4	51	36
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000852135682	GG	On-Demand	Bother	SLC27A4	51	36
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000852135684	GG	On-Demand	Bother	SLC27A4	51	36
COCCN(CCF)C(=O)NCC1(c2cccc(F)c2)CC1	ZINC000852135686	DE	On-Demand	Anodyne	KCNA3	43	38
CCO[C@@H]1C[C@@H](NC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000852135842	FF	On-Demand	Anodyne	EPHX2	18	40
CCOC(=O)[C@@H]1CCCC[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852135854	ED	On-Demand	Anodyne	AMY2	59	35
CCOC(=O)[C@@H]1CCCC[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852135856	ED	On-Demand	Anodyne	AMY2	59	35
CC(C)(C)OC(=O)NC1CCC(NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852135865	GG	On-Demand	Anodyne	SMO	23	40
COC[C@@H](CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)OC	ZINC000852135907	FG	On-Demand	Mild	CTSV	40	31
Fc1cc(N2CCN(CCC3CCC3)CC2)ccn1	ZINC000852135921	CF	On-Demand	Anodyne	HTR1A	26	50
Fc1cc(N2CCN(CCC3CCC3)CC2)ccn1	ZINC000852135921	CF	On-Demand	Anodyne	DRD2	24	50
Fc1cc(N2CCN(CCC3CCC3)CC2)ccn1	ZINC000852135921	CF	On-Demand	Anodyne	DRD4	17	42
Fc1cc(N2CCN(CCC3CCC3)CC2)ccn1	ZINC000852135921	CF	On-Demand	Anodyne	DRD3	24	50
COc1cccc(SCCN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852135962	EG	On-Demand	Anodyne	HTR1A	34	51
COc1cccc(SCCN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852135962	EG	On-Demand	Anodyne	DRD2	26	51
COc1cccc(SCCN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852135962	EG	On-Demand	Anodyne	DRD4	47	38
COc1cccc(SCCN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852135962	EG	On-Demand	Anodyne	HTR2A	23	51
COc1cccc(SCCN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852135962	EG	On-Demand	Anodyne	DRD3	23	43
COc1cccc(SCCN2CCN(c3ccnc(F)c3)CC2)c1	ZINC000852135962	EG	On-Demand	Anodyne	HTR7	20	44
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)O1	ZINC000852135967	GB	On-Demand	Reactive	SIGMAR1	27	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)O1	ZINC000852135967	GB	On-Demand	Reactive	BIRC8	45	34
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCN(C)C2=O)O1	ZINC000852135969	GB	On-Demand	Reactive	SIGMAR1	27	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCN(C)C2=O)O1	ZINC000852135969	GB	On-Demand	Reactive	BIRC8	45	34
Fc1cccc(CN2CCN(c3cccc(F)n3)CC2)n1	ZINC000852135977	CE	On-Demand	Anodyne	DRD4	34	40
COC(=O)N(C)CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000852135994	FF	On-Demand	Mild	CTSV	40	32
COC(=O)N(C)CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000852135994	FF	On-Demand	Mild	HSD17B2	37	42
CN(CC1=CCSC1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000852136033	FI	On-Demand	Mild	HSD17B2	35	41
NC(=O)[C@](O)(CN1CCC(F)(Cc2ccc(Cl)cc2)CC1)c1ccccc1	ZINC000852136081	GG	On-Demand	Anodyne	PA	29	42
NC(=O)[C@@](O)(CN1CCC(F)(Cc2ccc(Cl)cc2)CC1)c1ccccc1	ZINC000852136083	GG	On-Demand	Anodyne	PA	29	42
O=C(N[C@@H]1CCO[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1)C(F)(F)F	ZINC000852136106	FD	On-Demand	Anodyne	SLC18A3	26	43
Fc1cccc(N2CCN(CCOCc3ccccc3)CC2)n1	ZINC000852136145	DF	On-Demand	Anodyne	HTR1A	36	50
Fc1cccc(N2CCN(CCOCc3ccccc3)CC2)n1	ZINC000852136145	DF	On-Demand	Anodyne	DRD2	34	50
Fc1cccc(N2CCN(CCOCc3ccccc3)CC2)n1	ZINC000852136145	DF	On-Demand	Anodyne	DRD4	34	44
Fc1cccc(N2CCN(CCOCc3ccccc3)CC2)n1	ZINC000852136145	DF	On-Demand	Anodyne	HTR2A	22	45
Fc1cccc(N2CCN(CCOCc3ccccc3)CC2)n1	ZINC000852136145	DF	On-Demand	Anodyne	DRD3	28	46
Fc1cccc(N2CCN(CCOCc3ccccc3)CC2)n1	ZINC000852136145	DF	On-Demand	Anodyne	HTR7	26	44
Fc1cccc(N2CCN(CCOCc3ccccc3)CC2)n1	ZINC000852136145	DF	On-Demand	Anodyne	SIGMAR1	26	45
Fc1ccc(OC(F)F)c(CN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852136216	FG	On-Demand	Anodyne	DRD4	18	40
COC(=O)[C@@H]1CCCC[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852136238	DC	On-Demand	Anodyne	AMY2	59	34
COC(=O)[C@@H]1CCCC[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852136240	DC	On-Demand	Anodyne	AMY2	59	34
COCCN(CCF)C(=O)NCC1(c2cccc(Cl)c2)CC1	ZINC000852136283	EF	On-Demand	Anodyne	KCNA3	42	36
O=C(CN1CCN(c2cccc(F)n2)CC1)Nc1cnccn1	ZINC000852136306	DC	On-Demand	Anodyne	KARS	55	38
O=C(CN1CCN(c2cccc(F)n2)CC1)Nc1cnccn1	ZINC000852136306	DC	On-Demand	Anodyne	SLC27A1	72	44
CCC(C)(C)[C@@H](C)NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852136334	FH	On-Demand	Anodyne	CTSK	18	42
COc1cccc(SCCN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852136341	EG	On-Demand	Anodyne	HTR1A	29	46
COc1cccc(SCCN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852136341	EG	On-Demand	Anodyne	DRD2	20	44
COc1cccc(SCCN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852136341	EG	On-Demand	Anodyne	DRD4	46	35
COc1cccc(SCCN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852136341	EG	On-Demand	Anodyne	HTR2A	15	44
COc1cccc(SCCN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852136341	EG	On-Demand	Anodyne	DRD3	22	40
COc1cccc(SCCN2CCN(c3cccc(F)n3)CC2)c1	ZINC000852136341	EG	On-Demand	Anodyne	HTR7	17	40
O=C(N1C[C@@H]2CN(C[C@H](O)c3ccccn3)CC[C@H]2C1)C(F)(F)F	ZINC000852136351	ED	On-Demand	Anodyne	RBP4	40	30
O=C(N1C[C@@H]2CCN(C[C@@H](O)c3ccccn3)C[C@@H]2C1)C(F)(F)F	ZINC000852136352	ED	On-Demand	Anodyne	RBP4	40	30
O=C(N1C[C@@H]2CCN(C[C@H](O)c3ccccn3)C[C@@H]2C1)C(F)(F)F	ZINC000852136353	ED	On-Demand	Anodyne	RBP4	40	30
O=C(N1C[C@@H]2CN(C[C@@H](O)c3ccccn3)CC[C@H]2C1)C(F)(F)F	ZINC000852136354	ED	On-Demand	Anodyne	RBP4	40	30
C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1	ZINC000852136411	JH	On-Demand	Mild	ABL1	15	58
CC[C@@H](C)CCNC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852136474	EH	On-Demand	Anodyne	CTSK	18	41
Fc1cccc(N2CCN(CCC3CCC3)CC2)n1	ZINC000852136491	CF	On-Demand	Anodyne	HTR1A	20	49
Fc1cccc(N2CCN(CCC3CCC3)CC2)n1	ZINC000852136491	CF	On-Demand	Anodyne	DRD2	23	47
Fc1cccc(N2CCN(CCC3CCC3)CC2)n1	ZINC000852136491	CF	On-Demand	Anodyne	DRD4	24	42
Fc1cccc(N2CCN(CCC3CCC3)CC2)n1	ZINC000852136491	CF	On-Demand	Anodyne	DRD3	26	47
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cccc(F)n2)CC1	ZINC000852136502	FF	On-Demand	Anodyne	NPY2R	60	43
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852136508	FF	On-Demand	Anodyne	SLC6A1	62	39
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852136508	FF	On-Demand	Anodyne	UGCG	64	36
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852136508	FF	On-Demand	Anodyne	GBA	28	41
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852136508	FF	On-Demand	Anodyne	GBA2	76	41
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852136508	FF	On-Demand	Anodyne	RBP4	57	33
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852136508	FF	On-Demand	Anodyne	CYP2J2	43	31
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@H]2C1)C(F)(F)F	ZINC000852136508	FF	On-Demand	Anodyne	LIPG	22	42
O=C(N1C[C@@H]2CN(CCOCc3ccccc3)CC[C@H]2C1)C(F)(F)F	ZINC000852136510	FF	On-Demand	Anodyne	SLC6A1	62	39
O=C(N1C[C@@H]2CN(CCOCc3ccccc3)CC[C@H]2C1)C(F)(F)F	ZINC000852136510	FF	On-Demand	Anodyne	UGCG	64	36
O=C(N1C[C@@H]2CN(CCOCc3ccccc3)CC[C@H]2C1)C(F)(F)F	ZINC000852136510	FF	On-Demand	Anodyne	GBA	28	41
O=C(N1C[C@@H]2CN(CCOCc3ccccc3)CC[C@H]2C1)C(F)(F)F	ZINC000852136510	FF	On-Demand	Anodyne	GBA2	76	41
O=C(N1C[C@@H]2CN(CCOCc3ccccc3)CC[C@H]2C1)C(F)(F)F	ZINC000852136510	FF	On-Demand	Anodyne	RBP4	57	33
O=C(N1C[C@@H]2CN(CCOCc3ccccc3)CC[C@H]2C1)C(F)(F)F	ZINC000852136510	FF	On-Demand	Anodyne	CYP2J2	43	31
O=C(N1C[C@@H]2CN(CCOCc3ccccc3)CC[C@H]2C1)C(F)(F)F	ZINC000852136510	FF	On-Demand	Anodyne	LIPG	22	42
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136513	FF	On-Demand	Anodyne	SLC6A1	62	39
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136513	FF	On-Demand	Anodyne	UGCG	64	36
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136513	FF	On-Demand	Anodyne	GBA	28	41
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136513	FF	On-Demand	Anodyne	GBA2	76	41
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136513	FF	On-Demand	Anodyne	RBP4	57	33
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136513	FF	On-Demand	Anodyne	CYP2J2	43	31
O=C(N1C[C@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136513	FF	On-Demand	Anodyne	LIPG	22	42
O=C(N1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136515	FF	On-Demand	Anodyne	SLC6A1	62	39
O=C(N1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136515	FF	On-Demand	Anodyne	UGCG	64	36
O=C(N1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136515	FF	On-Demand	Anodyne	GBA	28	41
O=C(N1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136515	FF	On-Demand	Anodyne	GBA2	76	41
O=C(N1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136515	FF	On-Demand	Anodyne	RBP4	57	33
O=C(N1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136515	FF	On-Demand	Anodyne	CYP2J2	43	31
O=C(N1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2C1)C(F)(F)F	ZINC000852136515	FF	On-Demand	Anodyne	LIPG	22	42
NC(=O)[C@](O)(CN1CC[C@@H](c2cccc(Br)c2)C1)c1ccccc1	ZINC000852136549	GF	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccc(Br)c2)C1)c1ccccc1	ZINC000852136551	GF	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@H](c2cccc(Br)c2)C1)c1ccccc1	ZINC000852136552	GF	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H](c2cccc(Br)c2)C1)c1ccccc1	ZINC000852136553	GF	On-Demand	Anodyne	CYP2J2	44	31
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(F)c2)CC1	ZINC000852136563	DD	On-Demand	Anodyne	KCNA3	46	38
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(F)c2)CC1	ZINC000852136563	DD	On-Demand	Anodyne	SOAT1	15	43
O=C(NCc1ccc(N2CCCNC2=O)cc1)NCC1(c2cccc(F)c2)CC1	ZINC000852136572	GG	On-Demand	Anodyne	PLD2	43	33
N#C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1	ZINC000852136576	EF	On-Demand	Mild	PTAFR	32	41
N#C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1	ZINC000852136576	EF	On-Demand	Mild	RBP4	42	34
N#C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1	ZINC000852136577	EF	On-Demand	Mild	PTAFR	32	41
N#C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1	ZINC000852136577	EF	On-Demand	Mild	RBP4	42	34
N#C[C@H](c1ccccc1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1	ZINC000852136578	EF	On-Demand	Mild	PTAFR	32	41
N#C[C@H](c1ccccc1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1	ZINC000852136578	EF	On-Demand	Mild	RBP4	42	34
N#C[C@H](c1ccccc1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1	ZINC000852136579	EF	On-Demand	Mild	PTAFR	32	41
N#C[C@H](c1ccccc1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1	ZINC000852136579	EF	On-Demand	Mild	RBP4	42	34
O=C(NCc1nc(C(F)(F)F)cs1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852136636	GG	On-Demand	Anodyne	TRPV1	57	33
O=C(NCc1nc(C(F)(F)F)cs1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852136638	GG	On-Demand	Anodyne	TRPV1	57	33
C#CCSCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852136649	ED	On-Demand	Mild	ACHE	21	45
C#CCSCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852136649	ED	On-Demand	Mild	SIGMAR1	19	42
C#CCSCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852136649	ED	On-Demand	Mild	CACNA1I	58	39
CCCCN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCCC[C@H]1OC	ZINC000852136674	EE	On-Demand	Anodyne	AMY2	64	37
CCCCN(C[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCCC[C@H]1OC	ZINC000852136676	EE	On-Demand	Anodyne	AMY2	64	37
C#CCSCCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852136824	DG	On-Demand	Mild	DNAE	56	32
C#CCSCCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852136840	DE	On-Demand	Mild	TNKS	42	32
C#CCSCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852136841	DE	On-Demand	Mild	DRD4	42	32
C#CCSCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852136841	DE	On-Demand	Mild	DRD5	15	40
CNS(=O)(=O)c1ccc(CN2CCC(C#N)(C(=O)OC)CC2)cc1	ZINC000852136893	FC	On-Demand	Mild	MMP13	31	47
CNS(=O)(=O)c1ccc(CN2CCC(C#N)(C(=O)OC)CC2)cc1	ZINC000852136893	FC	On-Demand	Mild	ADAM17	26	47
CNS(=O)(=O)c1ccc(CN2CCC(C#N)(C(=O)OC)CC2)cc1	ZINC000852136893	FC	On-Demand	Mild	MMP9	21	47
COc1ccc2c(c1)CN(CCOC(F)F)CCO2	ZINC000852136925	CE	On-Demand	Anodyne	DRD5	16	41
C#CCSCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852136952	EF	On-Demand	Mild	TRPM8	24	49
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	MME	20	41
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	CASP3	17	45
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	KLK3	76	35
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	CTSB	59	41
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	PAPA1_CARPA	74	35
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	CYSP_TRYCR	52	47
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	CTSK	31	44
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	CAPNS1	62	35
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	HLA-DRB1	42	35
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	MMP11	64	35
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	CTSS	15	40
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	CAPN1	73	42
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	CAPN2	117	45
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	TPSAB1	23	40
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	NPR	69	34
C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000852136985	JJ	On-Demand	Anodyne	PSMB5	40	37
C#CCSCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852137002	DD	On-Demand	Mild	SCN2A	18	43
C#CCSCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852137002	DD	On-Demand	Mild	SCN10A	19	43
CC[C@@H](NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1	ZINC000852137150	EG	On-Demand	Anodyne	CTSK	16	44
CNS(=O)(=O)c1ccc(CN2CCOc3ccc(OC)cc3C2)cc1	ZINC000852137174	FD	On-Demand	Anodyne	BMP1	69	40
CNS(=O)(=O)c1ccc(CN2CCOc3ccc(OC)cc3C2)cc1	ZINC000852137174	FD	On-Demand	Anodyne	MMP13	35	40
CNS(=O)(=O)c1ccc(CN2CCOc3ccc(OC)cc3C2)cc1	ZINC000852137174	FD	On-Demand	Anodyne	ADAM17	16	40
CNS(=O)(=O)c1ccc(CN2CCOc3ccc(OC)cc3C2)cc1	ZINC000852137174	FD	On-Demand	Anodyne	MMP9	29	40
CNS(=O)(=O)c1ccc(CN2CCOc3ccc(OC)cc3C2)cc1	ZINC000852137174	FD	On-Demand	Anodyne	MMP1	27	40
CNS(=O)(=O)c1ccc(CN2CCOc3ccc(OC)cc3C2)cc1	ZINC000852137174	FD	On-Demand	Anodyne	NOD2	40	40
COc1ccc2c(c1)CN(Cc1cccc(N)c1)CCO2	ZINC000852137214	CF	On-Demand	Anodyne	SIGMAR1	20	47
COc1ccc2c(c1)CN(CCOCc1ccccc1)CCO2	ZINC000852137262	DG	On-Demand	Anodyne	DRD5	16	42
COc1ccc2c(c1)CN(CCOCc1ccccc1)CCO2	ZINC000852137262	DG	On-Demand	Anodyne	SIGMAR1	28	42
COc1ccc2c(c1)CN(CCC(OC)OC)CCO2	ZINC000852137278	CD	On-Demand	Anodyne	DRD5	17	43
COc1ccc2c(c1)CN(CCc1ccc(C#N)cc1)CCO2	ZINC000852137316	DG	On-Demand	Mild	SIGMAR1	15	44
COc1ccc2c(c1)CN(CCc1ccc(C#N)cc1)CCO2	ZINC000852137316	DG	On-Demand	Mild	ABCB1	15	45
COc1ccc2c(c1)CN(CCc1ccc(C#N)cc1)CCO2	ZINC000852137316	DG	On-Demand	Mild	KCNJ1	39	40
C#CCSCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852137469	DD	On-Demand	Mild	PYGL	33	45
C#CCSCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852137469	DD	On-Demand	Mild	PYGM	30	45
C#CCSCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852137470	DD	On-Demand	Mild	PYGL	33	45
C#CCSCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852137470	DD	On-Demand	Mild	PYGM	30	45
CCOP(=O)(OCC)[C@H](O)CN1CCOc2ccc(OC)cc2C1	ZINC000852137599	FE	On-Demand	Anodyne	ADAM9	46	35
CCOP(=O)(OCC)[C@@H](O)CN1CCOc2ccc(OC)cc2C1	ZINC000852137600	FE	On-Demand	Anodyne	ADAM9	46	35
COc1ccc2c(c1)CN(C[C@H]1C[C@@H]3C[C@@H]3C1)CCO2	ZINC000852137608	CF	On-Demand	Anodyne	PKM	18	44
COc1ccc2c(c1)CN(CC1C[C@H]3C[C@@H]3C1)CCO2	ZINC000852137609	CF	On-Demand	Anodyne	PKM	18	44
COc1ccc2c(c1)CN(CC1C[C@@H]3C[C@H]3C1)CCO2	ZINC000852137610	CF	On-Demand	Anodyne	PKM	18	44
COc1ccc2c(c1)CN(CCN1C[C@H](C)O[C@H](C)C1)CCO2	ZINC000852137622	DD	On-Demand	Anodyne	DRD5	15	42
COc1ccc2c(c1)CN(CCN1C[C@H](C)O[C@@H](C)C1)CCO2	ZINC000852137623	DD	On-Demand	Anodyne	DRD5	15	42
COc1ccc2c(c1)CN(CCN1C[C@@H](C)O[C@H](C)C1)CCO2	ZINC000852137624	DD	On-Demand	Anodyne	DRD5	15	42
C#CCSCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852137670	EF	On-Demand	Mild	DRD4	43	33
C#CCSCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852137671	EF	On-Demand	Mild	DRD4	43	33
COc1ccc2c(c1)CN(CCCC(=O)NCC(C)C)CCO2	ZINC000852137678	DE	On-Demand	Anodyne	HTR7	30	40
COc1ccc2c(c1)CN(CCCC(=O)NCC(C)C)CCO2	ZINC000852137678	DE	On-Demand	Anodyne	BMP1	55	43
COc1ccc2c(c1)CN(CCCC(=O)NCC(C)C)CCO2	ZINC000852137678	DE	On-Demand	Anodyne	MTNR1A	40	41
COc1ccc2c(c1)CN(CCCC(=O)NCC(C)C)CCO2	ZINC000852137678	DE	On-Demand	Anodyne	MTNR1B	39	41
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)N1CCO	ZINC000852137750	DB	On-Demand	Anodyne	CHRM2	19	40
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)N1CCO	ZINC000852137750	DB	On-Demand	Anodyne	CHRM3	32	40
C#CCSCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852137799	FE	On-Demand	Mild	SSTR3	30	43
COc1ccc2c(c1)CN(CCN1C(=O)CN(C)C1=O)CCO2	ZINC000852137862	DC	On-Demand	Anodyne	DRD5	16	42
C=CCOCCCNC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000852137917	DE	On-Demand	Mild	HRH2	15	41
Cc1ccncc1CCNC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000852137920	EF	On-Demand	Clean	NAMPT	63	41
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852137943	GG	On-Demand	Clean	SCN2A	19	47
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852137943	GG	On-Demand	Clean	SCN10A	21	47
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccnc1N1CCCC1	ZINC000852137943	GG	On-Demand	Clean	NAMPT	42	43
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852138030	FG	On-Demand	Clean	SLC6A5	17	41
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852138031	FG	On-Demand	Clean	SLC6A5	17	41
COCC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000852138038	GF	On-Demand	Anodyne	TACR1	15	42
COCC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000852138038	GF	On-Demand	Anodyne	PDS	44	38
COCC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000852138039	GF	On-Demand	Anodyne	TACR1	15	42
COCC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000852138039	GF	On-Demand	Anodyne	PDS	44	38
COCC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000852138040	GF	On-Demand	Anodyne	TACR1	15	42
COCC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000852138040	GF	On-Demand	Anodyne	PDS	44	38
COCC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000852138041	GF	On-Demand	Anodyne	TACR1	15	42
COCC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000852138041	GF	On-Demand	Anodyne	PDS	44	38
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2nccnc2C1	ZINC000852138058	EE	On-Demand	Clean	NAMPT	30	47
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852138077	FG	On-Demand	Clean	EPHX2	34	43
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852138078	FF	On-Demand	Clean	CCR3	70	37
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852138079	FF	On-Demand	Clean	CCR3	70	37
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852138091	GF	On-Demand	Clean	NAMPT	19	41
CC[C@H]1CCC[C@@H](NC(=O)N2CCC(NC(=O)OC)CC2)C1	ZINC000852138099	DE	On-Demand	Anodyne	EPHX2	18	41
CC[C@H]1CCC[C@H](NC(=O)N2CCC(NC(=O)OC)CC2)C1	ZINC000852138100	DE	On-Demand	Anodyne	EPHX2	18	41
CC[C@@H]1CCC[C@H](NC(=O)N2CCC(NC(=O)OC)CC2)C1	ZINC000852138101	DE	On-Demand	Anodyne	EPHX2	18	41
CC[C@@H]1CCC[C@@H](NC(=O)N2CCC(NC(=O)OC)CC2)C1	ZINC000852138102	DE	On-Demand	Anodyne	EPHX2	18	41
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](C2CCC2)C1	ZINC000852138108	EH	On-Demand	Clean	NAMPT	22	42
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852138109	EH	On-Demand	Clean	NAMPT	22	42
NC(=O)[C@H]1CCCN1CC=C(Cl)Cl	ZINC000852138122	BD	On-Demand	Anodyne	HSD11B1	41	32
NC(=O)c1cccc2c1CCN(C(=O)NCc1ccc(N3CC=CC3)cc1)C2	ZINC000852138150	GE	On-Demand	Clean	NAMPT	23	42
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852138170	FH	On-Demand	Clean	NPSR1	25	43
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852138171	FH	On-Demand	Clean	NPSR1	25	43
NC(=O)[C@H]1CCCN1CCn1cnc(Br)n1	ZINC000852138197	CB	On-Demand	Anodyne	TRHR	42	33
Cn1ncc(CN2CCC[C@@H]2C(N)=O)n1	ZINC000852138220	BB	On-Demand	Anodyne	TRHR	54	34
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@H]1C(N)=O	ZINC000852138233	CC	On-Demand	Anodyne	TPP2	15	41
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H]1C(N)=O	ZINC000852138234	CC	On-Demand	Anodyne	TPP2	15	41
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCOc2ccc(O)cc2C1	ZINC000852138245	FF	On-Demand	Clean	NAMPT	23	40
NC(=O)[C@H]1CCCN1Cc1cccc(F)n1	ZINC000852138288	BC	On-Demand	Anodyne	TRHR	40	30
NC(=O)[C@H]1CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852138291	CB	On-Demand	Anodyne	PREP	68	34
NC(=O)[C@H]1CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852138291	CB	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@H]1CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852138291	CB	On-Demand	Anodyne	CYP2J2	43	31
NC(=O)[C@H]1CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852138292	CB	On-Demand	Anodyne	PREP	68	34
NC(=O)[C@H]1CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852138292	CB	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@H]1CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852138292	CB	On-Demand	Anodyne	CYP2J2	43	31
O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCC2(CC1)CC2(F)F	ZINC000852138293	FH	On-Demand	Clean	EPHX2	15	43
C[C@H](NC(=O)NCCC1SCCS1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138379	GF	On-Demand	Anodyne	DRD4	21	41
C[C@H](NC(=O)NCCC1SCCS1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138379	GF	On-Demand	Anodyne	ACHE	17	42
C[C@@H](NC(=O)NCCC1SCCS1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138380	GF	On-Demand	Anodyne	DRD4	21	41
C[C@@H](NC(=O)NCCC1SCCS1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138380	GF	On-Demand	Anodyne	ACHE	17	42
C[C@H](NC(=O)NCCC1SCCS1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138381	GF	On-Demand	Anodyne	DRD4	21	41
C[C@H](NC(=O)NCCC1SCCS1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138381	GF	On-Demand	Anodyne	ACHE	17	42
C[C@@H](NC(=O)NCCC1SCCS1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138382	GF	On-Demand	Anodyne	DRD4	21	41
C[C@@H](NC(=O)NCCC1SCCS1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138382	GF	On-Demand	Anodyne	ACHE	17	42
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cnccc1C(F)(F)F	ZINC000852138492	GG	On-Demand	Clean	NAMPT	68	39
CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)C1CC1	ZINC000852138504	GF	On-Demand	Anodyne	CACNA1I	55	36
CC(C)(C)OC(=O)NC[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)C1CC1	ZINC000852138505	GF	On-Demand	Anodyne	CACNA1I	55	36
C[C@@H](NC(=O)NCC1SCCS1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138564	GE	On-Demand	Anodyne	DRD4	21	40
C[C@H](NC(=O)NCC1SCCS1)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138565	GE	On-Demand	Anodyne	DRD4	21	40
C[C@H](NC(=O)NCC1SCCS1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138566	GE	On-Demand	Anodyne	DRD4	21	40
C[C@@H](NC(=O)NCC1SCCS1)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138567	GE	On-Demand	Anodyne	DRD4	21	40
C=CC[C@@H]1CCCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C1	ZINC000852138589	FG	On-Demand	Mild	REN	37	43
C=CC[C@H]1CCCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C1	ZINC000852138590	FG	On-Demand	Mild	REN	37	43
C=CC[C@H]1CCCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1	ZINC000852138591	FG	On-Demand	Mild	REN	37	43
C=CC[C@@H]1CCCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1	ZINC000852138592	FG	On-Demand	Mild	REN	37	43
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(C2CCC2)CC1	ZINC000852138610	EH	On-Demand	Clean	EPHX2	23	40
COc1cccc([C@]2(C)CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)c1	ZINC000852138650	GH	On-Demand	Clean	DRD4	46	38
COc1cccc([C@]2(C)CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)c1	ZINC000852138650	GH	On-Demand	Clean	SOAT1	15	41
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852138687	FD	On-Demand	Clean	NAMPT	24	46
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852138688	FD	On-Demand	Clean	NAMPT	24	46
COCCN(CCF)C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138706	FD	On-Demand	Anodyne	DRD4	25	40
COCCN(CCF)C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138706	FD	On-Demand	Anodyne	CASR	43	39
COCCN(CCF)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138707	FD	On-Demand	Anodyne	DRD4	25	40
COCCN(CCF)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138707	FD	On-Demand	Anodyne	CASR	43	39
COCCN(CCF)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138708	FD	On-Demand	Anodyne	DRD4	25	40
COCCN(CCF)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1	ZINC000852138708	FD	On-Demand	Anodyne	CASR	43	39
COCCN(CCF)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138709	FD	On-Demand	Anodyne	DRD4	25	40
COCCN(CCF)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1	ZINC000852138709	FD	On-Demand	Anodyne	CASR	43	39
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000852138740	DH	On-Demand	Clean	ANPEP	17	42
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852138741	FF	On-Demand	Clean	HTR4	44	36
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852138741	FF	On-Demand	Clean	SIGMAR1	18	40
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852138741	FF	On-Demand	Clean	CCR3	43	44
O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CCN(CC2CC2)CC1	ZINC000852138741	FF	On-Demand	Clean	CACNA1I	60	40
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852138812	CF	On-Demand	Clean	EPHX2	15	41
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852138815	CF	On-Demand	Clean	EPHX2	15	41
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852138817	CF	On-Demand	Clean	EPHX2	15	41
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852138819	CF	On-Demand	Clean	EPHX2	15	41
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1(CNC(=O)OC(C)(C)C)CCC1	ZINC000852138821	GD	On-Demand	Anodyne	AMY2	52	31
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852138853	FD	On-Demand	Clean	NPSR1	27	41
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852138855	FD	On-Demand	Clean	NPSR1	27	41
CC(C)(C)N1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852138878	EF	On-Demand	Clean	EPHX2	18	42
CC(C)(C)N1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852138879	EF	On-Demand	Clean	EPHX2	18	42
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852138896	DE	On-Demand	Clean	TIMP3	54	39
O=C(NCc1ncccn1)NCc1cc(F)ccc1N1CCOCC1	ZINC000852138910	ED	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1ncccn1)NCc1cc(F)ccc1N1CCOCC1	ZINC000852138910	ED	On-Demand	Anodyne	STAT6	55	38
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852138960	GG	On-Demand	Clean	SIGMAR1	26	44
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852138961	GG	On-Demand	Clean	SIGMAR1	26	44
O=C(NCCCC1CCC1)NCc1ccc(N2CC=CC2)cc1	ZINC000852138970	DG	On-Demand	Clean	CCR3	23	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1	ZINC000852138973	GG	On-Demand	Clean	DRD4	22	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1	ZINC000852138973	GG	On-Demand	Clean	SIGMAR1	19	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1	ZINC000852138973	GG	On-Demand	Clean	MTNR1A	19	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1	ZINC000852138973	GG	On-Demand	Clean	MTNR1B	19	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1	ZINC000852138973	GG	On-Demand	Clean	EPHX2	19	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1	ZINC000852138973	GG	On-Demand	Clean	MCHR1	24	52
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852139132	GG	On-Demand	Clean	CCR5	35	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852139132	GG	On-Demand	Clean	MCHR1	16	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852139132	GG	On-Demand	Clean	NAMPT	20	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852139133	GG	On-Demand	Clean	CCR5	35	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852139133	GG	On-Demand	Clean	MCHR1	16	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000852139133	GG	On-Demand	Clean	NAMPT	20	41
C#C[C@H](NC(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C1CCOCC1	ZINC000852139301	GE	On-Demand	Mild	SIGMAR1	20	40
C#C[C@H](NC(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C1CCOCC1	ZINC000852139302	GE	On-Demand	Mild	SIGMAR1	20	40
C#C[C@H](NC(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C1CCOCC1	ZINC000852139303	GE	On-Demand	Mild	SIGMAR1	20	40
C#C[C@H](NC(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C1CCOCC1	ZINC000852139304	GE	On-Demand	Mild	SIGMAR1	20	40
FC(F)OCCN1CCCc2ccccc2CC1	ZINC000852139440	CF	On-Demand	Anodyne	SLC6A4	15	40
FC(F)OCCN1CCCc2ccccc2CC1	ZINC000852139440	CF	On-Demand	Anodyne	SLC6A3	37	45
FC(F)OCCN1CCCc2ccccc2CC1	ZINC000852139440	CF	On-Demand	Anodyne	LTA4H	32	40
FC(F)OCCN1CCCc2ccccc2CC1	ZINC000852139440	CF	On-Demand	Anodyne	HRH3	18	46
FC(F)OCCN1CCCc2ccccc2CC1	ZINC000852139440	CF	On-Demand	Anodyne	SIGMAR1	18	41
CC[C@@H]1CN(CC)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852139444	DC	On-Demand	Anodyne	CYP2J2	47	33
CC[C@@H]1CN(CC)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852139446	DC	On-Demand	Anodyne	CYP2J2	47	33
N#Cc1ccc(CCN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1	ZINC000852139489	EG	On-Demand	Mild	HRH3	28	47
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852139504	EF	On-Demand	Anodyne	SIGMAR1	29	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H](O)c2ccccn2)C1	ZINC000852139505	EF	On-Demand	Anodyne	SIGMAR1	29	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H](O)c2ccccn2)C1	ZINC000852139506	EF	On-Demand	Anodyne	SIGMAR1	29	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852139508	EF	On-Demand	Anodyne	SIGMAR1	29	40
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	MME	42	36
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	ANPEP	40	42
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	CTSB	27	41
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	CTSG	22	40
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	CTRB1	35	40
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	CAPNS1	53	34
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	CELA2A	21	40
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	CAPN1	49	41
CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139552	DG	On-Demand	Anodyne	CAPN2	80	37
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	MME	42	36
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	ANPEP	40	42
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	CTSB	27	41
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	CTSG	22	40
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	CTRB1	35	40
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	CAPNS1	53	34
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	CELA2A	21	40
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	CAPN1	49	41
CCC[C@H](CCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852139554	DG	On-Demand	Anodyne	CAPN2	80	37
Brc1ncn(CCN2CCCCCCCC2)n1	ZINC000852139556	DF	On-Demand	Anodyne	HRH3	21	40
NC(=O)[C@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139571	CE	On-Demand	Anodyne	CHRM2	25	49
NC(=O)[C@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139571	CE	On-Demand	Anodyne	CHRM1	23	49
NC(=O)[C@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139571	CE	On-Demand	Anodyne	CHRM4	28	49
NC(=O)[C@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139571	CE	On-Demand	Anodyne	CHRM5	20	44
NC(=O)[C@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139571	CE	On-Demand	Anodyne	CHRM3	39	49
NC(=O)[C@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139571	CE	On-Demand	Anodyne	AMY2	54	31
NC(=O)[C@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139571	CE	On-Demand	Anodyne	CYP2J2	44	32
NC(=O)[C@@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139574	CE	On-Demand	Anodyne	CHRM2	25	49
NC(=O)[C@@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139574	CE	On-Demand	Anodyne	CHRM1	23	49
NC(=O)[C@@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139574	CE	On-Demand	Anodyne	CHRM4	28	49
NC(=O)[C@@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139574	CE	On-Demand	Anodyne	CHRM5	20	44
NC(=O)[C@@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139574	CE	On-Demand	Anodyne	CHRM3	39	49
NC(=O)[C@@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139574	CE	On-Demand	Anodyne	AMY2	54	31
NC(=O)[C@@](O)(CN1CCCCCCCC1)c1ccccc1	ZINC000852139574	CE	On-Demand	Anodyne	CYP2J2	44	32
CNS(=O)(=O)c1ccc(CN2CCCCCCCC2)cc1	ZINC000852139614	DF	On-Demand	Anodyne	HRH3	33	53
CNS(=O)(=O)c1ccc(CN2CCCCCCCC2)cc1	ZINC000852139614	DF	On-Demand	Anodyne	SIGMAR1	27	45
CNS(=O)(=O)c1ccc(CN2CCCCCCCC2)cc1	ZINC000852139614	DF	On-Demand	Anodyne	BDKRB1	28	41
CNS(=O)(=O)c1ccc(CN2CCCCCCCC2)cc1	ZINC000852139614	DF	On-Demand	Anodyne	MLNR	15	40
CNS(=O)(=O)c1ccc(CN2CCCCCCCC2)cc1	ZINC000852139614	DF	On-Demand	Anodyne	LSS	15	54
C[C@H](O)CN(CC(F)F)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852139628	DC	On-Demand	Anodyne	AMY2	52	31
C[C@H](O)CN(CC(F)F)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852139630	DC	On-Demand	Anodyne	AMY2	52	31
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000852139708	DF	On-Demand	Anodyne	HSD11B1	40	44
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@@H]1CC[C@H]2C[C@@H]2C1	ZINC000852139709	DF	On-Demand	Anodyne	HSD11B1	40	44
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000852139710	DF	On-Demand	Anodyne	HSD11B1	40	44
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@@H]1CC[C@@H]2C[C@H]2C1	ZINC000852139711	DF	On-Demand	Anodyne	HSD11B1	40	44
CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)C1CC1	ZINC000852139757	FF	On-Demand	Mild	REN	25	40
CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCC[C@H](CC#N)C1)C1CC1	ZINC000852139758	FF	On-Demand	Mild	REN	25	40
CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)C1CC1	ZINC000852139759	FF	On-Demand	Mild	REN	25	40
CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)C1CC1	ZINC000852139760	FF	On-Demand	Mild	REN	25	40
CC[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)C1CC1	ZINC000852139785	EF	On-Demand	Anodyne	CTSK	15	40
CC[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1)C1CC1	ZINC000852139787	EF	On-Demand	Anodyne	CTSK	15	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)c(OC)c3)C2)cc1	ZINC000852139805	GG	On-Demand	Clean	DRD4	23	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)c(OC)c3)C2)cc1	ZINC000852139805	GG	On-Demand	Clean	SSTR5	45	38
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)c(OC)c3)C2)cc1	ZINC000852139805	GG	On-Demand	Clean	MTNR1A	64	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)c(OC)c3)C2)cc1	ZINC000852139805	GG	On-Demand	Clean	MTNR1B	56	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)c(OC)c3)C2)cc1	ZINC000852139805	GG	On-Demand	Clean	MCHR1	22	49
Cn1cnc(CN2CCCCCCCC2)c1	ZINC000852139874	BF	On-Demand	Anodyne	HRH3	21	45
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852139878	DE	On-Demand	Anodyne	DRD2	15	53
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852139878	DE	On-Demand	Anodyne	DRD4	41	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852139878	DE	On-Demand	Anodyne	ACHE	26	47
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852139878	DE	On-Demand	Anodyne	SIGMAR1	63	53
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852139879	DE	On-Demand	Anodyne	DRD2	15	53
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852139879	DE	On-Demand	Anodyne	DRD4	41	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852139879	DE	On-Demand	Anodyne	ACHE	26	47
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H]2CCC(=O)O2)C1	ZINC000852139879	DE	On-Demand	Anodyne	SIGMAR1	63	53
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852139880	DE	On-Demand	Anodyne	DRD2	15	53
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852139880	DE	On-Demand	Anodyne	DRD4	41	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852139880	DE	On-Demand	Anodyne	ACHE	26	47
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852139880	DE	On-Demand	Anodyne	SIGMAR1	63	53
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852139881	DE	On-Demand	Anodyne	DRD2	15	53
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852139881	DE	On-Demand	Anodyne	DRD4	41	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852139881	DE	On-Demand	Anodyne	ACHE	26	47
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H]2CCC(=O)O2)C1	ZINC000852139881	DE	On-Demand	Anodyne	SIGMAR1	63	53
C#CCOCCN1CCCc2ccccc2CC1	ZINC000852139905	BE	On-Demand	Mild	HRH3	39	47
C#CCOCCN1CCCc2ccccc2CC1	ZINC000852139905	BE	On-Demand	Mild	PSMB1	40	36
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CCC(c2ccon2)CC1	ZINC000852139917	GE	On-Demand	Reactive	RBP4	43	37
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	F2	48	37
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	FKBP1A	52	41
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	OPRM1	15	43
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	ELANE	32	41
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	UGCG	41	38
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	CTRA_BOVIN	64	34
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	TRY1_BOVIN	61	35
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	CTSG	44	34
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	PREP	58	43
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	CELA2A	52	34
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	LGMN	48	38
O=C(NCC(F)F)[C@@H]1CCCCN1CCOCc1ccccc1	ZINC000852139949	EE	On-Demand	Anodyne	TMPRSS11D	60	36
CO[C@@H]1C[C@@H](N(C)C[C@](O)(C(N)=O)c2ccccc2)C12CCC2	ZINC000852139984	DD	On-Demand	Anodyne	AMY2	45	32
CO[C@@H]1C[C@@H](N(C)C[C@@](O)(C(N)=O)c2ccccc2)C12CCC2	ZINC000852139985	DD	On-Demand	Anodyne	AMY2	45	32
O=C(NCC(F)F)[C@@H]1CCCCN1CC1CC=CC1	ZINC000852139999	CE	On-Demand	Anodyne	HSD11B1	30	41
CNS(=O)(=O)c1ccc(CN2CCCC[C@H]2C(=O)NCC(F)F)cc1	ZINC000852140000	GD	On-Demand	Anodyne	WNT3	51	42
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2)NC1CCN(C2CC2)CC1	ZINC000852140028	JI	On-Demand	Anodyne	TNKS	44	30
C[C@@H]1CN(CCN2CCCCCCCC2)C[C@@H](C)O1	ZINC000852140031	CF	On-Demand	Anodyne	ERG2	20	52
C[C@@H]1CN(CCN2CCCCCCCC2)C[C@@H](C)O1	ZINC000852140031	CF	On-Demand	Anodyne	Q2TU57_MAIZE	22	52
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140040	ED	On-Demand	Reactive	PAPA1_CARPA	43	30
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140040	ED	On-Demand	Reactive	CTSK	16	41
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140040	ED	On-Demand	Reactive	CAPNS1	43	32
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140040	ED	On-Demand	Reactive	MMP11	46	34
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140040	ED	On-Demand	Reactive	CAPN2	70	38
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140040	ED	On-Demand	Reactive	NPR	47	34
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140041	ED	On-Demand	Reactive	PAPA1_CARPA	43	30
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140041	ED	On-Demand	Reactive	CTSK	16	41
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140041	ED	On-Demand	Reactive	CAPNS1	43	32
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140041	ED	On-Demand	Reactive	MMP11	46	34
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140041	ED	On-Demand	Reactive	CAPN2	70	38
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852140041	ED	On-Demand	Reactive	NPR	47	34
CCOP(=O)(OCC)[C@H](O)CN1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000852140064	GG	On-Demand	Anodyne	ADAM9	42	35
CCOP(=O)(OCC)[C@@H](O)CN1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000852140065	GG	On-Demand	Anodyne	ADAM9	42	35
CCOP(=O)(OCC)[C@H](O)CN1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000852140066	GG	On-Demand	Anodyne	ADAM9	42	35
CCOP(=O)(OCC)[C@@H](O)CN1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000852140067	GG	On-Demand	Anodyne	ADAM9	42	35
Cc1ccnc([C@@H]2CCN(CC(=O)Nc3ccc(Cl)nc3)C2)c1	ZINC000852140097	EF	On-Demand	Anodyne	DRD4	16	56
Cc1ccnc([C@H]2CCN(CC(=O)Nc3ccc(Cl)nc3)C2)c1	ZINC000852140098	EF	On-Demand	Anodyne	DRD4	16	56
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852140112	FH	On-Demand	Anodyne	SLC18A3	30	45
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852140113	FH	On-Demand	Anodyne	SLC18A3	30	45
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	ACE	54	38
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	GHRHR	52	32
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	GRIN2B	44	36
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	SIGMAR1	23	44
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	CTSB	35	42
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	CTSK	46	42
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	CTSL	38	42
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	CAPNS1	56	32
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	REN	35	41
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	CTSS	27	41
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	CAPN1	50	39
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	CAPN2	73	39
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	EPHX2	39	42
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	NAAA	40	33
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	CCR8	49	40
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140114	FG	On-Demand	Anodyne	BIRC2	52	42
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	ACE	54	38
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	GHRHR	52	32
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	GRIN2B	44	36
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	SIGMAR1	23	44
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	CTSB	35	42
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	CTSK	46	42
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	CTSL	38	42
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	CAPNS1	56	32
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	REN	35	41
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	CTSS	27	41
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	CAPN1	50	39
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	CAPN2	73	39
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	EPHX2	39	42
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	NAAA	40	33
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	CCR8	49	40
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852140115	FG	On-Demand	Anodyne	BIRC2	52	42
CCCCCC[C@](O)(CN1C[C@@H](O)[C@H](OC)C1)C(=O)OC	ZINC000852140116	DC	On-Demand	Anodyne	GBA2	40	37
CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)C1CC1	ZINC000852140138	FG	On-Demand	Anodyne	REN	30	43
CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCC[C@H](CCF)C1)C1CC1	ZINC000852140139	FG	On-Demand	Anodyne	REN	30	43
CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCC[C@H](CCF)C1)C1CC1	ZINC000852140140	FG	On-Demand	Anodyne	REN	30	43
CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCC[C@@H](CCF)C1)C1CC1	ZINC000852140141	FG	On-Demand	Anodyne	REN	30	43
COC(=O)N(C)CCNC(=O)NCCc1ccc(C)c(OC)c1	ZINC000852140161	DD	On-Demand	Anodyne	MTNR1A	29	41
COC(=O)N(C)CCNC(=O)NCCc1ccc(C)c(OC)c1	ZINC000852140161	DD	On-Demand	Anodyne	MTNR1B	20	41
N#Cc1ccc(CCN2CCCC[C@H]2C(=O)NCC(F)F)cc1	ZINC000852140274	DE	On-Demand	Mild	HRH3	20	43
N#Cc1ccc(CCN2CCCC[C@H]2C(=O)NCC(F)F)cc1	ZINC000852140274	DE	On-Demand	Mild	HSD11B1	20	46
N#Cc1ccc(CCN2CCCC[C@H]2C(=O)NCC(F)F)cc1	ZINC000852140274	DE	On-Demand	Mild	LGMN	54	32
N#Cc1ccc(CCN2CCCC[C@H]2C(=O)NCC(F)F)cc1	ZINC000852140274	DE	On-Demand	Mild	GPBAR1	31	43
COc1cccc(SCCN2CCCC[C@H]2C(=O)NCC(F)F)c1	ZINC000852140278	FG	On-Demand	Anodyne	FKBP1A	55	39
COc1cccc(SCCN2CCCC[C@H]2C(=O)NCC(F)F)c1	ZINC000852140278	FG	On-Demand	Anodyne	DRD4	42	32
COc1cccc(SCCN2CCCC[C@H]2C(=O)NCC(F)F)c1	ZINC000852140278	FG	On-Demand	Anodyne	MTNR1A	24	50
COc1cccc(SCCN2CCCC[C@H]2C(=O)NCC(F)F)c1	ZINC000852140278	FG	On-Demand	Anodyne	MTNR1B	26	50
CC(C)(C)C(=O)N1CCC[C@H](CN2CCCC[C@H]2C(=O)NCC(F)F)C1	ZINC000852140301	FF	On-Demand	Anodyne	HSD11B1	29	40
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCCC[C@H]2C(=O)NCC(F)F)C1	ZINC000852140302	FF	On-Demand	Anodyne	HSD11B1	29	40
CCOP(=O)(OCC)[C@H](O)CN1CCc2cccc(OC)c2C1	ZINC000852140325	EF	On-Demand	Anodyne	ADAM9	64	34
CCOP(=O)(OCC)[C@H](O)CN1CCc2cccc(OC)c2C1	ZINC000852140325	EF	On-Demand	Anodyne	NOD2	42	38
CCOP(=O)(OCC)[C@@H](O)CN1CCc2cccc(OC)c2C1	ZINC000852140326	EF	On-Demand	Anodyne	ADAM9	64	34
CCOP(=O)(OCC)[C@@H](O)CN1CCc2cccc(OC)c2C1	ZINC000852140326	EF	On-Demand	Anodyne	NOD2	42	38
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852140331	FD	On-Demand	Reactive	RBP4	71	34
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852140332	FD	On-Demand	Reactive	RBP4	71	34
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852140333	FD	On-Demand	Reactive	RBP4	71	34
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852140334	FD	On-Demand	Reactive	RBP4	71	34
CCOP(=O)(OCC)[C@H](O)CN1CCCc2ccccc2CC1	ZINC000852140349	EG	On-Demand	Anodyne	ADAM9	47	33
CCOP(=O)(OCC)[C@H](O)CN1CCCc2ccccc2CC1	ZINC000852140349	EG	On-Demand	Anodyne	NOD2	43	38
CCOP(=O)(OCC)[C@@H](O)CN1CCCc2ccccc2CC1	ZINC000852140350	EG	On-Demand	Anodyne	ADAM9	47	33
CCOP(=O)(OCC)[C@@H](O)CN1CCCc2ccccc2CC1	ZINC000852140350	EG	On-Demand	Anodyne	NOD2	43	38
C[C@H]1CN(Cc2ccccc2)CCN(Cc2cccc(F)n2)C1	ZINC000852140363	DG	On-Demand	Anodyne	DRD4	38	43
C[C@H]1CN(Cc2ccccc2)CCN(Cc2cccc(F)n2)C1	ZINC000852140363	DG	On-Demand	Anodyne	SIGMAR1	49	44
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2cccc(F)n2)C1	ZINC000852140364	DG	On-Demand	Anodyne	DRD4	38	43
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2cccc(F)n2)C1	ZINC000852140364	DG	On-Demand	Anodyne	SIGMAR1	49	44
FC(F)OCCN1CCCCCCCC1	ZINC000852140372	BF	On-Demand	Anodyne	HRH3	15	42
FC(F)OCCN1CCCCCCCC1	ZINC000852140372	BF	On-Demand	Anodyne	PSMB1	41	39
O=C(CN1CCCCCCCC1)Nc1cnccn1	ZINC000852140387	CE	On-Demand	Anodyne	KARS	41	33
C#CCOCCN1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000852140391	CE	On-Demand	Mild	SLC6A1	46	37
C#CCOCCN1CCN(Cc2ccccc2)C[C@@H](C)C1	ZINC000852140391	CE	On-Demand	Mild	SIGMAR1	52	43
C#CCOCCN1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000852140392	CE	On-Demand	Mild	SLC6A1	46	37
C#CCOCCN1CCN(Cc2ccccc2)C[C@H](C)C1	ZINC000852140392	CE	On-Demand	Mild	SIGMAR1	52	43
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000852140406	GE	On-Demand	Reactive	HTR4	41	37
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000852140406	GE	On-Demand	Reactive	SIGMAR1	23	44
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000852140406	GE	On-Demand	Reactive	CACNA1I	61	36
O[C@@H](CN1CCCCCCCC1)c1ccccn1	ZINC000852140414	BF	On-Demand	Anodyne	ABCB1	18	40
O[C@H](CN1CCCCCCCC1)c1ccccn1	ZINC000852140415	BF	On-Demand	Anodyne	ABCB1	18	40
O=C(NCC(F)F)[C@@H]1CCCCN1CC=C(Cl)Cl	ZINC000852140500	DF	On-Demand	Anodyne	HSD11B1	43	36
CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852140668	FG	On-Demand	Anodyne	ACE	44	37
CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852140669	FG	On-Demand	Anodyne	ACE	44	37
C[C@H]1CN(Cc2ccccc2)CCN(Cc2cnon2)C1	ZINC000852140701	CE	On-Demand	Anodyne	DRD4	37	43
C[C@H]1CN(Cc2ccccc2)CCN(Cc2cnon2)C1	ZINC000852140701	CE	On-Demand	Anodyne	SIGMAR1	49	44
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2cnon2)C1	ZINC000852140702	CE	On-Demand	Anodyne	DRD4	37	43
C[C@@H]1CN(Cc2ccccc2)CCN(Cc2cnon2)C1	ZINC000852140702	CE	On-Demand	Anodyne	SIGMAR1	49	44
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852140714	ED	On-Demand	Reactive	RBP4	83	40
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852140715	ED	On-Demand	Reactive	RBP4	83	40
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CC[C@H]2C[C@H]2C1	ZINC000852140716	ED	On-Demand	Reactive	RBP4	83	40
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852140717	ED	On-Demand	Reactive	RBP4	83	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H](CO)CC(C)(C)C	ZINC000852140789	DD	On-Demand	Anodyne	AMY2	53	31
CN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H](CO)CC(C)(C)C	ZINC000852140792	DD	On-Demand	Anodyne	AMY2	53	31
O=C1CC[C@H]2CN(C(=O)NNC(=O)C(F)(F)Oc3ccccc3)CC[C@@H]2N1	ZINC000852140849	GC	On-Demand	Reactive	RBP4	70	35
O=C1CC[C@@H]2CN(C(=O)NNC(=O)C(F)(F)Oc3ccccc3)CC[C@H]2N1	ZINC000852140852	GC	On-Demand	Reactive	RBP4	70	35
O=C1CC[C@H]2CN(C(=O)NNC(=O)C(F)(F)Oc3ccccc3)CC[C@H]2N1	ZINC000852140855	GC	On-Demand	Reactive	RBP4	70	35
O=C1CC[C@@H]2CN(C(=O)NNC(=O)C(F)(F)Oc3ccccc3)CC[C@@H]2N1	ZINC000852140856	GC	On-Demand	Reactive	RBP4	70	35
O=C(NNC(=O)c1cccc2ccccc12)NC1CCN([C@H]2CCOC2)CC1	ZINC000852140923	GE	On-Demand	Reactive	CCR8	49	34
O=C(NCC(F)F)[C@@H]1CCCCN1CC1C[C@H]2C[C@@H]2C1	ZINC000852140930	CE	On-Demand	Anodyne	HSD11B1	50	46
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@H]1C[C@@H]2C[C@@H]2C1	ZINC000852140932	CE	On-Demand	Anodyne	HSD11B1	50	46
O=C(NNC(=O)c1cccc2ccccc12)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852140933	GE	On-Demand	Reactive	CCR8	49	34
O=C(NCC(F)F)[C@@H]1CCCCN1CC1C[C@@H]2C[C@H]2C1	ZINC000852140935	CE	On-Demand	Anodyne	HSD11B1	50	46
C[C@@H]1CN(CC2=NS(=O)(=O)c3ccccc32)CCN(Cc2ccccc2)C1	ZINC000852140961	GF	On-Demand	Anodyne	SIGMAR1	32	40
NC(=O)[C@](O)(CN1CCCC[C@H]1C(=O)NCC(F)F)c1ccccc1	ZINC000852140974	FC	On-Demand	Anodyne	TMPRSS11D	47	31
NC(=O)[C@@](O)(CN1CCCC[C@H]1C(=O)NCC(F)F)c1ccccc1	ZINC000852140976	FC	On-Demand	Anodyne	TMPRSS11D	47	31
O=C(NNC(=O)N1CCC(N2CCOC2=O)CC1)c1cccc2ccccc12	ZINC000852140986	GE	On-Demand	Reactive	CCR8	53	34
c1ccc2nc(CN3CCCCCCCC3)cnc2c1	ZINC000852140993	CH	On-Demand	Anodyne	LTA4H	23	40
c1ccc2nc(CN3CCCCCCCC3)cnc2c1	ZINC000852140993	CH	On-Demand	Anodyne	HRH3	24	42
c1ccc2nc(CN3CCCCCCCC3)cnc2c1	ZINC000852140993	CH	On-Demand	Anodyne	HNMT	81	39
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852141043	GG	On-Demand	Reactive	DRD4	16	47
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852141043	GG	On-Demand	Reactive	SIGMAR1	15	54
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852141043	GG	On-Demand	Reactive	CCR3	18	42
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852141043	GG	On-Demand	Reactive	SLC6A5	17	43
O=C(NNC(=O)c1cccc2ccccc12)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852141043	GG	On-Demand	Reactive	CCR8	71	38
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852141044	GG	On-Demand	Reactive	DRD4	16	47
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852141044	GG	On-Demand	Reactive	SIGMAR1	15	54
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852141044	GG	On-Demand	Reactive	CCR3	18	42
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852141044	GG	On-Demand	Reactive	SLC6A5	17	43
O=C(NNC(=O)c1cccc2ccccc12)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852141044	GG	On-Demand	Reactive	CCR8	71	38
Cc1ccnc([C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C2)c1	ZINC000852141106	ED	On-Demand	Anodyne	MAP3K12	36	41
Cc1ccnc([C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C2)c1	ZINC000852141108	ED	On-Demand	Anodyne	MAP3K12	36	41
Cc1ccnc([C@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)C2)c1	ZINC000852141110	ED	On-Demand	Anodyne	MAP3K12	36	41
Cc1ccnc([C@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)C2)c1	ZINC000852141112	ED	On-Demand	Anodyne	MAP3K12	36	41
O=C(NCC(F)F)[C@@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852141137	EE	On-Demand	Bother	P2RX7	15	45
CCCCC[C@@H](C)NC(=O)CN1CC(S(=O)(=O)CC)C1	ZINC000852141160	DD	On-Demand	Anodyne	NOD1	82	38
O=C(NNC(=O)C(F)(F)Oc1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852141195	GD	On-Demand	Reactive	EPHX2	15	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H]2COC(C)(C)O2)C1	ZINC000852141211	DF	On-Demand	Anodyne	DRD4	19	42
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@H]2COC(C)(C)O2)C1	ZINC000852141211	DF	On-Demand	Anodyne	SIGMAR1	50	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H]2COC(C)(C)O2)C1	ZINC000852141212	DF	On-Demand	Anodyne	DRD4	19	42
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@H]2COC(C)(C)O2)C1	ZINC000852141212	DF	On-Demand	Anodyne	SIGMAR1	50	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H]2COC(C)(C)O2)C1	ZINC000852141213	DF	On-Demand	Anodyne	DRD4	19	42
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@H]2COC(C)(C)O2)C1	ZINC000852141213	DF	On-Demand	Anodyne	SIGMAR1	50	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H]2COC(C)(C)O2)C1	ZINC000852141214	DF	On-Demand	Anodyne	DRD4	19	42
C[C@H]1CN(Cc2ccccc2)CCN(C[C@H]2COC(C)(C)O2)C1	ZINC000852141214	DF	On-Demand	Anodyne	SIGMAR1	50	40
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000852141246	FG	On-Demand	Anodyne	SLC6A3	18	41
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000852141246	FG	On-Demand	Anodyne	GRIN2D	76	33
NC(=O)[C@](O)(CN1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000852141248	FG	On-Demand	Anodyne	SLC6A3	18	41
NC(=O)[C@](O)(CN1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000852141248	FG	On-Demand	Anodyne	GRIN2D	76	33
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000852141250	FG	On-Demand	Anodyne	SLC6A3	18	41
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000852141250	FG	On-Demand	Anodyne	GRIN2D	76	33
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000852141252	FG	On-Demand	Anodyne	SLC6A3	18	41
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000852141252	FG	On-Demand	Anodyne	GRIN2D	76	33
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852141272	EG	On-Demand	Reactive	KCNJ11	85	33
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852141272	EG	On-Demand	Reactive	ECR	61	43
O[C@@H](CN1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccn1	ZINC000852141292	DH	On-Demand	Anodyne	GRIN2D	45	30
O[C@H](CN1CCCC[C@@H]1c1ccc(Cl)cc1)c1ccccn1	ZINC000852141294	DH	On-Demand	Anodyne	GRIN2D	45	30
O[C@@H](CN1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccn1	ZINC000852141296	DH	On-Demand	Anodyne	GRIN2D	45	30
O[C@H](CN1CCCC[C@H]1c1ccc(Cl)cc1)c1ccccn1	ZINC000852141298	DH	On-Demand	Anodyne	GRIN2D	45	30
COCCN(CCF)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141316	FD	On-Demand	Anodyne	DRD3	28	40
COCCN(CCF)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141316	FD	On-Demand	Anodyne	P2RX3	29	42
COCCN(CCF)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141317	FD	On-Demand	Anodyne	DRD3	28	40
COCCN(CCF)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141317	FD	On-Demand	Anodyne	P2RX3	29	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141340	GD	On-Demand	Anodyne	HTR1A	36	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141340	GD	On-Demand	Anodyne	DRD2	25	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141340	GD	On-Demand	Anodyne	ADRA1D	19	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141340	GD	On-Demand	Anodyne	ADRA1A	19	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141340	GD	On-Demand	Anodyne	DRD3	35	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141340	GD	On-Demand	Anodyne	P2RX3	24	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141341	GD	On-Demand	Anodyne	HTR1A	36	42
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141341	GD	On-Demand	Anodyne	DRD2	25	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141341	GD	On-Demand	Anodyne	ADRA1D	19	42
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141341	GD	On-Demand	Anodyne	ADRA1A	19	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141341	GD	On-Demand	Anodyne	DRD3	35	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1	ZINC000852141341	GD	On-Demand	Anodyne	P2RX3	24	40
C[C@@H]1CN(C(=O)NNC(=O)c2cccc3ccccc23)CCN1S(C)(=O)=O	ZINC000852141350	GD	On-Demand	Reactive	CCR8	69	33
C#CCOCCN1CCCCCCCC1	ZINC000852141366	BE	On-Demand	Mild	HRH3	24	46
C[C@@]1(CNC(=O)NNC(=O)c2cccc3ccccc23)CC1(F)F	ZINC000852141385	EF	On-Demand	Reactive	HCN1	55	31
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc3ccccc23)C1	ZINC000852141393	EE	On-Demand	Reactive	CASP1	16	40
C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)c1cnn(C)c1	ZINC000852141398	EF	On-Demand	Anodyne	SOAT1	25	40
C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)c1cnn(C)c1	ZINC000852141402	EF	On-Demand	Anodyne	SOAT1	25	40
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)c1cnn(C)c1	ZINC000852141407	EF	On-Demand	Anodyne	SOAT1	25	40
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@@H]1CCC[C@H](O)C1	ZINC000852141411	DD	On-Demand	Anodyne	HSD11B1	43	47
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@H]1CCC[C@H](O)C1	ZINC000852141413	DD	On-Demand	Anodyne	HSD11B1	43	47
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@@H]1CCC[C@@H](O)C1	ZINC000852141416	DD	On-Demand	Anodyne	HSD11B1	43	47
O=C(NCC(F)F)[C@@H]1CCCCN1C[C@H]1CCC[C@@H](O)C1	ZINC000852141419	DD	On-Demand	Anodyne	HSD11B1	43	47
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)C(F)(F)Oc1ccccc1	ZINC000852141423	GE	On-Demand	Reactive	CCR3	49	36
CO[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1O	ZINC000852141477	CB	On-Demand	Anodyne	CHRM2	24	43
CO[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1O	ZINC000852141477	CB	On-Demand	Anodyne	AMY2	54	31
CO[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1O	ZINC000852141480	CB	On-Demand	Anodyne	CHRM2	24	43
CO[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1O	ZINC000852141480	CB	On-Demand	Anodyne	AMY2	54	31
CCCCCCCN1CC(S(=O)(=O)CC)C1	ZINC000852141482	BE	On-Demand	Mild	CQSS	52	33
CCOC(=O)Nc1ccc2c(CN3CC(S(=O)(=O)CC)C3)cc(=O)oc2c1	ZINC000852141525	GD	On-Demand	Anodyne	MMP12	17	41
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc2ccccc12	ZINC000852141590	EG	On-Demand	Reactive	PREP	24	44
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc2ccccc12	ZINC000852141590	EG	On-Demand	Reactive	CCR8	53	34
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc2ccccc12	ZINC000852141593	EG	On-Demand	Reactive	PREP	24	44
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc2ccccc12	ZINC000852141593	EG	On-Demand	Reactive	CCR8	53	34
Cc1nc(CN2C[C@H](CNC(=O)OC(C)(C)C)C3(CCOCC3)C2)c(C)o1	ZINC000852141608	GG	On-Demand	Anodyne	PDE8B	43	35
Cc1nc(CN2C[C@@H](CNC(=O)OC(C)(C)C)C3(CCOCC3)C2)c(C)o1	ZINC000852141611	GG	On-Demand	Anodyne	PDE8B	43	35
NC(=O)CC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCCCC1	ZINC000852141674	GF	On-Demand	Reactive	HCN1	57	35
NC(=O)CC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCCCC1	ZINC000852141674	GF	On-Demand	Reactive	HCN4	53	34
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	DRD2	15	44
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	CNR1	15	46
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	DRD4	24	47
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	DRD3	15	41
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	HTR4	76	45
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	SIGMAR1	21	43
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	CCR3	43	44
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	CACNA1I	65	38
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	HCN1	59	34
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cccc2ccccc12	ZINC000852141677	GF	On-Demand	Reactive	HCN4	44	34
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1cccc2ccccc12	ZINC000852141687	EE	On-Demand	Reactive	CCR8	61	33
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)c1cccc2ccccc12	ZINC000852141688	EE	On-Demand	Reactive	CCR8	61	33
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)c1cccc2ccccc12	ZINC000852141689	EE	On-Demand	Reactive	CCR8	61	33
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)c1cccc2ccccc12	ZINC000852141690	EE	On-Demand	Reactive	CCR8	61	33
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852141710	FF	On-Demand	Reactive	CCR8	53	31
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852141712	FF	On-Demand	Reactive	CCR8	53	31
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc3ccccc23)C1	ZINC000852141722	FF	On-Demand	Reactive	DRD4	22	50
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc3ccccc23)C1	ZINC000852141722	FF	On-Demand	Reactive	CCR8	96	38
CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852141724	FG	On-Demand	Anodyne	ACE	44	37
CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852141724	FG	On-Demand	Anodyne	CTSS	15	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc3ccccc23)C1	ZINC000852141725	FF	On-Demand	Reactive	DRD4	22	50
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc3ccccc23)C1	ZINC000852141725	FF	On-Demand	Reactive	CCR8	96	38
CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852141726	FG	On-Demand	Anodyne	ACE	44	37
CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852141726	FG	On-Demand	Anodyne	CTSS	15	41
CCSC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CC1	ZINC000852141727	EG	On-Demand	Reactive	HCN1	72	34
CCSC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CC1	ZINC000852141727	EG	On-Demand	Reactive	HCN4	50	32
CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852141728	FG	On-Demand	Anodyne	ACE	44	37
CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852141728	FG	On-Demand	Anodyne	CTSS	15	41
CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852141730	FG	On-Demand	Anodyne	ACE	44	37
CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852141730	FG	On-Demand	Anodyne	CTSS	15	41
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1	ZINC000852141762	JH	On-Demand	Mild	ABL1	15	65
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	HTR1A	35	53
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	DRD2	26	46
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	DRD5	15	46
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	HTR7	26	42
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	SIGMAR1	15	44
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	HTR5A	29	40
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	ABCB1B	45	31
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	EBP	20	40
C#CCOCCN1CCc2cccc(OC)c2C1	ZINC000852141765	BD	On-Demand	Mild	ABCB1	21	42
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852141767	GD	On-Demand	Reactive	CTRA_BOVIN	50	32
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852141767	GD	On-Demand	Reactive	CELA2A	40	32
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852141767	GD	On-Demand	Reactive	XIAP	41	33
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852141770	GD	On-Demand	Reactive	CTRA_BOVIN	50	32
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852141770	GD	On-Demand	Reactive	CELA2A	40	32
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852141770	GD	On-Demand	Reactive	XIAP	41	33
CCC[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852141773	FF	On-Demand	Reactive	CAPN2	40	34
CCC[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852141776	FF	On-Demand	Reactive	CAPN2	40	34
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cccc(F)n2)CC12CCOCC2	ZINC000852141793	GF	On-Demand	Anodyne	PDE8B	51	32
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(F)n2)CC12CCOCC2	ZINC000852141796	GF	On-Demand	Anodyne	PDE8B	51	32
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141802	FD	On-Demand	Anodyne	CHRM2	28	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141802	FD	On-Demand	Anodyne	CHRM1	20	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141802	FD	On-Demand	Anodyne	DRD4	43	38
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141802	FD	On-Demand	Anodyne	ACHE	28	43
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141802	FD	On-Demand	Anodyne	CHRM3	35	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141802	FD	On-Demand	Anodyne	SIGMAR1	50	41
C[C@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141802	FD	On-Demand	Anodyne	CYP2J2	45	32
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141805	FD	On-Demand	Anodyne	CHRM2	28	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141805	FD	On-Demand	Anodyne	CHRM1	20	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141805	FD	On-Demand	Anodyne	DRD4	43	38
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141805	FD	On-Demand	Anodyne	ACHE	28	43
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141805	FD	On-Demand	Anodyne	CHRM3	35	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141805	FD	On-Demand	Anodyne	SIGMAR1	50	41
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141805	FD	On-Demand	Anodyne	CYP2J2	45	32
C[C@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141808	FD	On-Demand	Anodyne	CHRM2	28	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141808	FD	On-Demand	Anodyne	CHRM1	20	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141808	FD	On-Demand	Anodyne	DRD4	43	38
C[C@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141808	FD	On-Demand	Anodyne	ACHE	28	43
C[C@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141808	FD	On-Demand	Anodyne	CHRM3	35	40
C[C@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141808	FD	On-Demand	Anodyne	SIGMAR1	50	41
C[C@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141808	FD	On-Demand	Anodyne	CYP2J2	45	32
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141811	FD	On-Demand	Anodyne	CHRM2	28	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141811	FD	On-Demand	Anodyne	CHRM1	20	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141811	FD	On-Demand	Anodyne	DRD4	43	38
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141811	FD	On-Demand	Anodyne	ACHE	28	43
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141811	FD	On-Demand	Anodyne	CHRM3	35	40
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141811	FD	On-Demand	Anodyne	SIGMAR1	50	41
C[C@@H]1CN(Cc2ccccc2)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852141811	FD	On-Demand	Anodyne	CYP2J2	45	32
Cn1cnc(CN2CCCC[C@H]2C(=O)NCC(F)F)c1	ZINC000852141814	CD	On-Demand	Anodyne	TRHR	27	41
CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852141815	FG	On-Demand	Anodyne	SLC18A3	26	42
CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852141819	FG	On-Demand	Anodyne	SLC18A3	26	42
C[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1	ZINC000852141824	FF	On-Demand	Anodyne	MAPK1	26	42
C[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1	ZINC000852141827	FF	On-Demand	Anodyne	MAPK1	26	42
COC[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(C)C	ZINC000852141828	EF	On-Demand	Anodyne	SOAT1	24	41
C[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1	ZINC000852141830	FF	On-Demand	Anodyne	MAPK1	26	42
COC[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(C)C	ZINC000852141831	EF	On-Demand	Anodyne	SOAT1	24	41
COC[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(C)C	ZINC000852141834	EF	On-Demand	Anodyne	SOAT1	24	41
O=C(NNC(=O)N1CCC(c2ccon2)CC1)c1cccc2ccccc12	ZINC000852141835	FG	On-Demand	Reactive	SMO	41	39
COC[C@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(C)C	ZINC000852141837	EF	On-Demand	Anodyne	SOAT1	24	41
CO[C@@H]1CN(CC(=O)Nc2ccc(Cl)nc2)C[C@H]1O	ZINC000852141847	CC	On-Demand	Anodyne	AURKB	21	40
FC(F)OCCN(c1ccccc1)C1CC1	ZINC000852141887	BF	On-Demand	Anodyne	AMY2	44	30
O=C(NNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1cccc2ccccc12	ZINC000852141967	GG	On-Demand	Reactive	CCR8	49	33
O=C(NNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1cccc2ccccc12	ZINC000852141968	GG	On-Demand	Reactive	CCR8	49	33
N#CC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCCCC1	ZINC000852141982	FG	On-Demand	Reactive	HCN1	57	35
N#CC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCCCC1	ZINC000852141982	FG	On-Demand	Reactive	HCN4	53	34
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc3ccccc23)C1	ZINC000852142011	EF	On-Demand	Reactive	PREP	30	43
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2cccc3ccccc23)C1	ZINC000852142012	EF	On-Demand	Reactive	PREP	30	43
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852142034	GF	On-Demand	Reactive	HCN1	51	32
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852142034	GF	On-Demand	Reactive	HCN4	40	32
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2)NC(C1CC1)C1CC1	ZINC000852142043	JJ	On-Demand	Anodyne	TACR3	43	40
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc2ccccc12	ZINC000852142064	DF	On-Demand	Reactive	RBP4	69	37
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc2ccccc12	ZINC000852142064	DF	On-Demand	Reactive	CCR8	79	37
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc2ccccc12	ZINC000852142065	DF	On-Demand	Reactive	RBP4	69	37
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc2ccccc12	ZINC000852142065	DF	On-Demand	Reactive	CCR8	79	37
Fc1ccc([C@H]2COCCN2CCOC(F)F)cc1	ZINC000852142164	CE	On-Demand	Anodyne	SLC6A3	17	41
Fc1ccc([C@@H]2COCCN2CCOC(F)F)cc1	ZINC000852142165	CE	On-Demand	Anodyne	SLC6A3	17	41
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc2ccccc12	ZINC000852142166	DF	On-Demand	Reactive	RBP4	69	37
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc2ccccc12	ZINC000852142166	DF	On-Demand	Reactive	CCR8	79	37
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc2ccccc12	ZINC000852142167	DF	On-Demand	Reactive	RBP4	69	37
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc2ccccc12	ZINC000852142167	DF	On-Demand	Reactive	CCR8	79	37
CC(C)(C)OC(=O)C1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCC1	ZINC000852142243	GG	On-Demand	Reactive	HCN1	68	34
CC(C)(C)OC(=O)C1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCC1	ZINC000852142243	GG	On-Demand	Reactive	HCN4	51	32
CC[C@@H](NC(=O)NNC(=O)c1cccc2ccccc12)C1CC1	ZINC000852142254	DF	On-Demand	Reactive	TACR3	45	33
CNC(=O)CC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCCCC1	ZINC000852142255	GF	On-Demand	Reactive	HCN1	66	36
CNC(=O)CC1(CNC(=O)NNC(=O)c2cccc3ccccc23)CCCCC1	ZINC000852142255	GF	On-Demand	Reactive	HCN4	54	35
O=C(NNC(=O)N1CCOC(C2CC2)(C2CC2)C1)c1cccc2ccccc12	ZINC000852142261	GG	On-Demand	Reactive	CCR8	58	34
CCOC(=O)[C@@H]1CCC[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852142310	DC	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)[C@@H]1CCC[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852142311	DC	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852142525	GF	On-Demand	Reactive	HCN1	40	31
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852142525	GF	On-Demand	Reactive	HCN4	41	31
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852142526	GF	On-Demand	Reactive	HCN1	40	31
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)c1cccc2ccccc12	ZINC000852142526	GF	On-Demand	Reactive	HCN4	41	31
O=C(NCC[S@@](=O)CC(F)(F)F)NNC(=O)c1cccc2ccccc12	ZINC000852142530	GE	On-Demand	Reactive	KCNJ11	41	30
O=C(NCC[S@](=O)CC(F)(F)F)NNC(=O)c1cccc2ccccc12	ZINC000852142531	GE	On-Demand	Reactive	KCNJ11	41	30
CC[C@@H](C)c1ccc(NC(=O)CN2CC(S(=O)(=O)CC)C2)cc1	ZINC000852142565	EE	On-Demand	Anodyne	SCN2A	19	46
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc2ccccc12	ZINC000852142615	GF	On-Demand	Reactive	CNR1	15	46
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc2ccccc12	ZINC000852142615	GF	On-Demand	Reactive	CCR3	49	35
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cccc2ccccc12	ZINC000852142615	GF	On-Demand	Reactive	PREP	15	47
O=C(NNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cccc2ccccc12	ZINC000852142648	FD	On-Demand	Reactive	CCR8	50	32
O=C(NNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cccc2ccccc12	ZINC000852142649	FD	On-Demand	Reactive	CCR8	50	32
CCOC(=O)N1CCC(NC(=O)CN2CC(S(=O)(=O)CC)C2)CC1	ZINC000852142721	FB	On-Demand	Anodyne	CCR8	29	42
c1ccc2[nH]c([C@@H]3CCCCN3Cc3ccsc3)nc2c1	ZINC000852142825	CI	On-Demand	Anodyne	KCNN3	36	44
c1ccc2[nH]c([C@H]3CCCCN3Cc3ccsc3)nc2c1	ZINC000852142826	CI	On-Demand	Anodyne	KCNN3	36	44
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN([C@@H]3CCCC[C@H]3O)C2)C1	ZINC000852142864	FG	On-Demand	Anodyne	SLC18A3	23	42
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN([C@@H]3CCCC[C@H]3O)C2)C1	ZINC000852142864	FG	On-Demand	Anodyne	GPR119	42	47
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN([C@@H]3CCCC[C@H]3O)C2)C1	ZINC000852142865	FG	On-Demand	Anodyne	SLC18A3	23	42
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN([C@@H]3CCCC[C@H]3O)C2)C1	ZINC000852142865	FG	On-Demand	Anodyne	GPR119	42	47
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN([C@@H]3CCCC[C@H]3O)C2)C1	ZINC000852142866	FG	On-Demand	Anodyne	SLC18A3	23	42
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN([C@@H]3CCCC[C@H]3O)C2)C1	ZINC000852142866	FG	On-Demand	Anodyne	GPR119	42	47
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN([C@@H]3CCCC[C@H]3O)C2)C1	ZINC000852142867	FG	On-Demand	Anodyne	SLC18A3	23	42
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN([C@@H]3CCCC[C@H]3O)C2)C1	ZINC000852142867	FG	On-Demand	Anodyne	GPR119	42	47
COCCCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2	ZINC000852142872	JI	On-Demand	Anodyne	BCHE	40	33
COCCCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2	ZINC000852142872	JI	On-Demand	Anodyne	TACR3	48	33
COCCCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2	ZINC000852142873	JI	On-Demand	Anodyne	BCHE	40	33
COCCCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2	ZINC000852142873	JI	On-Demand	Anodyne	TACR3	48	33
NC(=O)[C@](O)(CN1CC[C@H]([C@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000852142879	EC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@](O)(CN1CC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000852142880	EC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@](O)(CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000852142881	EC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@](O)(CN1CC[C@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000852142882	EC	On-Demand	Anodyne	CYP2J2	46	33
Cn1cnc(CN2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1	ZINC000852142919	EF	On-Demand	Anodyne	GPR119	41	45
Cn1cnc(CN2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1	ZINC000852142920	EF	On-Demand	Anodyne	GPR119	41	45
Cn1cnc(CN2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1	ZINC000852142921	EF	On-Demand	Anodyne	GPR119	41	45
Cn1cnc(CN2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)c1	ZINC000852142922	EF	On-Demand	Anodyne	GPR119	41	45
Cc1nc(CN2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)co1	ZINC000852142930	EG	On-Demand	Anodyne	GPR119	35	40
Cc1nc(CN2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)co1	ZINC000852142931	EG	On-Demand	Anodyne	GPR119	35	40
Cc1nc(CN2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)co1	ZINC000852142932	EG	On-Demand	Anodyne	GPR119	35	40
Cc1nc(CN2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)co1	ZINC000852142933	EG	On-Demand	Anodyne	GPR119	35	40
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3cccc(F)n3)C2)C1	ZINC000852142954	FH	On-Demand	Anodyne	GPR119	39	42
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3cccc(F)n3)C2)C1	ZINC000852142955	FH	On-Demand	Anodyne	GPR119	39	42
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3cccc(F)n3)C2)C1	ZINC000852142956	FH	On-Demand	Anodyne	GPR119	39	42
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852142986	FH	On-Demand	Anodyne	HRH2	21	40
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852142986	FH	On-Demand	Anodyne	GPR119	36	47
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852142987	FH	On-Demand	Anodyne	HRH2	21	40
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852142987	FH	On-Demand	Anodyne	GPR119	36	47
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852142988	FH	On-Demand	Anodyne	HRH2	21	40
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852142988	FH	On-Demand	Anodyne	GPR119	36	47
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852142989	FH	On-Demand	Anodyne	HRH2	21	40
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3cccc(N)c3)C2)C1	ZINC000852142989	FH	On-Demand	Anodyne	GPR119	36	47
CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2	ZINC000852143024	IJ	On-Demand	Anodyne	TACR3	59	36
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2	ZINC000852143025	IJ	On-Demand	Anodyne	TACR3	59	36
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(Cc3cnc4ccccc4n3)C2)C1	ZINC000852143052	GI	On-Demand	Anodyne	GPR119	45	44
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3cnc4ccccc4n3)C2)C1	ZINC000852143053	GI	On-Demand	Anodyne	GPR119	45	44
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3cnc4ccccc4n3)C2)C1	ZINC000852143054	GI	On-Demand	Anodyne	GPR119	45	44
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3cnc4ccccc4n3)C2)C1	ZINC000852143055	GI	On-Demand	Anodyne	GPR119	45	44
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C[C@H](O)c3ccccn3)C2)C1	ZINC000852143066	GG	On-Demand	Anodyne	GPR119	46	51
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C[C@@H](O)c3ccccn3)C2)C1	ZINC000852143067	GG	On-Demand	Anodyne	GPR119	46	51
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C[C@H](O)c3ccccn3)C2)C1	ZINC000852143068	GG	On-Demand	Anodyne	GPR119	46	51
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C[C@@H](O)c3ccccn3)C2)C1	ZINC000852143069	GG	On-Demand	Anodyne	GPR119	46	51
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143079	FG	On-Demand	Clean	DRD4	27	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143079	FG	On-Demand	Clean	GRIN2B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143079	FG	On-Demand	Clean	SIGMAR1	26	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143079	FG	On-Demand	Clean	CCR3	28	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143079	FG	On-Demand	Clean	EPHX2	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143079	FG	On-Demand	Clean	MCHR1	19	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143080	FG	On-Demand	Clean	DRD4	27	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143080	FG	On-Demand	Clean	GRIN2B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143080	FG	On-Demand	Clean	SIGMAR1	26	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143080	FG	On-Demand	Clean	CCR3	28	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143080	FG	On-Demand	Clean	EPHX2	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143080	FG	On-Demand	Clean	MCHR1	19	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143081	FG	On-Demand	Clean	DRD4	27	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143081	FG	On-Demand	Clean	GRIN2B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143081	FG	On-Demand	Clean	SIGMAR1	26	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143081	FG	On-Demand	Clean	CCR3	28	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143081	FG	On-Demand	Clean	EPHX2	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)C2)cc1	ZINC000852143081	FG	On-Demand	Clean	MCHR1	19	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143082	FG	On-Demand	Clean	DRD4	27	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143082	FG	On-Demand	Clean	GRIN2B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143082	FG	On-Demand	Clean	SIGMAR1	26	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143082	FG	On-Demand	Clean	CCR3	28	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143082	FG	On-Demand	Clean	EPHX2	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)C2)cc1	ZINC000852143082	FG	On-Demand	Clean	MCHR1	19	41
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(CC(=O)Nc3cnccn3)C2)C1	ZINC000852143083	GE	On-Demand	Anodyne	GPR119	37	52
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(CC(=O)Nc3cnccn3)C2)C1	ZINC000852143084	GE	On-Demand	Anodyne	GPR119	37	52
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(CC(=O)Nc3cnccn3)C2)C1	ZINC000852143085	GE	On-Demand	Anodyne	GPR119	37	52
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(CC(=O)Nc3cnccn3)C2)C1	ZINC000852143086	GE	On-Demand	Anodyne	GPR119	37	52
COc1cc(CN2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)on1	ZINC000852143096	FG	On-Demand	Anodyne	GPR119	34	40
COc1cc(CN2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)on1	ZINC000852143097	FG	On-Demand	Anodyne	GPR119	34	40
COc1cc(CN2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)on1	ZINC000852143098	FG	On-Demand	Anodyne	GPR119	34	40
COc1cc(CN2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)on1	ZINC000852143099	FG	On-Demand	Anodyne	GPR119	34	40
O=C1CC[C@H](CN2CCCC[C@H]2c2nc3ccccc3[nH]2)O1	ZINC000852143116	CF	On-Demand	Anodyne	KCNN3	36	45
O=C1CC[C@H](CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)O1	ZINC000852143117	CF	On-Demand	Anodyne	KCNN3	36	45
O=C1CC[C@@H](CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)O1	ZINC000852143118	CF	On-Demand	Anodyne	KCNN3	36	45
O=C1CC[C@@H](CN2CCCC[C@H]2c2nc3ccccc3[nH]2)O1	ZINC000852143119	CF	On-Demand	Anodyne	KCNN3	36	45
Fc1cccc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)n1	ZINC000852143120	DH	On-Demand	Anodyne	KCNN3	35	44
Fc1cccc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1	ZINC000852143121	DH	On-Demand	Anodyne	KCNN3	35	44
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1Cc1ccccc1	ZINC000852143213	GG	On-Demand	Clean	CCR3	18	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1Cc1ccccc1	ZINC000852143213	GG	On-Demand	Clean	STAT6	15	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@H]1Cc1ccccc1	ZINC000852143214	GG	On-Demand	Clean	CCR3	18	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@H]1Cc1ccccc1	ZINC000852143214	GG	On-Demand	Clean	STAT6	15	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H]1Cc1ccccc1	ZINC000852143215	GG	On-Demand	Clean	CCR3	18	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H]1Cc1ccccc1	ZINC000852143215	GG	On-Demand	Clean	STAT6	15	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@@H]1Cc1ccccc1	ZINC000852143216	GG	On-Demand	Clean	CCR3	18	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1C[C@@H]1Cc1ccccc1	ZINC000852143216	GG	On-Demand	Clean	STAT6	15	43
Cn1cc(CCNC(=O)NCCOCCS(C)(=O)=O)c2ccccc21	ZINC000852143247	FD	On-Demand	Anodyne	NQO2	15	43
Cn1cc(CCNC(=O)NCCOCCS(C)(=O)=O)c2ccccc21	ZINC000852143247	FD	On-Demand	Anodyne	MTNR1A	20	43
FC(F)OCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852143272	CG	On-Demand	Anodyne	KCNN3	35	44
FC(F)OCCN1CCCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852143273	CG	On-Demand	Anodyne	KCNN3	35	44
Brc1ncn(CCN2CCCC[C@H]2c2nc3ccccc3[nH]2)n1	ZINC000852143274	GG	On-Demand	Anodyne	KCNN3	33	42
Brc1ncn(CCN2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1	ZINC000852143275	GG	On-Demand	Anodyne	KCNN3	33	42
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(Cc3cnon3)C2)C1	ZINC000852143280	EF	On-Demand	Anodyne	GPR119	35	43
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(Cc3cnon3)C2)C1	ZINC000852143281	EF	On-Demand	Anodyne	GPR119	35	43
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(Cc3cnon3)C2)C1	ZINC000852143282	EF	On-Demand	Anodyne	GPR119	35	43
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(Cc3cnon3)C2)C1	ZINC000852143283	EF	On-Demand	Anodyne	GPR119	35	43
Cc1nc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)no1	ZINC000852143340	FF	On-Demand	Anodyne	ROCK2	17	41
CON1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852143346	BD	On-Demand	Mild	HRH3	17	49
CON1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852143346	BD	On-Demand	Mild	SIGMAR1	23	53
CON1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852143346	BD	On-Demand	Mild	KCNJ1	67	76
O=S1(=O)N=C(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc21	ZINC000852143428	GG	On-Demand	Anodyne	KCNN3	27	40
O=S1(=O)N=C(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc21	ZINC000852143429	GG	On-Demand	Anodyne	KCNN3	27	40
CON1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852143437	BC	On-Demand	Anodyne	SLC18A3	55	57
CON1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000852143462	CE	On-Demand	Mild	ABL2	42	35
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C=CCC1	ZINC000852143463	DF	On-Demand	Bother	LUXR	16	40
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C=CCC1	ZINC000852143464	DF	On-Demand	Bother	LUXR	16	40
CON1CCN(CCN2C[C@H](C)O[C@H](C)C2)CC1	ZINC000852143465	CC	On-Demand	Anodyne	ERG2	18	46
CON1CCN(CCN2C[C@H](C)O[C@H](C)C2)CC1	ZINC000852143465	CC	On-Demand	Anodyne	Q2TU57_MAIZE	20	46
CON1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000852143467	CC	On-Demand	Anodyne	ERG2	18	46
CON1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000852143467	CC	On-Demand	Anodyne	Q2TU57_MAIZE	20	46
CON1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000852143469	CC	On-Demand	Anodyne	ERG2	18	46
CON1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000852143469	CC	On-Demand	Anodyne	Q2TU57_MAIZE	20	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Cc1cccs1	ZINC000852143535	DD	On-Demand	Anodyne	CTSC	27	40
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Cc1cccs1	ZINC000852143536	DD	On-Demand	Anodyne	CTSC	27	40
C#CCOCCN1CCCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852143550	CF	On-Demand	Mild	KCNN3	35	43
C#CCOCCN1CCCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852143551	CF	On-Demand	Mild	KCNN3	35	43
CON1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852143563	BE	On-Demand	Anodyne	DRD2	16	50
CON1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852143563	BE	On-Demand	Anodyne	DRD4	15	43
CON1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852143563	BE	On-Demand	Anodyne	SLC6A3	31	45
CON1CCN(Cc2cccc(C(C)C)c2)CC1	ZINC000852143563	BE	On-Demand	Anodyne	SIGMAR1	24	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3NC(C)=O)C2)cc1	ZINC000852143597	GF	On-Demand	Clean	CCR3	21	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3NC(C)=O)C2)cc1	ZINC000852143597	GF	On-Demand	Clean	MTNR1A	29	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3NC(C)=O)C2)cc1	ZINC000852143597	GF	On-Demand	Clean	MTNR1B	24	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3NC(C)=O)C2)cc1	ZINC000852143597	GF	On-Demand	Clean	EPHX2	22	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3NC(C)=O)C2)cc1	ZINC000852143597	GF	On-Demand	Clean	MCHR1	15	42
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852143606	GG	On-Demand	Bother	LUXR	15	40
COc1cc(CN2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)sn1	ZINC000852143626	GH	On-Demand	Anodyne	GPR119	30	40
COc1cc(CN2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)sn1	ZINC000852143628	GH	On-Demand	Anodyne	GPR119	30	40
COc1cc(CN2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)sn1	ZINC000852143630	GH	On-Demand	Anodyne	GPR119	30	40
COc1cc(CN2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)sn1	ZINC000852143632	GH	On-Demand	Anodyne	GPR119	30	40
CON1CCN(CCCC2CCC2)CC1	ZINC000852143647	BD	On-Demand	Anodyne	EBP	22	54
COc1cccc([C@]2(C)CCN(C(=O)NCCOCCS(C)(=O)=O)C2)c1	ZINC000852143699	GD	On-Demand	Anodyne	DRD4	42	32
CON1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852143745	BD	On-Demand	Mild	PTAFR	39	46
CON1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852143746	BD	On-Demand	Mild	PTAFR	39	46
CON1CCN(CCSc2ccc(F)cc2F)CC1	ZINC000852143751	CE	On-Demand	Anodyne	SLC6A3	23	40
CON1CCN(Cc2cccc(SC)c2)CC1	ZINC000852143811	CE	On-Demand	Anodyne	DRD4	15	40
CON1CCN(Cc2cccc(SC)c2)CC1	ZINC000852143811	CE	On-Demand	Anodyne	SIGMAR1	23	49
O=C(CN1CCCC[C@H]1c1nc2ccccc2[nH]1)Nc1ccc(Cl)nc1	ZINC000852143909	FH	On-Demand	Anodyne	PRCP	51	37
O=C(CN1CCCC[C@H]1c1nc2ccccc2[nH]1)Nc1ccc(Cl)nc1	ZINC000852143909	FH	On-Demand	Anodyne	NR2E3	63	35
O=C(CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)Nc1ccc(Cl)nc1	ZINC000852143910	FH	On-Demand	Anodyne	PRCP	51	37
O=C(CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)Nc1ccc(Cl)nc1	ZINC000852143910	FH	On-Demand	Anodyne	NR2E3	63	35
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143912	FE	On-Demand	Anodyne	PRCP	47	40
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143912	FE	On-Demand	Anodyne	KCNN3	29	43
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143912	FE	On-Demand	Anodyne	PARP1	18	48
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143913	FE	On-Demand	Anodyne	PRCP	47	40
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143913	FE	On-Demand	Anodyne	KCNN3	29	43
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143913	FE	On-Demand	Anodyne	PARP1	18	48
NC(=O)[C@](O)(CN1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143914	FE	On-Demand	Anodyne	PRCP	47	40
NC(=O)[C@](O)(CN1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143914	FE	On-Demand	Anodyne	KCNN3	29	43
NC(=O)[C@](O)(CN1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143914	FE	On-Demand	Anodyne	PARP1	18	48
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143915	FE	On-Demand	Anodyne	PRCP	47	40
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143915	FE	On-Demand	Anodyne	KCNN3	29	43
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1	ZINC000852143915	FE	On-Demand	Anodyne	PARP1	18	48
C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)Cc1cccs1	ZINC000852143953	GH	On-Demand	Anodyne	PAPA1_CARPA	18	44
CON1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000852143956	DG	On-Demand	Anodyne	SIGMAR1	22	45
COCCCN(C)CCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852143981	FE	On-Demand	Anodyne	MTNR1A	15	43
COCCCN(C)CCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852143982	FE	On-Demand	Anodyne	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOc4cc(OC)ccc43)C2)cc1	ZINC000852144008	GG	On-Demand	Clean	MTNR1A	28	50
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOc4cc(OC)ccc43)C2)cc1	ZINC000852144008	GG	On-Demand	Clean	MTNR1B	24	50
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOc4cc(OC)ccc43)C2)cc1	ZINC000852144008	GG	On-Demand	Clean	MCHR1	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOc4cc(OC)ccc43)C2)cc1	ZINC000852144010	GG	On-Demand	Clean	MTNR1A	28	50
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOc4cc(OC)ccc43)C2)cc1	ZINC000852144010	GG	On-Demand	Clean	MTNR1B	24	50
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOc4cc(OC)ccc43)C2)cc1	ZINC000852144010	GG	On-Demand	Clean	MCHR1	16	40
CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN([C@@H]3CCC[C@H]3O)C2)C1	ZINC000852144034	EF	On-Demand	Anodyne	GPR119	43	47
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN([C@@H]3CCC[C@H]3O)C2)C1	ZINC000852144035	EF	On-Demand	Anodyne	GPR119	43	47
CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN([C@@H]3CCC[C@H]3O)C2)C1	ZINC000852144036	EF	On-Demand	Anodyne	GPR119	43	47
CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN([C@@H]3CCC[C@H]3O)C2)C1	ZINC000852144037	EF	On-Demand	Anodyne	GPR119	43	47
c1ccc2[nH]c([C@@H]3CCCCN3Cc3cnon3)nc2c1	ZINC000852144044	CF	On-Demand	Anodyne	KCNN3	35	44
c1ccc2[nH]c([C@H]3CCCCN3Cc3cnon3)nc2c1	ZINC000852144045	CF	On-Demand	Anodyne	KCNN3	35	44
CCOP(=O)(OCC)[C@@H](O)CN1CCCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852144065	GH	On-Demand	Anodyne	KCNN3	26	40
CCOP(=O)(OCC)[C@@H](O)CN1CCCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852144066	GH	On-Demand	Anodyne	KCNN3	26	40
CCOP(=O)(OCC)[C@H](O)CN1CCCC[C@H]1c1nc2ccccc2[nH]1	ZINC000852144067	GH	On-Demand	Anodyne	KCNN3	26	40
CCOP(=O)(OCC)[C@H](O)CN1CCCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000852144068	GH	On-Demand	Anodyne	KCNN3	26	40
CON1CCN(CCc2nsc3ccccc23)CC1	ZINC000852144180	CE	On-Demand	Anodyne	HTR1A	23	42
CON1CCN(CCc2nsc3ccccc23)CC1	ZINC000852144180	CE	On-Demand	Anodyne	DRD2	27	40
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(OC)CC1	ZINC000852144189	CD	On-Demand	Anodyne	SLC6A3	16	44
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(OC)CC1	ZINC000852144189	CD	On-Demand	Anodyne	NPY2R	26	44
CON1CCN(Cc2cccc(N)c2)CC1	ZINC000852144191	BC	On-Demand	Anodyne	DRD2	17	40
CON1CCN(Cc2cccc(N)c2)CC1	ZINC000852144191	BC	On-Demand	Anodyne	DRD4	20	42
CON1CCN(Cc2cccc(N)c2)CC1	ZINC000852144191	BC	On-Demand	Anodyne	SIGMAR1	32	51
C[C@@H](CNC(=O)N[C@H]1C=CCC1)Cc1cccs1	ZINC000852144196	CF	On-Demand	Anodyne	CTSC	36	40
Cc1ccccc1CNC(=O)[C@H](C)ON=Cc1ccc(Br)cc1	ZINC000852144207	GH	On-Demand	Mild	AMP1_PLAFQ	17	44
Cc1ccccc1CNC(=O)[C@@H](C)ON=Cc1ccc(Br)cc1	ZINC000852144208	GH	On-Demand	Mild	AMP1_PLAFQ	17	44
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852144221	GF	On-Demand	Bother	LUXR	17	42
O[C@@H](CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccn1	ZINC000852144302	DG	On-Demand	Anodyne	KCNN3	31	42
O[C@H](CN1CCCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccn1	ZINC000852144303	DG	On-Demand	Anodyne	KCNN3	31	42
O[C@@H](CN1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccn1	ZINC000852144304	DG	On-Demand	Anodyne	KCNN3	31	42
O[C@H](CN1CCCC[C@H]1c1nc2ccccc2[nH]1)c1ccccn1	ZINC000852144305	DG	On-Demand	Anodyne	KCNN3	31	42
COCCN(CCF)C(=O)NCCCN1C(=O)COc2ccccc21	ZINC000852144345	FD	On-Demand	Anodyne	DRD2	16	40
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=Cc2ccc(Br)cc2)c1	ZINC000852144400	HH	On-Demand	Mild	KCNK3	44	33
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=Cc2ccc(Br)cc2)c1	ZINC000852144400	HH	On-Demand	Mild	KCNK9	43	33
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=Cc2ccc(Br)cc2)c1	ZINC000852144401	HH	On-Demand	Mild	KCNK3	44	33
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=Cc2ccc(Br)cc2)c1	ZINC000852144401	HH	On-Demand	Mild	KCNK9	43	33
Brc1ccc(C=NOCc2ccc(-n3cccn3)cc2)cc1	ZINC000852144410	FI	On-Demand	Mild	AMP1_PLAFQ	41	34
Cc1c(NC(=O)[C@@H](C)ON=Cc2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000852144432	HI	On-Demand	Mild	COLA	60	39
Cc1c(NC(=O)[C@H](C)ON=Cc2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000852144433	HI	On-Demand	Mild	COLA	60	39
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852144521	GE	On-Demand	Bother	LUXR	17	42
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852144522	GE	On-Demand	Bother	LUXR	17	42
CC(=O)Nc1ccccc1CNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852144536	GG	On-Demand	Anodyne	KCNQ2	63	37
COc1cccc(SCCN2CCN(OC)CC2)c1	ZINC000852144558	CD	On-Demand	Anodyne	DRD4	47	35
CON1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852144561	BC	On-Demand	Anodyne	SLC18A3	49	52
COc1ccc(NC(=O)[C@H](C)ON=Cc2ccc(Br)cc2)c(OC)c1	ZINC000852144618	HH	On-Demand	Mild	CYP1B1	16	44
C[C@H](CNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)Cc1cccs1	ZINC000852144658	GH	On-Demand	Anodyne	PAPA1_CARPA	16	46
C[C@@H](CNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)Cc1cccs1	ZINC000852144660	GH	On-Demand	Anodyne	PAPA1_CARPA	16	46
Cc1cc(O)nc(C(C)(C)NC[C@@H]2CC(c3ccc(Cl)cc3)=NO2)n1	ZINC000852144687	FG	On-Demand	Anodyne	LUCI_PHOPY	67	42
Cc1cc(O)nc(C(C)(C)NC[C@H]2CC(c3ccc(Cl)cc3)=NO2)n1	ZINC000852144688	FG	On-Demand	Anodyne	LUCI_PHOPY	67	42
CON1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852144760	CE	On-Demand	Anodyne	HTR1A	18	50
CON1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852144760	CE	On-Demand	Anodyne	DRD2	15	50
CON1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852144760	CE	On-Demand	Anodyne	SIGMAR1	29	50
CON1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852144760	CE	On-Demand	Anodyne	EBP	38	50
CON1CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852144760	CE	On-Demand	Anodyne	ACHP_LYMST	28	43
CON1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852144762	CE	On-Demand	Anodyne	HTR1A	18	50
CON1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852144762	CE	On-Demand	Anodyne	DRD2	15	50
CON1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852144762	CE	On-Demand	Anodyne	SIGMAR1	29	50
CON1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852144762	CE	On-Demand	Anodyne	EBP	38	50
CON1CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852144762	CE	On-Demand	Anodyne	ACHP_LYMST	28	43
COC(=O)c1nc(CNC(=O)NC[C@H](C)Cc2cccs2)ccc1Cl	ZINC000852144836	GG	On-Demand	Anodyne	BMP1	19	42
COCCCN(C)CCNC(=O)NNc1ccc(Cl)cn1	ZINC000852144860	DD	On-Demand	Reactive	F10	49	34
CON1CCN(Cc2nsc3ccccc23)CC1	ZINC000852144888	CD	On-Demand	Anodyne	DRD2	20	40
Cc1cc(O)nc(C(C)(C)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000852144940	FF	On-Demand	Anodyne	GPR119	34	41
Cc1cc(O)nc(C(C)(C)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000852144941	FF	On-Demand	Anodyne	GPR119	34	41
Cc1ccc(NC(=O)CON=Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000852144948	IG	On-Demand	Mild	NR1H4	17	41
Cc1ccc(NC(=O)CON=Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000852144948	IG	On-Demand	Mild	EPHX2	16	43
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=Cc2ccc(C(C)C)cc2)c1	ZINC000852145034	FI	On-Demand	Mild	KCNK3	51	34
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=Cc2ccc(C(C)C)cc2)c1	ZINC000852145034	FI	On-Demand	Mild	KCNK9	44	34
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=Cc2ccc(C(C)C)cc2)c1	ZINC000852145036	FI	On-Demand	Mild	KCNK3	51	34
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=Cc2ccc(C(C)C)cc2)c1	ZINC000852145036	FI	On-Demand	Mild	KCNK9	44	34
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NNc1ccc(Cl)cn1	ZINC000852145040	FG	On-Demand	Reactive	SCNN1A	46	32
Cc1cc(O)nc(C(C)(C)NCC2CCN(C(=O)OCc3ccccc3)CC2)n1	ZINC000852145072	GG	On-Demand	Anodyne	P2RY12	60	37
Cc1cc(O)nc(C(C)(C)NCC2CCN(C(=O)OCc3ccccc3)CC2)n1	ZINC000852145072	GG	On-Demand	Anodyne	GRIN2B	71	56
Cc1cc(O)nc(C(C)(C)NCC2CCN(C(=O)OCc3ccccc3)CC2)n1	ZINC000852145072	GG	On-Demand	Anodyne	TGM2	33	43
Cc1cc(O)nc(C(C)(C)NCC2CCN(C(=O)OCc3ccccc3)CC2)n1	ZINC000852145072	GG	On-Demand	Anodyne	F13A1	39	43
Cc1cc(O)nc(C(C)(C)NCC2CCN(C(=O)OCc3ccccc3)CC2)n1	ZINC000852145072	GG	On-Demand	Anodyne	VCP	43	34
Cc1cc(O)nc(C(C)(C)NC[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)CC2)n1	ZINC000852145109	GH	On-Demand	Anodyne	ACACB	15	44
CCOP(=O)(OCC)[C@@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1	ZINC000852145146	GH	On-Demand	Anodyne	GRIN2B	16	43
CCOP(=O)(OCC)[C@@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1	ZINC000852145146	GH	On-Demand	Anodyne	CCR3	40	40
CCOP(=O)(OCC)[C@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1	ZINC000852145147	GH	On-Demand	Anodyne	GRIN2B	16	43
CCOP(=O)(OCC)[C@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1	ZINC000852145147	GH	On-Demand	Anodyne	CCR3	40	40
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145219	FF	On-Demand	Anodyne	ACHE	28	41
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145219	FF	On-Demand	Anodyne	HRH1	17	42
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145219	FF	On-Demand	Anodyne	GRIN2B	71	40
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145219	FF	On-Demand	Anodyne	SIGMAR1	37	42
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145219	FF	On-Demand	Anodyne	CCR3	71	43
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145219	FF	On-Demand	Anodyne	CYP2J2	50	35
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145220	FF	On-Demand	Anodyne	ACHE	28	41
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145220	FF	On-Demand	Anodyne	HRH1	17	42
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145220	FF	On-Demand	Anodyne	GRIN2B	71	40
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145220	FF	On-Demand	Anodyne	SIGMAR1	37	42
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145220	FF	On-Demand	Anodyne	CCR3	71	43
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccc1	ZINC000852145220	FF	On-Demand	Anodyne	CYP2J2	50	35
Cc1cccc(C(=O)NNC(=O)CNC(C)(C)c2nc(C)cc(O)n2)c1	ZINC000852145235	FD	On-Demand	Reactive	KCNK3	54	38
Cc1cccc(C(=O)NNC(=O)CNC(C)(C)c2nc(C)cc(O)n2)c1	ZINC000852145235	FD	On-Demand	Reactive	KCNK9	43	38
O=C(CON=Cc1ccc(F)cc1)NCC1CCCCC1	ZINC000852145268	CF	On-Demand	Mild	CACNA1I	21	40
O=C(CON=Cc1ccc(F)cc1)NC1CCCCCCC1	ZINC000852145333	DG	On-Demand	Mild	EPHX2	17	44
O[C@@H](CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccn1	ZINC000852145347	EG	On-Demand	Anodyne	GRIN2B	43	48
O[C@@H](CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccn1	ZINC000852145347	EG	On-Demand	Anodyne	SIGMAR1	19	41
O[C@@H](CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccn1	ZINC000852145347	EG	On-Demand	Anodyne	CCR3	34	46
O[C@@H](CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccn1	ZINC000852145347	EG	On-Demand	Anodyne	GRIN2C	21	48
O[C@H](CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccn1	ZINC000852145348	EG	On-Demand	Anodyne	GRIN2B	43	48
O[C@H](CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccn1	ZINC000852145348	EG	On-Demand	Anodyne	SIGMAR1	19	41
O[C@H](CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccn1	ZINC000852145348	EG	On-Demand	Anodyne	CCR3	34	46
O[C@H](CN1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccccn1	ZINC000852145348	EG	On-Demand	Anodyne	GRIN2C	21	48
Cc1cc(O)nc(C(C)(C)NCc2cccc([N+](=O)[O-])c2Br)n1	ZINC000852145357	GG	On-Demand	Bother	COLA	44	31
Cc1cc(O)nc(C(C)(C)NCc2cc(Cl)nc3ccccc23)n1	ZINC000852145358	EH	On-Demand	Anodyne	METG	54	36
Cc1cc(O)nc(C(C)(C)NCCCC2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000852145387	GH	On-Demand	Anodyne	GPR119	42	48
CC(C)(C)CC(C)(C)N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852145418	FE	On-Demand	Anodyne	CHRM3	21	41
CC(C)(C)CC(C)(C)N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852145419	FE	On-Demand	Anodyne	CHRM3	21	41
Cc1cc(O)nc(C(C)(C)NCCC2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000852145420	GG	On-Demand	Anodyne	GPR119	45	45
O=C(CON=Cc1ccc(F)cc1)NCCCc1ccccc1	ZINC000852145498	DF	On-Demand	Mild	HRH2	18	40
O=C(CON=Cc1ccc(F)cc1)NCCCc1ccccc1	ZINC000852145498	DF	On-Demand	Mild	AMP1_PLAFQ	30	41
O=C(CON=Cc1ccc(F)cc1)NCCCc1ccccc1	ZINC000852145498	DF	On-Demand	Mild	CRTM	39	40
CN(Cc1cnc[nH]1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852145546	FF	On-Demand	Anodyne	TAAR1	24	42
CN(Cc1cnc[nH]1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852145547	FF	On-Demand	Anodyne	TAAR1	24	42
O[C@@H](CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccn1	ZINC000852145548	EG	On-Demand	Anodyne	DRD4	15	42
O[C@H](CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccn1	ZINC000852145549	EG	On-Demand	Anodyne	DRD4	15	42
COC(=O)N(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C	ZINC000852145573	FG	On-Demand	Anodyne	UTS2	42	33
COC(=O)N(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C	ZINC000852145574	FG	On-Demand	Anodyne	UTS2	42	33
COC(=O)N(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C	ZINC000852145575	FG	On-Demand	Anodyne	UTS2	42	33
COC(=O)N(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C	ZINC000852145576	FG	On-Demand	Anodyne	UTS2	42	33
NC(=O)[C@](O)(CN1CCC(Cc2c(F)cccc2F)CC1)c1ccccc1	ZINC000852145577	FF	On-Demand	Anodyne	SIGMAR1	21	41
NC(=O)[C@](O)(CN1CCC(Cc2c(F)cccc2F)CC1)c1ccccc1	ZINC000852145577	FF	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@@](O)(CN1CCC(Cc2c(F)cccc2F)CC1)c1ccccc1	ZINC000852145578	FF	On-Demand	Anodyne	SIGMAR1	21	41
NC(=O)[C@@](O)(CN1CCC(Cc2c(F)cccc2F)CC1)c1ccccc1	ZINC000852145578	FF	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@](O)(CN1CCC(Cc2cccc(F)c2F)CC1)c1ccccc1	ZINC000852145638	FF	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@@](O)(CN1CCC(Cc2cccc(F)c2F)CC1)c1ccccc1	ZINC000852145639	FF	On-Demand	Anodyne	CYP2J2	46	33
Cc1cnc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)s1	ZINC000852145763	GH	On-Demand	Anodyne	ROCK2	25	40
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(C)c1	ZINC000852145809	DD	On-Demand	Anodyne	MTNR1A	20	47
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(C)c1	ZINC000852145809	DD	On-Demand	Anodyne	MTNR1B	17	47
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(C)c1	ZINC000852145810	DD	On-Demand	Anodyne	MTNR1A	20	47
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(C)c1	ZINC000852145810	DD	On-Demand	Anodyne	MTNR1B	17	47
CC[C@H](NC(=O)CON=Cc1ccccc1F)c1ccc(Cl)cc1	ZINC000852145827	EI	On-Demand	Mild	UTS2	44	35
CC[C@@H](NC(=O)CON=Cc1ccccc1F)c1ccc(Cl)cc1	ZINC000852145828	EI	On-Demand	Mild	UTS2	44	35
O=C(CON=Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852145872	HF	On-Demand	Mild	F13A1	58	43
O=C(CON=Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852145872	HF	On-Demand	Mild	NAMPT	15	41
O=C(CON=Cc1ccc(F)cc1)NC1CCCCC1	ZINC000852146001	CF	On-Demand	Mild	EPHX2	17	44
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146008	FF	On-Demand	Anodyne	HTR2A	22	41
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146008	FF	On-Demand	Anodyne	SIGMAR1	24	45
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146008	FF	On-Demand	Anodyne	CCR3	62	41
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146008	FF	On-Demand	Anodyne	DPP4	18	40
NC(=O)[C@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146008	FF	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146010	FF	On-Demand	Anodyne	HTR2A	22	41
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146010	FF	On-Demand	Anodyne	SIGMAR1	24	45
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146010	FF	On-Demand	Anodyne	CCR3	62	41
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146010	FF	On-Demand	Anodyne	DPP4	18	40
NC(=O)[C@@](O)(CN1CCC(Cc2cc(F)ccc2F)CC1)c1ccccc1	ZINC000852146010	FF	On-Demand	Anodyne	CYP2J2	46	33
CC[C@@H](C)c1ccc(NC(=O)CON=Cc2ccc(F)cc2)cc1	ZINC000852146162	EI	On-Demand	Mild	FAAH	17	45
O[C@H](CN1CCC(Cc2cccc(F)c2F)CC1)c1ccccn1	ZINC000852146191	EG	On-Demand	Anodyne	SCN5A	28	41
O[C@@H](CN1CCC(Cc2cccc(F)c2F)CC1)c1ccccn1	ZINC000852146192	EG	On-Demand	Anodyne	SCN5A	28	41
C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852146196	JI	On-Demand	Anodyne	KCNQ2	18	42
CN(Cc1csc(C(C)(C)O)n1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852146221	ED	On-Demand	Anodyne	AMY2	53	32
CN(Cc1csc(C(C)(C)O)n1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852146222	ED	On-Demand	Anodyne	AMY2	53	32
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H]1COC(C)(C)C1)c1ccccc1	ZINC000852146258	GG	On-Demand	Anodyne	SOAT1	17	52
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H]1COC(C)(C)C1)c1ccccc1	ZINC000852146259	GG	On-Demand	Anodyne	SOAT1	17	52
Cc1ccncc1CCNC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	ZINC000852146303	GG	On-Demand	Anodyne	GPR119	18	41
CC(C)(C)OC(=O)N1CCO[C@@H](CNC2(Cc3ccccc3)CCOCC2)C1	ZINC000852146317	GG	On-Demand	Anodyne	SLC12A5	48	36
CC(C)(C)OC(=O)N1CCO[C@H](CNC2(Cc3ccccc3)CCOCC2)C1	ZINC000852146318	GG	On-Demand	Anodyne	SLC12A5	48	36
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H](CO)C1CCC1)c1ccccc1	ZINC000852146332	GF	On-Demand	Anodyne	SOAT1	22	56
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H](CO)C1CCC1)c1ccccc1	ZINC000852146332	GF	On-Demand	Anodyne	REN	48	40
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H](CO)C1CCC1)c1ccccc1	ZINC000852146332	GF	On-Demand	Anodyne	FPR1	41	38
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852146334	GF	On-Demand	Anodyne	SOAT1	22	56
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852146334	GF	On-Demand	Anodyne	REN	48	40
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852146334	GF	On-Demand	Anodyne	FPR1	41	38
C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1ncccn1)c1ccc(Cl)cc1	ZINC000852146340	EG	On-Demand	Anodyne	AKT3	42	32
C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1ncccn1)c1ccc(Cl)cc1	ZINC000852146341	EG	On-Demand	Anodyne	AKT3	42	32
C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1ncccn1)c1ccc(Cl)cc1	ZINC000852146342	EG	On-Demand	Anodyne	AKT3	42	32
C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1ncccn1)c1ccc(Cl)cc1	ZINC000852146343	EG	On-Demand	Anodyne	AKT3	42	32
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)N1CC[C@H]3C[C@H]3C1)C2	ZINC000852146354	EF	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)N1CC[C@@H]3C[C@@H]3C1)C2	ZINC000852146355	EF	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)N1CC[C@@H]3C[C@H]3C1)C2	ZINC000852146356	EF	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)N1CC[C@H]3C[C@@H]3C1)C2	ZINC000852146357	EF	On-Demand	Anodyne	GPR119	23	40
O=C(CON=Cc1ccc(F)cc1)NC1CCCCCC1	ZINC000852146361	CG	On-Demand	Mild	EPHX2	17	44
Cc1cc(O)nc(C(C)(C)NC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1	ZINC000852146405	GG	On-Demand	Anodyne	CASR	26	45
Cc1cc(O)nc(C(C)(C)NC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1	ZINC000852146406	GG	On-Demand	Anodyne	CASR	26	45
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1	ZINC000852146407	GG	On-Demand	Anodyne	CASR	26	45
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1	ZINC000852146408	GG	On-Demand	Anodyne	CASR	26	45
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2ccc(Cl)cc2)n1	ZINC000852146443	FE	On-Demand	Anodyne	ADRB2	23	46
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2ccc(Cl)cc2)n1	ZINC000852146444	FE	On-Demand	Anodyne	ADRB2	23	46
Cc1cc(O)nc(C(C)(C)NCCC(=O)Nc2ccc(N3CCOCC3)cc2)n1	ZINC000852146445	GE	On-Demand	Anodyne	MTOR	73	37
Cc1cc(O)nc(C(C)(C)NCCC(=O)Nc2ccc(N3CCOCC3)cc2)n1	ZINC000852146445	GE	On-Demand	Anodyne	STAT6	54	34
CC[C@H](NC(=O)CON=Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(Cl)cc1	ZINC000852146529	IJ	On-Demand	Mild	PDE10A	15	45
CC[C@@H](NC(=O)CON=Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(Cl)cc1	ZINC000852146531	IJ	On-Demand	Mild	PDE10A	15	45
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H]1CCNC1=O)c1ccccc1	ZINC000852146542	FD	On-Demand	Anodyne	SOAT1	19	53
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H]1CCNC1=O)c1ccccc1	ZINC000852146542	FD	On-Demand	Anodyne	REN	32	40
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H]1CCNC1=O)c1ccccc1	ZINC000852146544	FD	On-Demand	Anodyne	SOAT1	19	53
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H]1CCNC1=O)c1ccccc1	ZINC000852146544	FD	On-Demand	Anodyne	REN	32	40
O=C(CON=Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1	ZINC000852146558	FH	On-Demand	Mild	GRIN2B	88	51
O=C(CON=Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1	ZINC000852146558	FH	On-Demand	Mild	SIGMAR1	26	41
O=C(CON=Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1	ZINC000852146558	FH	On-Demand	Mild	CCR3	66	48
O=C(CON=Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1	ZINC000852146558	FH	On-Demand	Mild	MLNR	15	43
O=C(CON=Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1	ZINC000852146558	FH	On-Demand	Mild	AMP1_PLAFQ	18	44
C=CCCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852146606	EG	On-Demand	Mild	PAPA1_CARPA	34	41
C=CCCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852146606	EG	On-Demand	Mild	CTSK	15	48
C=CCCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852146606	EG	On-Demand	Mild	SOAT1	24	59
C=CCCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852146606	EG	On-Demand	Mild	FPR1	42	34
C=CCCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852146608	EG	On-Demand	Mild	PAPA1_CARPA	34	41
C=CCCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852146608	EG	On-Demand	Mild	CTSK	15	48
C=CCCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852146608	EG	On-Demand	Mild	SOAT1	24	59
C=CCCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852146608	EG	On-Demand	Mild	FPR1	42	34
O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852146614	GG	On-Demand	Anodyne	EPHX2	24	42
Cc1ccc(NC(=O)CON=Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCCC1	ZINC000852146636	IH	On-Demand	Mild	NR1H4	17	41
Cc1ccc(NC(=O)CON=Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCCC1	ZINC000852146636	IH	On-Demand	Mild	EPHX2	16	43
O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(N2CCCCC2)nc1	ZINC000852146637	JH	On-Demand	Anodyne	DGAT1	44	44
Cc1cc(O)nc(C(C)(C)NCC2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000852146643	FF	On-Demand	Anodyne	GRIN2B	21	40
Cc1cc(O)nc(C(C)(C)NCC2CCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000852146643	FF	On-Demand	Anodyne	GPR119	46	45
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2ccc3ccccc3c2)n1	ZINC000852146656	FF	On-Demand	Anodyne	ADRB2	32	53
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2ccc3ccccc3c2)n1	ZINC000852146656	FF	On-Demand	Anodyne	CASR	45	41
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2ccc3ccccc3c2)n1	ZINC000852146656	FF	On-Demand	Anodyne	CYP2D6	23	45
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2ccc3ccccc3c2)n1	ZINC000852146657	FF	On-Demand	Anodyne	ADRB2	32	53
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2ccc3ccccc3c2)n1	ZINC000852146657	FF	On-Demand	Anodyne	CASR	45	41
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2ccc3ccccc3c2)n1	ZINC000852146657	FF	On-Demand	Anodyne	CYP2D6	23	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC(C)(C)OC)C2)cc1	ZINC000852146664	EF	On-Demand	Clean	BIRC2	17	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CC(C)(C)OC)C2)cc1	ZINC000852146665	EF	On-Demand	Clean	BIRC2	17	40
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)NCc1ncccn1)C2	ZINC000852146695	FE	On-Demand	Anodyne	GPR119	22	44
COC1CC(CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1	ZINC000852146716	GG	On-Demand	Anodyne	SOAT1	20	54
COC1CC(CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1	ZINC000852146717	GG	On-Demand	Anodyne	SOAT1	20	54
O=C(CON=Cc1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2	ZINC000852146813	EG	On-Demand	Mild	EPHX2	80	46
COCCN(CCF)C(=O)NC[C@H](OC)c1ccc(Cl)cc1	ZINC000852146831	EF	On-Demand	Anodyne	UTS2	41	33
COCCN(CCF)C(=O)NC[C@@H](OC)c1ccc(Cl)cc1	ZINC000852146832	EF	On-Demand	Anodyne	UTS2	41	33
O=C(CON=Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852146835	HD	On-Demand	Mild	TGM2	29	41
O=C(CON=Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852146835	HD	On-Demand	Mild	F13A1	49	41
COC(=O)c1ccc(OC[C@@H](O)CNC(C)(C)c2nc(C)cc(O)n2)cc1	ZINC000852146836	GD	On-Demand	Anodyne	ADRB2	32	44
COC(=O)c1ccc(OC[C@H](O)CNC(C)(C)c2nc(C)cc(O)n2)cc1	ZINC000852146837	GD	On-Demand	Anodyne	ADRB2	32	44
Cc1cc(O)nc(C(C)(C)NCC(=O)Nc2cccnc2Cl)n1	ZINC000852146862	EE	On-Demand	Anodyne	G2YM83_BOTF4	56	31
Cc1cc(O)nc(C(C)(C)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000852146877	FF	On-Demand	Anodyne	GPR119	37	41
Cc1cc(O)nc(C(C)(C)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000852146878	FF	On-Demand	Anodyne	GPR119	37	41
Cc1cnc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1	ZINC000852146893	FE	On-Demand	Clean	STAT6	18	40
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1	ZINC000852146900	GH	On-Demand	Mild	PAPA1_CARPA	37	41
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1	ZINC000852146900	GH	On-Demand	Mild	REN	57	40
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1	ZINC000852146900	GH	On-Demand	Mild	CTSS	16	43
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1	ZINC000852146903	GH	On-Demand	Mild	PAPA1_CARPA	37	41
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1	ZINC000852146903	GH	On-Demand	Mild	REN	57	40
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1	ZINC000852146903	GH	On-Demand	Mild	CTSS	16	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ncc(C)s3)C2)cc1	ZINC000852146949	EF	On-Demand	Clean	NPBWR1	59	33
COc1ccc(N2CC[C@H](NC(=O)NCc3ncc(C)s3)C2)cc1	ZINC000852146949	EF	On-Demand	Clean	PARE	50	31
CCOP(=O)(OCC)[C@@H](O)CN1CCC(Cc2cc(F)ccc2F)CC1	ZINC000852146960	GH	On-Demand	Anodyne	CCR3	37	41
CCOP(=O)(OCC)[C@H](O)CN1CCC(Cc2cc(F)ccc2F)CC1	ZINC000852146961	GH	On-Demand	Anodyne	CCR3	37	41
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852146975	HD	On-Demand	Mild	TGM2	63	46
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852146975	HD	On-Demand	Mild	F13A1	89	46
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852146975	HD	On-Demand	Mild	MERTK	28	43
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852146975	HD	On-Demand	Mild	NAMPT	24	42
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2c(C)cccc2C)n1	ZINC000852146982	EE	On-Demand	Anodyne	ADRB2	19	40
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2c(C)cccc2C)n1	ZINC000852146983	EE	On-Demand	Anodyne	ADRB2	19	40
CC(=O)Nc1ccc2c(CNC(C)(C)c3nc(C)cc(O)n3)cc(=O)oc2c1	ZINC000852146984	GF	On-Demand	Anodyne	HSD17B3	20	41
COc1ccc(N2CCN(C(=O)CNC(C)(C)c3nc(C)cc(O)n3)CC2)cc1	ZINC000852147015	GD	On-Demand	Clean	CCR1	26	42
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2cccc3ccccc23)n1	ZINC000852147098	FF	On-Demand	Anodyne	ADRB2	27	54
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2cccc3ccccc23)n1	ZINC000852147098	FF	On-Demand	Anodyne	ADRB1	22	52
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2cccc3ccccc23)n1	ZINC000852147098	FF	On-Demand	Anodyne	CASR	44	41
Cc1cc(O)nc(C(C)(C)NC[C@H](O)COc2cccc3ccccc23)n1	ZINC000852147098	FF	On-Demand	Anodyne	CYP2D6	27	50
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2cccc3ccccc23)n1	ZINC000852147100	FF	On-Demand	Anodyne	ADRB2	27	54
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2cccc3ccccc23)n1	ZINC000852147100	FF	On-Demand	Anodyne	ADRB1	22	52
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2cccc3ccccc23)n1	ZINC000852147100	FF	On-Demand	Anodyne	CASR	44	41
Cc1cc(O)nc(C(C)(C)NC[C@@H](O)COc2cccc3ccccc23)n1	ZINC000852147100	FF	On-Demand	Anodyne	CYP2D6	27	50
C[C@@H](CCc1cccn1C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852147155	GF	On-Demand	Clean	CCR3	49	35
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852147172	JE	On-Demand	Mild	NR1H4	18	42
Cc1cc(O)nc(C(C)(C)NCC(=O)Nc2ccc3ccccc3c2)n1	ZINC000852147190	FG	On-Demand	Anodyne	IMDH_CRYPV	31	41
CC(=O)c1cccc(NC(=O)CON=Cc2ccc(F)cc2)c1	ZINC000852147258	DG	On-Demand	Mild	CCR3	27	42
CC(=O)c1cccc(NC(=O)CON=Cc2ccc(F)cc2)c1	ZINC000852147258	DG	On-Demand	Mild	KCNK3	60	40
CC(=O)c1cccc(NC(=O)CON=Cc2ccc(F)cc2)c1	ZINC000852147258	DG	On-Demand	Mild	KCNK9	60	35
Cc1cc(O)nc(C(C)(C)NCCOc2ccc3c(C)cc(=O)oc3c2)n1	ZINC000852147273	FF	On-Demand	Anodyne	MAOA	73	48
Cc1cc(O)nc(C(C)(C)NCCOc2ccc3c(C)cc(=O)oc3c2)n1	ZINC000852147273	FF	On-Demand	Anodyne	ACHE	17	43
Cc1cc(O)nc(C(C)(C)NCCOc2ccc3c(C)cc(=O)oc3c2)n1	ZINC000852147273	FF	On-Demand	Anodyne	MAOB	53	49
Cc1cc(O)nc(C(C)(C)NCCOc2ccc3c(C)cc(=O)oc3c2)n1	ZINC000852147273	FF	On-Demand	Anodyne	BCHE	19	42
COc1cccc(O[C@@H](C)CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852147284	FF	On-Demand	Anodyne	MTNR1A	41	56
COc1cccc(O[C@@H](C)CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852147284	FF	On-Demand	Anodyne	MTNR1B	36	56
COc1cccc(O[C@H](C)CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852147285	FF	On-Demand	Anodyne	MTNR1A	41	56
COc1cccc(O[C@H](C)CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852147285	FF	On-Demand	Anodyne	MTNR1B	36	56
CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C[C@H](O)c3ccccn3)[C@@H]2C1	ZINC000852147345	EE	On-Demand	Anodyne	GPR119	35	48
CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C[C@@H](O)c3ccccn3)[C@@H]2C1	ZINC000852147346	EE	On-Demand	Anodyne	GPR119	35	48
C#CCOCCN1CCC[C@H]1c1ccc(F)cc1C	ZINC000852147359	CF	On-Demand	Mild	SLC6A1	21	41
C#CCOCCN1CCC[C@@H]1c1ccc(F)cc1C	ZINC000852147360	CF	On-Demand	Mild	SLC6A1	21	41
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC[C@@]1(C)CC1(F)F)c1ccccc1	ZINC000852147361	GH	On-Demand	Anodyne	SOAT1	21	58
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC[C@@]1(C)CC1(F)F)c1ccccc1	ZINC000852147361	GH	On-Demand	Anodyne	FPR1	42	34
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC[C@]1(C)CC1(F)F)c1ccccc1	ZINC000852147363	GH	On-Demand	Anodyne	SOAT1	21	58
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC[C@]1(C)CC1(F)F)c1ccccc1	ZINC000852147363	GH	On-Demand	Anodyne	FPR1	42	34
Cc1cc(O)nc(C(C)(C)NCc2cc(=O)oc3cc(O)ccc23)n1	ZINC000852147384	EE	On-Demand	Anodyne	HSD17B3	42	55
CCC(CC)c1cc(CNC(=O)N2CCC(NC(=O)OC)CC2)on1	ZINC000852147411	FF	On-Demand	Anodyne	SLC5A7	23	41
CCOC(=O)N1CCN(C(=O)CNC(C)(C)c2nc(C)cc(O)n2)CC1	ZINC000852147428	FC	On-Demand	Anodyne	P2RY12	50	42
C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852147466	JK	On-Demand	Anodyne	IMDH_CRYPV	54	39
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC3CC=CC3)[C@@H]2C1	ZINC000852147496	CF	On-Demand	Anodyne	GPR119	27	40
COC[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852147505	CC	On-Demand	Anodyne	CHRM3	51	37
COC[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852147505	CC	On-Demand	Anodyne	CPT1A	46	36
COC[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852147505	CC	On-Demand	Anodyne	AMY2	48	33
COC[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852147506	CC	On-Demand	Anodyne	CHRM3	51	37
COC[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852147506	CC	On-Demand	Anodyne	CPT1A	46	36
COC[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852147506	CC	On-Demand	Anodyne	AMY2	48	33
CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cnc4ccccc4n3)[C@@H]2C1	ZINC000852147510	FG	On-Demand	Anodyne	GPR119	38	45
O=C(NCCc1ccccc1[N+](=O)[O-])N1CCn2ncc(Br)c2C1	ZINC000852147511	GE	On-Demand	Bother	COLA	93	35
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCCc1ccoc1)c1ccccc1	ZINC000852147521	FG	On-Demand	Anodyne	SOAT1	23	55
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCCc1ccoc1)c1ccccc1	ZINC000852147521	FG	On-Demand	Anodyne	FPR1	42	34
COc1cccc(O[C@@H](C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852147532	GF	On-Demand	Anodyne	MTNR1A	49	59
COc1cccc(O[C@@H](C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852147532	GF	On-Demand	Anodyne	MTNR1B	48	59
COc1cccc(O[C@H](C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852147533	GF	On-Demand	Anodyne	MTNR1A	49	59
COc1cccc(O[C@H](C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852147533	GF	On-Demand	Anodyne	MTNR1B	48	59
COc1cccc(O[C@@H](C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852147534	GF	On-Demand	Anodyne	MTNR1A	49	59
COc1cccc(O[C@@H](C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852147534	GF	On-Demand	Anodyne	MTNR1B	48	59
COc1cccc(O[C@H](C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852147535	GF	On-Demand	Anodyne	MTNR1A	49	59
COc1cccc(O[C@H](C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852147535	GF	On-Demand	Anodyne	MTNR1B	48	59
CN(C)C(=O)N[C@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852147536	CC	On-Demand	Anodyne	BIRC2	39	42
CN(C)C(=O)N[C@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852147537	CC	On-Demand	Anodyne	BIRC2	39	42
CN(C)C(=O)N[C@@H]1CCCN(C[C@H](O)c2ccccn2)C1	ZINC000852147538	CC	On-Demand	Anodyne	BIRC2	39	42
CN(C)C(=O)N[C@@H]1CCCN(C[C@@H](O)c2ccccn2)C1	ZINC000852147539	CC	On-Demand	Anodyne	BIRC2	39	42
O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C=CCC1	ZINC000852147541	CE	On-Demand	Bother	COLA	88	35
O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1C=CCC1	ZINC000852147542	CE	On-Demand	Bother	COLA	88	35
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852147556	GC	On-Demand	Reactive	MTNR1A	32	53
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852147556	GC	On-Demand	Reactive	MTNR1B	31	53
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852147557	GC	On-Demand	Reactive	MTNR1A	32	53
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852147557	GC	On-Demand	Reactive	MTNR1B	31	53
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852147558	GC	On-Demand	Reactive	MTNR1A	32	53
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852147558	GC	On-Demand	Reactive	MTNR1B	31	53
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852147559	GC	On-Demand	Reactive	MTNR1A	32	53
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852147559	GC	On-Demand	Reactive	MTNR1B	31	53
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC3=NS(=O)(=O)c4ccccc43)[C@@H]2C1	ZINC000852147562	GE	On-Demand	Anodyne	GPR119	23	44
COc1cc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)on1	ZINC000852147568	DE	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC[C@@H]1CCOC1(C)C)c1ccccc1	ZINC000852147571	GG	On-Demand	Anodyne	SOAT1	17	52
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NC[C@H]1CCOC1(C)C)c1ccccc1	ZINC000852147572	GG	On-Demand	Anodyne	SOAT1	17	52
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@H](O)c3ccccn3)[C@@H]2C1	ZINC000852147584	EE	On-Demand	Anodyne	GPR119	43	52
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@@H](O)c3ccccn3)[C@@H]2C1	ZINC000852147585	EE	On-Demand	Anodyne	GPR119	43	52
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCc2nccnc2C1)c1ccccc1	ZINC000852147617	GF	On-Demand	Anodyne	PTAFR	23	49
CN(C)C(=O)N[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852147624	EC	On-Demand	Anodyne	AMY2	44	31
CN(C)C(=O)N[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852147624	EC	On-Demand	Anodyne	BIRC2	37	41
CN(C)C(=O)N[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852147635	EC	On-Demand	Anodyne	AMY2	44	31
CN(C)C(=O)N[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852147635	EC	On-Demand	Anodyne	BIRC2	37	41
CN(C)C(=O)N[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852147636	EC	On-Demand	Anodyne	AMY2	44	31
CN(C)C(=O)N[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852147636	EC	On-Demand	Anodyne	BIRC2	37	41
CN(C)C(=O)N[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852147637	EC	On-Demand	Anodyne	AMY2	44	31
CN(C)C(=O)N[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852147637	EC	On-Demand	Anodyne	BIRC2	37	41
C#CCOCCN1CCC[C@@H](NC(=O)N(C)C)C1	ZINC000852147638	CC	On-Demand	Mild	SLC6A1	48	39
C#CCOCCN1CCC[C@H](NC(=O)N(C)C)C1	ZINC000852147640	CC	On-Demand	Mild	SLC6A1	48	39
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@H](CCF)C1)c1ccccc1	ZINC000852147663	GI	On-Demand	Anodyne	SSTR2	40	34
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@H](CCF)C1)c1ccccc1	ZINC000852147663	GI	On-Demand	Anodyne	REN	64	41
Cc1ccc(NC(=O)CON=Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000852147665	IE	On-Demand	Mild	CNR2	15	58
Cc1ccc(NC(=O)CON=Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000852147665	IE	On-Demand	Mild	NR1H4	21	51
Cc1ccc(NC(=O)CON=Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000852147665	IE	On-Demand	Mild	EPHX2	17	40
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1	ZINC000852147668	GI	On-Demand	Anodyne	SSTR2	40	34
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1	ZINC000852147668	GI	On-Demand	Anodyne	REN	64	41
CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cccc(F)n3)[C@@H]2C1	ZINC000852147673	DF	On-Demand	Anodyne	GPR119	36	42
CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCOC(F)F	ZINC000852147674	ED	On-Demand	Anodyne	CA2	26	41
CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCOC(F)F	ZINC000852147674	ED	On-Demand	Anodyne	CA7	34	41
CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCOC(F)F	ZINC000852147674	ED	On-Demand	Anodyne	CA4	22	41
CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCOC(F)F	ZINC000852147674	ED	On-Demand	Anodyne	CA9	19	41
CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCOC(F)F	ZINC000852147674	ED	On-Demand	Anodyne	CAH_METTE	22	41
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1	ZINC000852147676	FG	On-Demand	Mild	PTAFR	24	48
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1	ZINC000852147676	FG	On-Demand	Mild	PAPA1_CARPA	35	40
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1	ZINC000852147679	FG	On-Demand	Mild	PTAFR	24	48
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1	ZINC000852147679	FG	On-Demand	Mild	PAPA1_CARPA	35	40
COc1cccc(OC)c1OC[C@H](O)CNC(C)(C)c1nc(C)cc(O)n1	ZINC000852147686	GD	On-Demand	Anodyne	ADRB2	25	41
COc1cccc(OC)c1OC[C@@H](O)CNC(C)(C)c1nc(C)cc(O)n1	ZINC000852147688	GD	On-Demand	Anodyne	ADRB2	25	41
Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852147693	FF	On-Demand	Anodyne	CALCRL	43	36
Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852147695	FF	On-Demand	Anodyne	CALCRL	43	36
CC(C)(C)OC(=O)N1C[C@@H]2CCCN(CC(=O)Nc3cnccn3)[C@@H]2C1	ZINC000852147728	FD	On-Demand	Anodyne	GPR119	28	47
C#C[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000852147747	ED	On-Demand	Mild	COLA	79	32
C#C[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])C1CCOCC1	ZINC000852147748	ED	On-Demand	Mild	COLA	79	32
COc1cccc(O[C@H](C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852147751	GD	On-Demand	Anodyne	NQO2	21	41
COc1cccc(O[C@H](C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852147751	GD	On-Demand	Anodyne	MTNR1A	59	58
COc1cccc(O[C@H](C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852147751	GD	On-Demand	Anodyne	MTNR1B	57	58
COc1cccc(O[C@@H](C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852147753	GD	On-Demand	Anodyne	NQO2	21	41
COc1cccc(O[C@@H](C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852147753	GD	On-Demand	Anodyne	MTNR1A	59	58
COc1cccc(O[C@@H](C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852147753	GD	On-Demand	Anodyne	MTNR1B	57	58
COC(=O)N(C)CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852147755	GE	On-Demand	Anodyne	PAPA1_CARPA	34	40
COC(=O)N(C)CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852147755	GE	On-Demand	Anodyne	SOAT1	20	56
COC(=O)N(C)CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852147757	GE	On-Demand	Anodyne	PAPA1_CARPA	34	40
COC(=O)N(C)CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852147757	GE	On-Demand	Anodyne	SOAT1	20	56
Cc1cc(O)nc(C(C)(C)NCC(=O)NNC(=O)c2ccccc2Cl)n1	ZINC000852147773	GD	On-Demand	Reactive	ECR	44	36
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852147774	GI	On-Demand	Mild	ADRB1	22	40
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852147774	GI	On-Demand	Mild	MAOB	16	54
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852147774	GI	On-Demand	Mild	LTA4H	39	55
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852147774	GI	On-Demand	Mild	FAAH	25	48
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852147774	GI	On-Demand	Mild	ADCYAP1R1	34	46
CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C[C@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852147788	GD	On-Demand	Anodyne	AMY2	44	31
CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C[C@@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852147789	GD	On-Demand	Anodyne	AMY2	44	31
C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1nccn1C	ZINC000852147794	GG	On-Demand	Anodyne	SOAT1	22	57
C[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1nccn1C	ZINC000852147796	GG	On-Demand	Anodyne	SOAT1	22	57
C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1nccn1C	ZINC000852147797	GG	On-Demand	Anodyne	SOAT1	22	57
O=C(NCc1ncccn1)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1	ZINC000852147804	GI	On-Demand	Anodyne	NMBR	51	39
CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1	ZINC000852147813	FG	On-Demand	Bother	GPR119	30	43
C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cscn1	ZINC000852147815	GH	On-Demand	Anodyne	SOAT1	20	57
C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cscn1	ZINC000852147815	GH	On-Demand	Anodyne	FPR1	40	34
C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cscn1	ZINC000852147816	GH	On-Demand	Anodyne	SOAT1	20	57
C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cscn1	ZINC000852147816	GH	On-Demand	Anodyne	FPR1	40	34
C[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cscn1	ZINC000852147817	GH	On-Demand	Anodyne	SOAT1	20	57
C[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)c1cscn1	ZINC000852147817	GH	On-Demand	Anodyne	FPR1	40	34
O=C1CCC2=C(CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])C2)N1	ZINC000852147825	ED	On-Demand	Bother	COLA	95	37
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCc2ccccc2[N+](=O)[O-])O1	ZINC000852147827	FC	On-Demand	Reactive	COLA	51	31
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCc2ccccc2[N+](=O)[O-])O1	ZINC000852147831	FC	On-Demand	Reactive	COLA	51	31
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCc1ncccn1)c1ccccc1	ZINC000852147839	FF	On-Demand	Anodyne	TACR3	44	35
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCc1ncccn1)c1ccccc1	ZINC000852147839	FF	On-Demand	Anodyne	SOAT1	23	59
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCc1ncccn1)c1ccccc1	ZINC000852147839	FF	On-Demand	Anodyne	FPR1	42	35
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852147846	GD	On-Demand	Anodyne	AMY2	51	30
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852147846	GD	On-Demand	Anodyne	GPR119	29	43
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852147848	GD	On-Demand	Anodyne	AMY2	51	30
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C[C@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852147848	GD	On-Demand	Anodyne	GPR119	29	43
Cc1cc(O)nc(C(C)(C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000852147854	GF	On-Demand	Bother	IMDH_CRYPV	27	44
COc1cccc(O[C@H](C)CNC(=O)NCCC2SCCS2)c1	ZINC000852147857	FF	On-Demand	Anodyne	DRD4	41	31
COc1cccc(O[C@H](C)CNC(=O)NCCC2SCCS2)c1	ZINC000852147857	FF	On-Demand	Anodyne	MTNR1A	61	58
COc1cccc(O[C@H](C)CNC(=O)NCCC2SCCS2)c1	ZINC000852147857	FF	On-Demand	Anodyne	MTNR1B	53	58
COc1cccc(O[C@@H](C)CNC(=O)NCCC2SCCS2)c1	ZINC000852147859	FF	On-Demand	Anodyne	DRD4	41	31
COc1cccc(O[C@@H](C)CNC(=O)NCCC2SCCS2)c1	ZINC000852147859	FF	On-Demand	Anodyne	MTNR1A	61	58
COc1cccc(O[C@@H](C)CNC(=O)NCCC2SCCS2)c1	ZINC000852147859	FF	On-Demand	Anodyne	MTNR1B	53	58
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCC[C@]1(C)CC1(F)F)c1ccccc1	ZINC000852147876	GH	On-Demand	Anodyne	SOAT1	20	55
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCC[C@]1(C)CC1(F)F)c1ccccc1	ZINC000852147876	GH	On-Demand	Anodyne	FPR1	43	34
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCC[C@@]1(C)CC1(F)F)c1ccccc1	ZINC000852147878	GH	On-Demand	Anodyne	SOAT1	20	55
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCC[C@@]1(C)CC1(F)F)c1ccccc1	ZINC000852147878	GH	On-Demand	Anodyne	FPR1	43	34
Cc1cc(O)nc(C(C)(C)NCc2ccc(C(=O)N3CCCC3)cc2)n1	ZINC000852147881	FF	On-Demand	Anodyne	L3MBTL3	50	35
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCN(CC(F)(F)F)CC1	ZINC000852147889	FD	On-Demand	Anodyne	AMY2	53	31
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCN(CC(F)(F)F)CC1	ZINC000852147889	FD	On-Demand	Anodyne	CYP2J2	48	34
COCCN(CCF)C(=O)NC[C@@H](C)Oc1cccc(OC)c1	ZINC000852147898	EE	On-Demand	Anodyne	DRD4	41	31
COCCN(CCF)C(=O)NC[C@@H](C)Oc1cccc(OC)c1	ZINC000852147898	EE	On-Demand	Anodyne	MTNR1A	37	58
COCCN(CCF)C(=O)NC[C@@H](C)Oc1cccc(OC)c1	ZINC000852147898	EE	On-Demand	Anodyne	MTNR1B	38	58
COCCN(CCF)C(=O)NC[C@H](C)Oc1cccc(OC)c1	ZINC000852147900	EE	On-Demand	Anodyne	DRD4	41	31
COCCN(CCF)C(=O)NC[C@H](C)Oc1cccc(OC)c1	ZINC000852147900	EE	On-Demand	Anodyne	MTNR1A	37	58
COCCN(CCF)C(=O)NC[C@H](C)Oc1cccc(OC)c1	ZINC000852147900	EE	On-Demand	Anodyne	MTNR1B	38	58
CC(C)(C)OC(=O)N1C[C@@H]2CCCN(Cc3cnc4ccccc4n3)[C@@H]2C1	ZINC000852147912	FG	On-Demand	Anodyne	GPR119	33	42
O=C(CON=Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2	ZINC000852147940	DF	On-Demand	Mild	DYRK2	64	35
COC(=O)N(C)CCNC(=O)N[C@@H]1CCOc2cc(OC)ccc21	ZINC000852147945	ED	On-Demand	Anodyne	MTNR1A	73	39
COC(=O)N(C)CCNC(=O)N[C@@H]1CCOc2cc(OC)ccc21	ZINC000852147945	ED	On-Demand	Anodyne	MTNR1B	55	36
COC(=O)N(C)CCNC(=O)N[C@H]1CCOc2cc(OC)ccc21	ZINC000852147946	ED	On-Demand	Anodyne	MTNR1A	73	39
COC(=O)N(C)CCNC(=O)N[C@H]1CCOc2cc(OC)ccc21	ZINC000852147946	ED	On-Demand	Anodyne	MTNR1B	55	36
COc1ccc2c(CNC(C)(C)c3nc(C)cc(O)n3)cc(=O)oc2c1	ZINC000852147948	FF	On-Demand	Anodyne	CYP11B1	16	42
COc1ccc2c(CNC(C)(C)c3nc(C)cc(O)n3)cc(=O)oc2c1	ZINC000852147948	FF	On-Demand	Anodyne	MAOA	48	36
COc1ccc2c(CNC(C)(C)c3nc(C)cc(O)n3)cc(=O)oc2c1	ZINC000852147948	FF	On-Demand	Anodyne	MAOB	30	42
COc1ccc2c(CNC(C)(C)c3nc(C)cc(O)n3)cc(=O)oc2c1	ZINC000852147948	FF	On-Demand	Anodyne	HSD17B3	19	41
Cc1cc(O)nc(C(C)(C)NCC(=O)Nc2ccc(N3CCOCC3)cc2)n1	ZINC000852147953	GD	On-Demand	Anodyne	PIK3CA	44	39
Cc1cc(O)nc(C(C)(C)NCC(=O)Nc2ccc(N3CCOCC3)cc2)n1	ZINC000852147953	GD	On-Demand	Anodyne	MTOR	81	38
Cc1cc(O)nc(C(C)(C)NCC(=O)Nc2ccc(N3CCOCC3)cc2)n1	ZINC000852147953	GD	On-Demand	Anodyne	STAT6	61	36
CCC(CC)c1cc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)on1	ZINC000852147957	GH	On-Demand	Clean	SLC5A7	24	40
CCC(CC)c1cc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)on1	ZINC000852147958	GH	On-Demand	Clean	SLC5A7	24	40
COC(=O)N(C)CCNC(=O)NC[C@@H](OC)c1ccc(Cl)cc1	ZINC000852147966	EE	On-Demand	Anodyne	UTS2	42	34
COC(=O)N(C)CCNC(=O)NC[C@H](OC)c1ccc(Cl)cc1	ZINC000852147967	EE	On-Demand	Anodyne	UTS2	42	34
O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCOC2=O)C1	ZINC000852148082	ED	On-Demand	Bother	COLA	61	31
O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCOC2=O)C1	ZINC000852148083	ED	On-Demand	Bother	COLA	61	31
CNS(=O)(=O)c1ccc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	ZINC000852148089	GE	On-Demand	Anodyne	TGM2	23	42
CNS(=O)(=O)c1ccc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	ZINC000852148089	GE	On-Demand	Anodyne	F13A1	37	42
CNS(=O)(=O)c1ccc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	ZINC000852148089	GE	On-Demand	Anodyne	GPR119	50	44
C[C@@H](ON=Cc1ccccc1F)C(=O)Nc1cccc(I)c1	ZINC000852148117	HH	On-Demand	Mild	KCNK3	46	32
C[C@@H](ON=Cc1ccccc1F)C(=O)Nc1cccc(I)c1	ZINC000852148117	HH	On-Demand	Mild	KCNK9	43	32
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1	ZINC000852148123	GG	On-Demand	Anodyne	SOAT1	21	54
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1	ZINC000852148123	GG	On-Demand	Anodyne	FPR1	44	34
CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1	ZINC000852148124	GG	On-Demand	Anodyne	SOAT1	21	54
CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1	ZINC000852148124	GG	On-Demand	Anodyne	FPR1	44	34
CN(Cc1cn(C)nn1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852148126	GE	On-Demand	Anodyne	SOAT1	15	51
CN(Cc1cn(C)nn1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852148127	GE	On-Demand	Anodyne	SOAT1	15	51
COCCN(CCF)C(=O)NC[C@@H](C)Oc1cccc(F)c1	ZINC000852148134	DE	On-Demand	Anodyne	GCK	18	40
COCCN(CCF)C(=O)NC[C@H](C)Oc1cccc(F)c1	ZINC000852148135	DE	On-Demand	Anodyne	GCK	18	40
Cn1cnc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1	ZINC000852148142	DD	On-Demand	Anodyne	GPR119	33	44
COCCN(CCF)C(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000852148148	DD	On-Demand	Bother	COLA	116	36
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H]1C=CCC1)c1ccccc1	ZINC000852148172	EG	On-Demand	Anodyne	SOAT1	19	55
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H]1C=CCC1)c1ccccc1	ZINC000852148172	EG	On-Demand	Anodyne	FPR1	40	34
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H]1C=CCC1)c1ccccc1	ZINC000852148173	EG	On-Demand	Anodyne	SOAT1	19	55
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H]1C=CCC1)c1ccccc1	ZINC000852148173	EG	On-Demand	Anodyne	FPR1	40	34
O=C(NCCc1ccccc1[N+](=O)[O-])NCC[S@](=O)CC(F)(F)F	ZINC000852148188	FD	On-Demand	Bother	COLA	101	38
O=C(NCCc1ccccc1[N+](=O)[O-])NCC[S@@](=O)CC(F)(F)F	ZINC000852148189	FD	On-Demand	Bother	COLA	101	38
COc1cccc(O[C@H](C)CNC(=O)NCC2SCCS2)c1	ZINC000852148195	EF	On-Demand	Anodyne	MTNR1A	59	61
COc1cccc(O[C@H](C)CNC(=O)NCC2SCCS2)c1	ZINC000852148195	EF	On-Demand	Anodyne	MTNR1B	51	61
COc1cccc(O[C@@H](C)CNC(=O)NCC2SCCS2)c1	ZINC000852148196	EF	On-Demand	Anodyne	MTNR1A	59	61
COc1cccc(O[C@@H](C)CNC(=O)NCC2SCCS2)c1	ZINC000852148196	EF	On-Demand	Anodyne	MTNR1B	51	61
COc1cccc(O[C@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148197	DD	On-Demand	Anodyne	NQO2	15	41
COc1cccc(O[C@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148197	DD	On-Demand	Anodyne	ROCK1	21	40
COc1cccc(O[C@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148197	DD	On-Demand	Anodyne	MTNR1A	55	63
COc1cccc(O[C@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148197	DD	On-Demand	Anodyne	MTNR1B	53	63
COc1cccc(O[C@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148197	DD	On-Demand	Anodyne	ROCK2	23	42
COc1cccc(O[C@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148197	DD	On-Demand	Anodyne	GCK	25	41
COc1cccc(O[C@@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148198	DD	On-Demand	Anodyne	NQO2	15	41
COc1cccc(O[C@@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148198	DD	On-Demand	Anodyne	ROCK1	21	40
COc1cccc(O[C@@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148198	DD	On-Demand	Anodyne	MTNR1A	55	63
COc1cccc(O[C@@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148198	DD	On-Demand	Anodyne	MTNR1B	53	63
COc1cccc(O[C@@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148198	DD	On-Demand	Anodyne	ROCK2	23	42
COc1cccc(O[C@@H](C)CNC(=O)NCc2ncccn2)c1	ZINC000852148198	DD	On-Demand	Anodyne	GCK	25	41
C[C@H]1CCC(C)(C)N1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852148201	CD	On-Demand	Anodyne	AMY2	42	29
C[C@H]1CCC(C)(C)N1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852148202	CD	On-Demand	Anodyne	AMY2	42	29
O=C(NCCc1ccccc1[N+](=O)[O-])NCCC1SCCS1	ZINC000852148213	EF	On-Demand	Bother	COLA	100	34
COc1cccc(O[C@H](C)CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852148214	CE	On-Demand	Anodyne	MTNR1A	54	62
COc1cccc(O[C@H](C)CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852148214	CE	On-Demand	Anodyne	MTNR1B	46	62
COc1cccc(O[C@H](C)CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852148215	CE	On-Demand	Anodyne	MTNR1A	54	62
COc1cccc(O[C@H](C)CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852148215	CE	On-Demand	Anodyne	MTNR1B	46	62
COc1cccc(O[C@@H](C)CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852148216	CE	On-Demand	Anodyne	MTNR1A	54	62
COc1cccc(O[C@@H](C)CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852148216	CE	On-Demand	Anodyne	MTNR1B	46	62
COc1cccc(O[C@@H](C)CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852148217	CE	On-Demand	Anodyne	MTNR1A	54	62
COc1cccc(O[C@@H](C)CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852148217	CE	On-Demand	Anodyne	MTNR1B	46	62
COC[C@@H]1CCCCN1Cc1cccc(F)n1	ZINC000852148228	BE	On-Demand	Anodyne	CHRNA10	43	34
O=C(NCCc1ccccc1[N+](=O)[O-])NCC1SCCS1	ZINC000852148235	EE	On-Demand	Bother	COLA	100	34
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCn3cnc(Br)n3)[C@@H]2C1	ZINC000852148247	GD	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCCO[C@H]1CC1(F)F)c1ccccc1	ZINC000852148257	GF	On-Demand	Anodyne	SOAT1	18	52
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCCO[C@H]1CC1(F)F)c1ccccc1	ZINC000852148257	GF	On-Demand	Anodyne	FPR1	42	34
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCCO[C@@H]1CC1(F)F)c1ccccc1	ZINC000852148259	GF	On-Demand	Anodyne	SOAT1	18	52
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCCO[C@@H]1CC1(F)F)c1ccccc1	ZINC000852148259	GF	On-Demand	Anodyne	FPR1	42	34
CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cnon3)[C@@H]2C1	ZINC000852148260	CD	On-Demand	Anodyne	GPR119	30	42
C#C[C@@H](NC(=O)NC[C@H](C)Oc1cccc(OC)c1)C1CCOCC1	ZINC000852148286	EE	On-Demand	Mild	MTNR1A	43	58
C#C[C@@H](NC(=O)NC[C@H](C)Oc1cccc(OC)c1)C1CCOCC1	ZINC000852148286	EE	On-Demand	Mild	MTNR1B	40	58
C#C[C@H](NC(=O)NC[C@@H](C)Oc1cccc(OC)c1)C1CCOCC1	ZINC000852148287	EE	On-Demand	Mild	MTNR1A	43	58
C#C[C@H](NC(=O)NC[C@@H](C)Oc1cccc(OC)c1)C1CCOCC1	ZINC000852148287	EE	On-Demand	Mild	MTNR1B	40	58
C#C[C@H](NC(=O)NC[C@H](C)Oc1cccc(OC)c1)C1CCOCC1	ZINC000852148288	EE	On-Demand	Mild	MTNR1A	43	58
C#C[C@H](NC(=O)NC[C@H](C)Oc1cccc(OC)c1)C1CCOCC1	ZINC000852148288	EE	On-Demand	Mild	MTNR1B	40	58
C#C[C@@H](NC(=O)NC[C@@H](C)Oc1cccc(OC)c1)C1CCOCC1	ZINC000852148289	EE	On-Demand	Mild	MTNR1A	43	58
C#C[C@@H](NC(=O)NC[C@@H](C)Oc1cccc(OC)c1)C1CCOCC1	ZINC000852148289	EE	On-Demand	Mild	MTNR1B	40	58
Cn1cnc(CN2CCC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1	ZINC000852148292	DE	On-Demand	Anodyne	GPR119	27	40
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC(=O)Nc3ccc(Cl)nc3)[C@@H]2C1	ZINC000852148304	GF	On-Demand	Anodyne	GPR119	39	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852148319	GI	On-Demand	Mild	FPR1	43	34
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852148320	GI	On-Demand	Mild	FPR1	43	34
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000852148345	GC	On-Demand	Reactive	MTNR1A	20	52
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000852148345	GC	On-Demand	Reactive	MTNR1B	22	52
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000852148346	GC	On-Demand	Reactive	MTNR1A	20	52
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000852148346	GC	On-Demand	Reactive	MTNR1B	22	52
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC=C(Cl)Cl)[C@@H]2C1	ZINC000852148349	DG	On-Demand	Anodyne	GPR119	20	40
O=C(NCCc1ccccc1[N+](=O)[O-])NCCS(=O)(=O)CC(F)(F)F	ZINC000852148360	GD	On-Demand	Bother	COLA	126	45
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1F	ZINC000852148361	FE	On-Demand	Anodyne	CA2	19	41
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1F	ZINC000852148361	FE	On-Demand	Anodyne	CA1	17	41
CN(CC=C(Cl)Cl)CCOc1ccc(S(N)(=O)=O)cc1F	ZINC000852148361	FE	On-Demand	Anodyne	CA4	22	41
O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(N2CCOC2=O)CC1	ZINC000852148362	FD	On-Demand	Bother	COLA	64	32
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@@H]1COC2(CCC2)C1)c1ccccc1	ZINC000852148371	GG	On-Demand	Anodyne	SOAT1	19	51
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N[C@H]1COC2(CCC2)C1)c1ccccc1	ZINC000852148372	GG	On-Demand	Anodyne	SOAT1	19	51
COc1cccc(O[C@@H](C)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852148373	GE	On-Demand	Anodyne	DRD4	41	32
COc1cccc(O[C@@H](C)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852148373	GE	On-Demand	Anodyne	MTNR1A	41	56
COc1cccc(O[C@@H](C)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852148373	GE	On-Demand	Anodyne	MTNR1B	40	56
COc1cccc(O[C@@H](C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852148374	GE	On-Demand	Anodyne	DRD4	41	32
COc1cccc(O[C@@H](C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852148374	GE	On-Demand	Anodyne	MTNR1A	41	56
COc1cccc(O[C@@H](C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852148374	GE	On-Demand	Anodyne	MTNR1B	40	56
COc1cccc(O[C@H](C)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852148375	GE	On-Demand	Anodyne	DRD4	41	32
COc1cccc(O[C@H](C)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852148375	GE	On-Demand	Anodyne	MTNR1A	41	56
COc1cccc(O[C@H](C)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852148375	GE	On-Demand	Anodyne	MTNR1B	40	56
COc1cccc(O[C@H](C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852148376	GE	On-Demand	Anodyne	DRD4	41	32
COc1cccc(O[C@H](C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852148376	GE	On-Demand	Anodyne	MTNR1A	41	56
COc1cccc(O[C@H](C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852148376	GE	On-Demand	Anodyne	MTNR1B	40	56
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3cccc(OC)c3)C2)cc1	ZINC000852148384	GG	On-Demand	Clean	DRD4	46	38
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3cccc(OC)c3)C2)cc1	ZINC000852148384	GG	On-Demand	Clean	MTNR1A	52	56
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3cccc(OC)c3)C2)cc1	ZINC000852148384	GG	On-Demand	Clean	MTNR1B	51	56
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3cccc(OC)c3)C2)cc1	ZINC000852148384	GG	On-Demand	Clean	MCHR1	18	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3cccc(OC)c3)C2)cc1	ZINC000852148385	GG	On-Demand	Clean	DRD4	46	38
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3cccc(OC)c3)C2)cc1	ZINC000852148385	GG	On-Demand	Clean	MTNR1A	52	56
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3cccc(OC)c3)C2)cc1	ZINC000852148385	GG	On-Demand	Clean	MTNR1B	51	56
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3cccc(OC)c3)C2)cc1	ZINC000852148385	GG	On-Demand	Clean	MCHR1	18	42
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC(=O)Nc3cnccn3)[C@@H]2C1	ZINC000852148392	ED	On-Demand	Anodyne	GPR119	33	51
C#CCOCCN(C)CCOc1ccc(S(N)(=O)=O)cc1F	ZINC000852148397	EC	On-Demand	Mild	CA7	15	42
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(OC)c1	ZINC000852148398	ED	On-Demand	Anodyne	NQO2	19	42
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(OC)c1	ZINC000852148398	ED	On-Demand	Anodyne	MTNR1A	69	60
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(OC)c1	ZINC000852148398	ED	On-Demand	Anodyne	MTNR1B	62	60
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(OC)c1	ZINC000852148399	ED	On-Demand	Anodyne	NQO2	19	42
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(OC)c1	ZINC000852148399	ED	On-Demand	Anodyne	MTNR1A	69	60
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(OC)c1	ZINC000852148399	ED	On-Demand	Anodyne	MTNR1B	62	60
COC(=O)N(C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000852148402	DD	On-Demand	Bother	COLA	122	40
COC(=O)N(C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000852148402	DD	On-Demand	Bother	MTNR1A	26	40
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CC(F)(F)Br)[C@@H]2C1	ZINC000852148405	FF	On-Demand	Anodyne	GPR119	29	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852148406	GF	On-Demand	Clean	MTNR1A	51	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852148406	GF	On-Demand	Clean	MTNR1B	39	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852148406	GF	On-Demand	Clean	MMP1	18	40
O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1COC2(CCC2)C1	ZINC000852148410	DE	On-Demand	Bother	COLA	65	31
O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1COC2(CCC2)C1	ZINC000852148411	DE	On-Demand	Bother	COLA	65	31
COc1cccc(O[C@H](C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852148412	FF	On-Demand	Reactive	F10	49	33
COc1cccc(O[C@H](C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852148412	FF	On-Demand	Reactive	MTNR1A	39	58
COc1cccc(O[C@H](C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852148412	FF	On-Demand	Reactive	MTNR1B	40	58
COc1cccc(O[C@H](C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852148412	FF	On-Demand	Reactive	GCK	26	42
COc1cccc(O[C@@H](C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852148413	FF	On-Demand	Reactive	F10	49	33
COc1cccc(O[C@@H](C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852148413	FF	On-Demand	Reactive	MTNR1A	39	58
COc1cccc(O[C@@H](C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852148413	FF	On-Demand	Reactive	MTNR1B	40	58
COc1cccc(O[C@@H](C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852148413	FF	On-Demand	Reactive	GCK	26	42
COc1cccc(O[C@@H](C)CNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852148427	FD	On-Demand	Anodyne	MTNR1A	25	52
COc1cccc(O[C@@H](C)CNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852148427	FD	On-Demand	Anodyne	MTNR1B	27	52
COc1cccc(O[C@H](C)CNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852148428	FD	On-Demand	Anodyne	MTNR1A	25	52
COc1cccc(O[C@H](C)CNC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852148428	FD	On-Demand	Anodyne	MTNR1B	27	52
COc1cccc(O[C@@H](C)CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852148429	FD	On-Demand	Anodyne	MTNR1A	25	52
COc1cccc(O[C@@H](C)CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852148429	FD	On-Demand	Anodyne	MTNR1B	27	52
COc1cccc(O[C@H](C)CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852148430	FD	On-Demand	Anodyne	MTNR1A	25	52
COc1cccc(O[C@H](C)CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852148430	FD	On-Demand	Anodyne	MTNR1B	27	52
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(F)c1	ZINC000852148460	ED	On-Demand	Anodyne	MTNR1A	19	46
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(F)c1	ZINC000852148460	ED	On-Demand	Anodyne	MTNR1B	15	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(F)c1	ZINC000852148461	ED	On-Demand	Anodyne	MTNR1A	19	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(F)c1	ZINC000852148461	ED	On-Demand	Anodyne	MTNR1B	15	46
COc1cccc(O[C@H](C)CNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852148462	FE	On-Demand	Anodyne	DRD4	41	31
COc1cccc(O[C@H](C)CNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852148462	FE	On-Demand	Anodyne	MTNR1A	26	50
COc1cccc(O[C@H](C)CNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852148462	FE	On-Demand	Anodyne	MTNR1B	26	50
COc1cccc(O[C@@H](C)CNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852148463	FE	On-Demand	Anodyne	DRD4	41	31
COc1cccc(O[C@@H](C)CNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852148463	FE	On-Demand	Anodyne	MTNR1A	26	50
COc1cccc(O[C@@H](C)CNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852148463	FE	On-Demand	Anodyne	MTNR1B	26	50
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852148474	EC	On-Demand	Reactive	DRD4	41	32
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852148474	EC	On-Demand	Reactive	MTNR1A	35	55
COc1cccc(O[C@@H](C)CNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852148474	EC	On-Demand	Reactive	MTNR1B	33	55
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852148475	EC	On-Demand	Reactive	DRD4	41	32
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852148475	EC	On-Demand	Reactive	MTNR1A	35	55
COc1cccc(O[C@H](C)CNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852148475	EC	On-Demand	Reactive	MTNR1B	33	55
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCC1SCCS1)c1ccccc1	ZINC000852148482	GG	On-Demand	Anodyne	SOAT1	20	57
Cc1ccncc1CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852148496	GG	On-Demand	Anodyne	KCNA5	16	40
Cc1ccncc1CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852148496	GG	On-Demand	Anodyne	SOAT1	19	55
Cc1ccncc1CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852148497	GG	On-Demand	Anodyne	KCNA5	16	40
Cc1ccncc1CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	ZINC000852148497	GG	On-Demand	Anodyne	SOAT1	19	55
Cc1cncc(CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1	ZINC000852148501	GF	On-Demand	Anodyne	SOAT1	17	54
Cc1cncc(CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1	ZINC000852148502	GF	On-Demand	Anodyne	SOAT1	17	54
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1	ZINC000852148508	FH	On-Demand	Anodyne	CTSK	21	43
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1	ZINC000852148508	FH	On-Demand	Anodyne	FPR1	44	35
COc1cc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)sn1	ZINC000852148510	EF	On-Demand	Anodyne	GPR119	29	40
COc1cccc(O[C@@H](C)CNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852148514	GE	On-Demand	Anodyne	OXTR	21	40
COc1cccc(O[C@@H](C)CNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852148514	GE	On-Demand	Anodyne	MTNR1A	28	53
COc1cccc(O[C@@H](C)CNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852148514	GE	On-Demand	Anodyne	MTNR1B	30	53
COc1cccc(O[C@H](C)CNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852148515	GE	On-Demand	Anodyne	OXTR	21	40
COc1cccc(O[C@H](C)CNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852148515	GE	On-Demand	Anodyne	MTNR1A	28	53
COc1cccc(O[C@H](C)CNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852148515	GE	On-Demand	Anodyne	MTNR1B	30	53
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCc1ccccc1[N+](=O)[O-]	ZINC000852148516	GD	On-Demand	Reactive	COLA	108	34
CN(C)C(=O)N[C@@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852148517	CD	On-Demand	Anodyne	CCR3	30	40
CN(C)C(=O)N[C@H]1CCCN(Cc2cccc(F)n2)C1	ZINC000852148518	CD	On-Demand	Anodyne	CCR3	30	40
CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ncsc3Br)[C@@H]2C1	ZINC000852148519	GG	On-Demand	Anodyne	GPR119	27	40
COc1cccc(O[C@@H](C)CNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852148528	EE	On-Demand	Anodyne	MTNR1A	50	56
COc1cccc(O[C@@H](C)CNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852148528	EE	On-Demand	Anodyne	MTNR1B	47	56
COc1cccc(O[C@H](C)CNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852148529	EE	On-Demand	Anodyne	MTNR1A	50	56
COc1cccc(O[C@H](C)CNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852148529	EE	On-Demand	Anodyne	MTNR1B	47	56
COc1cccc(O[C@@H](C)CNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852148530	EE	On-Demand	Anodyne	MTNR1A	50	56
COc1cccc(O[C@@H](C)CNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852148530	EE	On-Demand	Anodyne	MTNR1B	47	56
COc1cccc(O[C@H](C)CNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852148531	EE	On-Demand	Anodyne	MTNR1A	50	56
COc1cccc(O[C@H](C)CNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852148531	EE	On-Demand	Anodyne	MTNR1B	47	56
CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCc3ccc(C#N)cc3)[C@@H]2C1	ZINC000852148542	EG	On-Demand	Mild	GPR119	36	49
CN1[C@H]2CCC[C@H]1CC(NC(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2	ZINC000852148553	GE	On-Demand	Clean	HTR3A	35	41
CN1[C@H]2CCC[C@H]1CC(NC(=O)NCc1ncccn1)C2	ZINC000852148591	CD	On-Demand	Anodyne	HTR3A	38	46
CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CC[C@H](N3CCOC3=O)C1)C2	ZINC000852148606	ED	On-Demand	Anodyne	HTR3A	33	40
CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H](N3CCOC3=O)C1)C2	ZINC000852148607	ED	On-Demand	Anodyne	HTR3A	33	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCN(CCC(F)(F)F)CC1	ZINC000852148675	FD	On-Demand	Anodyne	CHRM2	23	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCN(CCC(F)(F)F)CC1	ZINC000852148675	FD	On-Demand	Anodyne	CHRM3	45	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCN(CCC(F)(F)F)CC1	ZINC000852148675	FD	On-Demand	Anodyne	CCR5	39	42
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCN(CCC(F)(F)F)CC1	ZINC000852148675	FD	On-Demand	Anodyne	CYP2J2	53	38
NC(=O)[C@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148686	CC	On-Demand	Anodyne	CHRM2	23	41
NC(=O)[C@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148686	CC	On-Demand	Anodyne	CHRM1	22	42
NC(=O)[C@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148686	CC	On-Demand	Anodyne	ACHE	23	41
NC(=O)[C@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148686	CC	On-Demand	Anodyne	CHRM4	16	41
NC(=O)[C@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148686	CC	On-Demand	Anodyne	CHRM3	35	42
NC(=O)[C@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148686	CC	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148687	CC	On-Demand	Anodyne	CHRM2	23	41
NC(=O)[C@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148687	CC	On-Demand	Anodyne	CHRM1	22	42
NC(=O)[C@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148687	CC	On-Demand	Anodyne	ACHE	23	41
NC(=O)[C@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148687	CC	On-Demand	Anodyne	CHRM4	16	41
NC(=O)[C@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148687	CC	On-Demand	Anodyne	CHRM3	35	42
NC(=O)[C@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148687	CC	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148688	CC	On-Demand	Anodyne	CHRM2	23	41
NC(=O)[C@@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148688	CC	On-Demand	Anodyne	CHRM1	22	42
NC(=O)[C@@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148688	CC	On-Demand	Anodyne	ACHE	23	41
NC(=O)[C@@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148688	CC	On-Demand	Anodyne	CHRM4	16	41
NC(=O)[C@@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148688	CC	On-Demand	Anodyne	CHRM3	35	42
NC(=O)[C@@](O)(CN1CC[C@@H](CCCO)C1)c1ccccc1	ZINC000852148688	CC	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148689	CC	On-Demand	Anodyne	CHRM2	23	41
NC(=O)[C@@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148689	CC	On-Demand	Anodyne	CHRM1	22	42
NC(=O)[C@@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148689	CC	On-Demand	Anodyne	ACHE	23	41
NC(=O)[C@@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148689	CC	On-Demand	Anodyne	CHRM4	16	41
NC(=O)[C@@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148689	CC	On-Demand	Anodyne	CHRM3	35	42
NC(=O)[C@@](O)(CN1CC[C@H](CCCO)C1)c1ccccc1	ZINC000852148689	CC	On-Demand	Anodyne	CYP2J2	49	34
CN1[C@H]2CCC[C@H]1CC(NC(=O)NNC(=O)c1cccc(F)n1)C2	ZINC000852148864	ED	On-Demand	Reactive	HTR3A	43	49
CN1[C@H]2CCC[C@H]1CC(NC(=O)NNC(=O)c1cccc(F)n1)C2	ZINC000852148864	ED	On-Demand	Reactive	HTR4	16	41
CN1[C@H]2CCC[C@H]1CC(NC(=O)NNC(=O)c1cccc(F)n1)C2	ZINC000852148864	ED	On-Demand	Reactive	GLRA1	40	29
CC(C)(C)OC(=O)N1CCc2c(CN3CC[C@H](CCCO)C3)cccc2C1	ZINC000852148884	FH	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCc2c(CN3CC[C@@H](CCCO)C3)cccc2C1	ZINC000852148885	FH	On-Demand	Anodyne	GPR119	24	43
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@@H](O)c1cccc3ccccc13)C2	ZINC000852148912	FG	On-Demand	Anodyne	HTR3A	42	50
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@@H](O)c1cccc3ccccc13)C2	ZINC000852148912	FG	On-Demand	Anodyne	SLC6A3	20	42
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@@H](O)c1cccc3ccccc13)C2	ZINC000852148912	FG	On-Demand	Anodyne	HTR4	44	42
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@@H](O)c1cccc3ccccc13)C2	ZINC000852148912	FG	On-Demand	Anodyne	GLRA1	44	34
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@H](O)c1cccc3ccccc13)C2	ZINC000852148913	FG	On-Demand	Anodyne	HTR3A	42	50
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@H](O)c1cccc3ccccc13)C2	ZINC000852148913	FG	On-Demand	Anodyne	SLC6A3	20	42
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@H](O)c1cccc3ccccc13)C2	ZINC000852148913	FG	On-Demand	Anodyne	HTR4	44	42
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@H](O)c1cccc3ccccc13)C2	ZINC000852148913	FG	On-Demand	Anodyne	GLRA1	44	34
C[C@@H]1C[C@H](O)CN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852149017	CC	On-Demand	Anodyne	CHRM2	15	41
C[C@@H]1C[C@H](O)CN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852149017	CC	On-Demand	Anodyne	CHRM3	26	40
C[C@@H]1C[C@H](O)CN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852149019	CC	On-Demand	Anodyne	CHRM2	15	41
C[C@@H]1C[C@H](O)CN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852149019	CC	On-Demand	Anodyne	CHRM3	26	40
CN1[C@H]2CCC[C@H]1CC(NC(=O)N[C@H]1C=CCC1)C2	ZINC000852149074	CE	On-Demand	Anodyne	HTR3A	31	41
CN1[C@H]2CCC[C@H]1CC(NC(=O)N[C@@H]1C=CCC1)C2	ZINC000852149075	CE	On-Demand	Anodyne	HTR3A	31	41
CN1[C@H]2CCC[C@H]1CC(NC(=O)NCCC1SCCS1)C2	ZINC000852149081	EE	On-Demand	Anodyne	HTR3A	31	41
O=C(CN(CCN1CCOCC1)Cc1ccco1)Nc1ccc(Cl)nc1	ZINC000852149183	GE	On-Demand	Anodyne	CASR	47	38
O=C(CN(CCN1CCOCC1)Cc1ccco1)Nc1ccc(Cl)nc1	ZINC000852149183	GE	On-Demand	Anodyne	EPHX2	20	41
C#CCOCCN1CCN(c2ccc(OC)cn2)CC1	ZINC000852149184	CC	On-Demand	Mild	HTR1A	35	41
C#CCOCCN1CCN(c2ccc(OC)cn2)CC1	ZINC000852149184	CC	On-Demand	Mild	DRD2	28	41
C#CCOCCN1CCN(c2ccc(OC)cn2)CC1	ZINC000852149184	CC	On-Demand	Mild	DRD4	31	49
C#CCOCCN1CCN(c2ccc(OC)cn2)CC1	ZINC000852149184	CC	On-Demand	Mild	DRD3	28	49
C#CCOCCN1CCN(c2ccc(OC)cn2)CC1	ZINC000852149184	CC	On-Demand	Mild	LTA4H	24	40
C#CCOCCN1CCN(c2ccc(OC)cn2)CC1	ZINC000852149184	CC	On-Demand	Mild	HTR7	22	40
NC(=O)[C@](O)(CN(CCN1CCOCC1)Cc1ccco1)c1ccccc1	ZINC000852149218	FC	On-Demand	Anodyne	CASR	42	38
NC(=O)[C@](O)(CN(CCN1CCOCC1)Cc1ccco1)c1ccccc1	ZINC000852149218	FC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN(CCN1CCOCC1)Cc1ccco1)c1ccccc1	ZINC000852149219	FC	On-Demand	Anodyne	CASR	42	38
NC(=O)[C@@](O)(CN(CCN1CCOCC1)Cc1ccco1)c1ccccc1	ZINC000852149219	FC	On-Demand	Anodyne	CYP2J2	44	31
COc1ccc(NC(=O)[C@H](C)ON=Cc2cccc(OC)c2OC)c(OC)c1	ZINC000852149404	GG	On-Demand	Mild	CYP1B1	24	45
CC(C)(C)OC(=O)N1CC[C@H](NCCc2ccc(C#N)cc2)C1(C)C	ZINC000852149430	EG	On-Demand	Mild	GPR119	18	41
CC(C)(C)OC(=O)N1CC[C@@H](NCCc2ccc(C#N)cc2)C1(C)C	ZINC000852149433	EG	On-Demand	Mild	GPR119	18	41
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852149534	GG	On-Demand	Anodyne	HTR3A	34	42
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852149534	GG	On-Demand	Anodyne	SLC6A3	31	53
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852149534	GG	On-Demand	Anodyne	HTR4	25	40
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852149536	GG	On-Demand	Anodyne	HTR3A	34	42
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852149536	GG	On-Demand	Anodyne	SLC6A3	31	53
CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852149536	GG	On-Demand	Anodyne	HTR4	25	40
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(Cl)c1	ZINC000852149553	EE	On-Demand	Anodyne	MTNR1A	21	46
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(Cl)c1	ZINC000852149553	EE	On-Demand	Anodyne	MTNR1B	17	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(Cl)c1	ZINC000852149554	EE	On-Demand	Anodyne	MTNR1A	21	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(Cl)c1	ZINC000852149554	EE	On-Demand	Anodyne	MTNR1B	17	46
Cc1cccc([C@@H](C)NC[C@@](O)(C(N)=O)c2ccccc2)c1	ZINC000852149568	CE	On-Demand	Anodyne	KIF11	24	41
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)OC)C2)cc1	ZINC000852149576	DD	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)OC)C2)cc1	ZINC000852149576	DD	On-Demand	Clean	MTNR1B	17	48
CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)c1ccccc1Br	ZINC000852149596	GH	On-Demand	Bother	COLA	103	39
CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)c1ccccc1Br	ZINC000852149598	GH	On-Demand	Bother	COLA	103	39
C#CCOCCN(CCO)Cc1cccc(OCC)c1	ZINC000852149600	CD	On-Demand	Mild	SQLE	88	33
O=C(CON=Cc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21	ZINC000852149801	EG	On-Demand	Mild	PLM1_PLAFA	44	45
O=C(CON=Cc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21	ZINC000852149801	EG	On-Demand	Mild	PLM2_PLAFA	21	45
O=C(CON=Cc1ccc(F)cc1)N[C@H]1CCCc2ccccc21	ZINC000852149802	EG	On-Demand	Mild	PLM1_PLAFA	44	45
O=C(CON=Cc1ccc(F)cc1)N[C@H]1CCCc2ccccc21	ZINC000852149802	EG	On-Demand	Mild	PLM2_PLAFA	21	45
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CCC[C@H](C3)N4C)C2)cc1	ZINC000852149816	FF	On-Demand	Clean	SLC6A4	15	43
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CCC[C@H](C3)N4C)C2)cc1	ZINC000852149816	FF	On-Demand	Clean	HTR3A	34	46
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CCC[C@H](C3)N4C)C2)cc1	ZINC000852149816	FF	On-Demand	Clean	SLC6A3	36	43
C#C[C@H](NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)C1CCOCC1	ZINC000852149953	DD	On-Demand	Mild	HTR3A	28	40
C#C[C@@H](NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)C1CCOCC1	ZINC000852149955	DD	On-Demand	Mild	HTR3A	28	40
Cc1nnc(CN(C)C(=O)NCc2c(C)cccc2F)s1	ZINC000852149962	DF	On-Demand	Anodyne	GNRHR	47	32
CC(C)(C)OC(=O)N1CC[C@H](NC[C@@H](O)c2ccccn2)C1(C)C	ZINC000852149975	EE	On-Demand	Anodyne	GPR119	20	42
CC(C)(C)OC(=O)N1CC[C@H](NC[C@H](O)c2ccccn2)C1(C)C	ZINC000852149977	EE	On-Demand	Anodyne	GPR119	20	42
CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@H](O)c2ccccn2)C1(C)C	ZINC000852149979	EE	On-Demand	Anodyne	GPR119	20	42
CC(C)(C)OC(=O)N1CC[C@@H](NC[C@H](O)c2ccccn2)C1(C)C	ZINC000852149981	EE	On-Demand	Anodyne	GPR119	20	42
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)O1	ZINC000852150048	FC	On-Demand	Reactive	HTR3A	26	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)O1	ZINC000852150049	FC	On-Demand	Reactive	HTR3A	26	40
CNS(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1	ZINC000852150083	GE	On-Demand	Anodyne	GPR119	16	41
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1	ZINC000852150084	EI	On-Demand	Mild	HDAC2	17	40
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1	ZINC000852150084	EI	On-Demand	Mild	HDAC3	15	44
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1	ZINC000852150084	EI	On-Demand	Mild	HDAC6	17	44
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1	ZINC000852150084	EI	On-Demand	Mild	FAAH	17	43
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1	ZINC000852150084	EI	On-Demand	Mild	SLC1A1	19	44
O=C(CON=Cc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1	ZINC000852150084	EI	On-Demand	Mild	SLC1A2	33	44
CC[C@@H](C)C[C@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852150178	CE	On-Demand	Anodyne	EPHX2	17	40
CC[C@H](C)C[C@@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852150179	CE	On-Demand	Anodyne	EPHX2	17	40
CC[C@@H](C)C[C@@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852150181	CE	On-Demand	Anodyne	EPHX2	17	40
COC[C@@H]1CCCN(Cc2cccc(F)n2)CC1	ZINC000852150184	CE	On-Demand	Anodyne	SIGMAR1	18	41
CC(C)(C)C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150230	DE	On-Demand	Anodyne	CHRM2	32	43
CC(C)(C)C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150230	DE	On-Demand	Anodyne	CHRM1	34	43
CC(C)(C)C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150230	DE	On-Demand	Anodyne	CHRM3	55	43
CC(C)(C)C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150230	DE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150230	DE	On-Demand	Anodyne	CYP2J2	50	38
CC(C)(C)C[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150231	DE	On-Demand	Anodyne	CHRM2	32	43
CC(C)(C)C[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150231	DE	On-Demand	Anodyne	CHRM1	34	43
CC(C)(C)C[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150231	DE	On-Demand	Anodyne	CHRM3	55	43
CC(C)(C)C[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150231	DE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)C[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150231	DE	On-Demand	Anodyne	CYP2J2	50	38
CC(C)(C)C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150232	DE	On-Demand	Anodyne	CHRM2	32	43
CC(C)(C)C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150232	DE	On-Demand	Anodyne	CHRM1	34	43
CC(C)(C)C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150232	DE	On-Demand	Anodyne	CHRM3	55	43
CC(C)(C)C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150232	DE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150232	DE	On-Demand	Anodyne	CYP2J2	50	38
CC(C)(C)C[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150233	DE	On-Demand	Anodyne	CHRM2	32	43
CC(C)(C)C[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150233	DE	On-Demand	Anodyne	CHRM1	34	43
CC(C)(C)C[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150233	DE	On-Demand	Anodyne	CHRM3	55	43
CC(C)(C)C[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150233	DE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)C[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852150233	DE	On-Demand	Anodyne	CYP2J2	50	38
COC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852150311	DD	On-Demand	Anodyne	CHRM3	46	39
COC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852150311	DD	On-Demand	Anodyne	AMY2	53	30
COC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852150311	DD	On-Demand	Anodyne	CYP2J2	47	33
COC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852150312	DD	On-Demand	Anodyne	CHRM3	46	39
COC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852150312	DD	On-Demand	Anodyne	AMY2	53	30
COC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852150312	DD	On-Demand	Anodyne	CYP2J2	47	33
CC(C)(C)OC(=O)N1CC[C@@H](NC[C@](O)(C(N)=O)c2ccccc2)C1(C)C	ZINC000852150505	GD	On-Demand	Anodyne	AMY2	54	32
CC(C)(C)OC(=O)N1CC[C@H](NC[C@](O)(C(N)=O)c2ccccc2)C1(C)C	ZINC000852150506	GD	On-Demand	Anodyne	AMY2	54	32
CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@](O)(C(N)=O)c2ccccc2)C1(C)C	ZINC000852150507	GD	On-Demand	Anodyne	AMY2	54	32
CC(C)(C)OC(=O)N1CC[C@H](NC[C@@](O)(C(N)=O)c2ccccc2)C1(C)C	ZINC000852150508	GD	On-Demand	Anodyne	AMY2	54	32
C[C@H](NC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1	ZINC000852150607	JH	On-Demand	Anodyne	UTS2	53	40
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852150608	JH	On-Demand	Anodyne	UTS2	53	40
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852150609	JH	On-Demand	Anodyne	UTS2	53	40
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852150610	JH	On-Demand	Anodyne	UTS2	53	40
COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](SC)C2)c(F)c1	ZINC000852150611	EF	On-Demand	Anodyne	BDKRB1	27	41
COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@H](SC)C2)c(F)c1	ZINC000852150612	EF	On-Demand	Anodyne	BDKRB1	27	41
COC(=O)c1ccc(CNC(=O)N[C@H]2CC[C@@H](SC)C2)c(F)c1	ZINC000852150613	EF	On-Demand	Anodyne	BDKRB1	27	41
COC(=O)c1ccc(CNC(=O)N[C@H]2CC[C@H](SC)C2)c(F)c1	ZINC000852150614	EF	On-Demand	Anodyne	BDKRB1	27	41
CN(CCOC1CCCCCC1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852150671	EH	On-Demand	Anodyne	AMY2	44	30
CN(CCOC1CCCCCC1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852150672	EH	On-Demand	Anodyne	AMY2	44	30
CS[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1	ZINC000852150748	GG	On-Demand	Anodyne	SSTR3	30	43
CS[C@H]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1	ZINC000852150749	GG	On-Demand	Anodyne	SSTR3	30	43
O=C(NC[C@@H]1OCCc2sccc21)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852150763	GH	On-Demand	Anodyne	TRPM8	25	46
O=C(NC[C@H]1OCCc2sccc21)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852150764	GH	On-Demand	Anodyne	TRPM8	25	46
O=C(NCC1CCN(CC2CC2)CC1)NC[C@@H]1OCCc2sccc21	ZINC000852150797	FF	On-Demand	Anodyne	CACNA1I	45	33
O=C(NCC1CCN(CC2CC2)CC1)NC[C@H]1OCCc2sccc21	ZINC000852150798	FF	On-Demand	Anodyne	CACNA1I	45	33
COc1ccc(O[C@@H](C)CNC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852150824	EE	On-Demand	Anodyne	MTNR1A	19	43
COc1ccc(O[C@@H](C)CNC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852150824	EE	On-Demand	Anodyne	MTNR1B	15	43
COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852150827	EE	On-Demand	Anodyne	MTNR1A	19	43
COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852150827	EE	On-Demand	Anodyne	MTNR1B	15	43
COc1ccc(O[C@@H](C)CNC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852150829	EE	On-Demand	Anodyne	MTNR1A	19	43
COc1ccc(O[C@@H](C)CNC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852150829	EE	On-Demand	Anodyne	MTNR1B	15	43
COc1ccc(O[C@H](C)CNC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852150831	EE	On-Demand	Anodyne	MTNR1A	19	43
COc1ccc(O[C@H](C)CNC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852150831	EE	On-Demand	Anodyne	MTNR1B	15	43
NC(=O)[C@@](O)(CN1CCC2(CC1)OCCc1ccccc12)c1ccccc1	ZINC000852150843	FD	On-Demand	Anodyne	SIGMAR1	41	59
NC(=O)[C@](O)(CN1CCC2(CC1)OCCc1ccccc12)c1ccccc1	ZINC000852150846	FD	On-Demand	Anodyne	SIGMAR1	41	59
O=C1CC[C@@H](CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)O1	ZINC000852150862	GF	On-Demand	Anodyne	HTR1A	21	44
O=C1CC[C@@H](CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)O1	ZINC000852150862	GF	On-Demand	Anodyne	HTR2A	15	45
O=C1CC[C@@H](CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)O1	ZINC000852150862	GF	On-Demand	Anodyne	L3MBTL3	27	40
O=C1CC[C@H](CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)O1	ZINC000852150864	GF	On-Demand	Anodyne	HTR1A	21	44
O=C1CC[C@H](CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)O1	ZINC000852150864	GF	On-Demand	Anodyne	HTR2A	15	45
O=C1CC[C@H](CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)O1	ZINC000852150864	GF	On-Demand	Anodyne	L3MBTL3	27	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(Br)c1	ZINC000852150870	GE	On-Demand	Reactive	CACNA1I	45	39
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc(Br)c1	ZINC000852150871	GG	On-Demand	Reactive	KCNJ11	20	41
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1cccc(Br)c1	ZINC000852150871	GG	On-Demand	Reactive	ECR	46	46
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc(Br)c1	ZINC000852150872	GE	On-Demand	Reactive	CACNA1I	45	39
O=C1CC[C@@H](CN2CCC3(CC2)OCCc2ccccc23)O1	ZINC000852150882	DE	On-Demand	Anodyne	SIGMAR1	43	57
O=C1CC[C@H](CN2CCC3(CC2)OCCc2ccccc23)O1	ZINC000852150884	DE	On-Demand	Anodyne	SIGMAR1	43	57
c1ccc2c(c1)CCOC21CCN(Cc2cnon2)CC1	ZINC000852150941	CE	On-Demand	Anodyne	OPRL1	41	33
c1ccc2c(c1)CCOC21CCN(Cc2cnon2)CC1	ZINC000852150941	CE	On-Demand	Anodyne	SIGMAR1	44	65
COc1ccc(O[C@@H](C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852150963	GF	On-Demand	Anodyne	MTNR1A	22	47
COc1ccc(O[C@@H](C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852150963	GF	On-Demand	Anodyne	MTNR1B	15	47
COc1ccc(O[C@H](C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852150964	GF	On-Demand	Anodyne	MTNR1A	22	47
COc1ccc(O[C@H](C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852150964	GF	On-Demand	Anodyne	MTNR1B	15	47
COc1ccc(O[C@@H](C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852150965	GF	On-Demand	Anodyne	MTNR1A	22	47
COc1ccc(O[C@@H](C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852150965	GF	On-Demand	Anodyne	MTNR1B	15	47
COc1ccc(O[C@H](C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852150966	GF	On-Demand	Anodyne	MTNR1A	22	47
COc1ccc(O[C@H](C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1	ZINC000852150966	GF	On-Demand	Anodyne	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151059	GG	On-Demand	Clean	HTR1A	18	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151059	GG	On-Demand	Clean	DRD2	24	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151059	GG	On-Demand	Clean	ADRA1D	25	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151059	GG	On-Demand	Clean	ADRA1A	21	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151059	GG	On-Demand	Clean	ADRA1B	19	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151059	GG	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151059	GG	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151060	GG	On-Demand	Clean	HTR1A	18	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151060	GG	On-Demand	Clean	DRD2	24	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151060	GG	On-Demand	Clean	ADRA1D	25	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151060	GG	On-Demand	Clean	ADRA1A	21	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151060	GG	On-Demand	Clean	ADRA1B	19	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151060	GG	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3OC)C2)cc1	ZINC000852151060	GG	On-Demand	Clean	MTNR1B	16	45
C[C@@H](ON=Cc1cccc(F)c1)C(=O)N(C)Cc1ccc(Br)cc1	ZINC000852151071	GH	On-Demand	Mild	NR1H4	26	44
C#CCOCCN1CCC2(CC1)OCCc1ccccc12	ZINC000852151100	CE	On-Demand	Mild	SIGMAR1	39	57
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cccc(Br)c1	ZINC000852151138	EE	On-Demand	Reactive	L3MBTL3	56	39
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cccc(Br)c1	ZINC000852151139	EE	On-Demand	Reactive	L3MBTL3	56	39
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cccc(Br)c1	ZINC000852151140	EE	On-Demand	Reactive	L3MBTL3	56	39
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cccc(Br)c1	ZINC000852151141	EE	On-Demand	Reactive	L3MBTL3	56	39
O=C(NC[C@@H]1OCCc2sccc21)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852151213	GH	On-Demand	Anodyne	NPY1R	24	40
O=C(NC[C@H]1OCCc2sccc21)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852151214	GH	On-Demand	Anodyne	NPY1R	24	40
O=C(NC[C@H]1OCCc2sccc21)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852151215	GH	On-Demand	Anodyne	NPY1R	24	40
O=C(NC[C@@H]1OCCc2sccc21)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852151216	GH	On-Demand	Anodyne	NPY1R	24	40
FC(F)OCCN1CCC2(CC1)OCCc1ccccc12	ZINC000852151266	CF	On-Demand	Anodyne	OPRL1	44	35
FC(F)OCCN1CCC2(CC1)OCCc1ccccc12	ZINC000852151266	CF	On-Demand	Anodyne	SIGMAR1	50	63
O=C(NCCC1CC1)NCc1ncccn1	ZINC000852151270	BD	On-Demand	Anodyne	SIRT3	51	33
O=C(NCCC1CC1)NCc1ncccn1	ZINC000852151270	BD	On-Demand	Anodyne	SIRT2	53	34
O=C(NCCC1CC1)NCc1ncccn1	ZINC000852151270	BD	On-Demand	Anodyne	SIRT1	51	34
COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852151275	CE	On-Demand	Anodyne	MTNR1A	18	48
COc1ccc(O[C@H](C)CNC(=O)N[C@H]2C=CCC2)cc1	ZINC000852151276	CE	On-Demand	Anodyne	MTNR1A	18	48
COc1ccc(O[C@@H](C)CNC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852151277	CE	On-Demand	Anodyne	MTNR1A	18	48
COc1ccc(O[C@@H](C)CNC(=O)N[C@H]2C=CCC2)cc1	ZINC000852151278	CE	On-Demand	Anodyne	MTNR1A	18	48
Fc1cccc(CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)n1	ZINC000852151281	GH	On-Demand	Anodyne	HTR1A	23	48
Fc1cccc(CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)n1	ZINC000852151281	GH	On-Demand	Anodyne	DRD4	22	44
Fc1cccc(CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)n1	ZINC000852151281	GH	On-Demand	Anodyne	HTR2A	18	48
Fc1cccc(CN2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)n1	ZINC000852151281	GH	On-Demand	Anodyne	L3MBTL3	26	45
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852151286	GH	On-Demand	Anodyne	P2RY12	44	34
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852151286	GH	On-Demand	Anodyne	GRIN2B	20	41
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852151286	GH	On-Demand	Anodyne	GPR119	43	41
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852151287	GH	On-Demand	Anodyne	P2RY12	44	34
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852151287	GH	On-Demand	Anodyne	GRIN2B	20	41
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852151287	GH	On-Demand	Anodyne	GPR119	43	41
C#CCOCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151310	FF	On-Demand	Mild	HTR1A	38	51
C#CCOCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151310	FF	On-Demand	Mild	DRD2	24	51
C#CCOCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151310	FF	On-Demand	Mild	HTR2A	28	51
C#CCOCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151310	FF	On-Demand	Mild	DRD3	24	41
C#CCOCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151310	FF	On-Demand	Mild	HTR7	34	44
C#CCOCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151310	FF	On-Demand	Mild	L3MBTL3	42	45
CO[C@@H]1CC[C@@H](N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)C1	ZINC000852151340	GG	On-Demand	Anodyne	HTR1A	21	48
CO[C@@H]1CC[C@@H](N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)C1	ZINC000852151340	GG	On-Demand	Anodyne	ADRA1A	15	41
O=C(NC[C@H]1OCCc2sccc21)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852151380	FF	On-Demand	Anodyne	CCR3	42	37
O=C(NC[C@H]1CCCN(CC2CC2)C1)NC[C@@H]1OCCc2sccc21	ZINC000852151382	FF	On-Demand	Anodyne	CCR3	42	37
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=Cc2cccc(F)c2)c1	ZINC000852151421	EG	On-Demand	Mild	KCNK3	52	41
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=Cc2cccc(F)c2)c1	ZINC000852151421	EG	On-Demand	Mild	KCNK9	49	41
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=Cc2cccc(F)c2)c1	ZINC000852151422	EG	On-Demand	Mild	KCNK3	52	41
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=Cc2cccc(F)c2)c1	ZINC000852151422	EG	On-Demand	Mild	KCNK9	49	41
CO[C@@H]1CC[C@@H](N2CCC3(CC2)OCCc2ccccc23)C1	ZINC000852151445	DG	On-Demand	Anodyne	SIGMAR1	19	48
COc1ccc(O[C@@H](C)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852151451	GG	On-Demand	Clean	MTNR1A	23	48
COc1ccc(O[C@@H](C)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852151451	GG	On-Demand	Clean	MTNR1B	20	48
COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852151453	GG	On-Demand	Clean	MTNR1A	23	48
COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852151453	GG	On-Demand	Clean	MTNR1B	20	48
COc1ccc(O[C@@H](C)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852151455	GG	On-Demand	Clean	MTNR1A	23	48
COc1ccc(O[C@@H](C)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852151455	GG	On-Demand	Clean	MTNR1B	20	48
COc1ccc(O[C@H](C)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852151457	GG	On-Demand	Clean	MTNR1A	23	48
COc1ccc(O[C@H](C)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852151457	GG	On-Demand	Clean	MTNR1B	20	48
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1ccc(OC)cc1	ZINC000852151470	ED	On-Demand	Anodyne	MTNR1A	25	46
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1ccc(OC)cc1	ZINC000852151470	ED	On-Demand	Anodyne	MTNR1B	17	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1ccc(OC)cc1	ZINC000852151471	ED	On-Demand	Anodyne	MTNR1A	25	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1ccc(OC)cc1	ZINC000852151471	ED	On-Demand	Anodyne	MTNR1B	17	46
O=C(NNC(=O)N1CCC[C@H](CCF)C1)c1cccc(Br)c1	ZINC000852151511	FF	On-Demand	Reactive	CCR2	16	41
O=C(NNC(=O)N1CCC[C@@H](CCF)C1)c1cccc(Br)c1	ZINC000852151512	FF	On-Demand	Reactive	CCR2	16	41
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852151542	JE	On-Demand	Anodyne	BMP1	67	39
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852151543	JE	On-Demand	Anodyne	BMP1	67	39
N#CC1(CNC(=O)NNC(=O)c2cccc(Br)c2)CCCCC1	ZINC000852151546	GF	On-Demand	Reactive	HCN1	48	30
N#CC1(CNC(=O)NNC(=O)c2cccc(Br)c2)CCCCC1	ZINC000852151546	GF	On-Demand	Reactive	HCN4	46	30
CS[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852151561	DG	On-Demand	Anodyne	EPHX2	35	42
CS[C@H]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852151563	DG	On-Demand	Anodyne	EPHX2	35	42
Brc1ncn(CCN2CCC3(CC2)OCCc2ccccc23)n1	ZINC000852151657	GF	On-Demand	Anodyne	SIGMAR1	34	59
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151695	JE	On-Demand	Anodyne	DRD4	41	51
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151695	JE	On-Demand	Anodyne	SIGMAR1	32	46
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151695	JE	On-Demand	Anodyne	CCR5	49	44
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151695	JE	On-Demand	Anodyne	MCHR1	25	44
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151695	JE	On-Demand	Anodyne	BIRC2	38	42
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151696	JE	On-Demand	Anodyne	DRD4	41	51
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151696	JE	On-Demand	Anodyne	SIGMAR1	32	46
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151696	JE	On-Demand	Anodyne	CCR5	49	44
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151696	JE	On-Demand	Anodyne	MCHR1	25	44
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151696	JE	On-Demand	Anodyne	BIRC2	38	42
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151697	JE	On-Demand	Anodyne	DRD4	41	51
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151697	JE	On-Demand	Anodyne	SIGMAR1	32	46
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151697	JE	On-Demand	Anodyne	CCR5	49	44
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151697	JE	On-Demand	Anodyne	MCHR1	25	44
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852151697	JE	On-Demand	Anodyne	BIRC2	38	42
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151698	JE	On-Demand	Anodyne	DRD4	41	51
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151698	JE	On-Demand	Anodyne	SIGMAR1	32	46
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151698	JE	On-Demand	Anodyne	CCR5	49	44
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151698	JE	On-Demand	Anodyne	MCHR1	25	44
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852151698	JE	On-Demand	Anodyne	BIRC2	38	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCSC3)C2)cc1	ZINC000852151715	DE	On-Demand	Clean	MMP13	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCSC3)C2)cc1	ZINC000852151715	DE	On-Demand	Clean	MMP3	27	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCSC3)C2)cc1	ZINC000852151715	DE	On-Demand	Clean	MMP1	23	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCSC3)C2)cc1	ZINC000852151716	DE	On-Demand	Clean	MMP13	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCSC3)C2)cc1	ZINC000852151716	DE	On-Demand	Clean	MMP3	27	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCSC3)C2)cc1	ZINC000852151716	DE	On-Demand	Clean	MMP1	23	40
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852151731	JF	On-Demand	Mild	VIPR1	27	43
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852151732	JF	On-Demand	Mild	VIPR1	27	43
O=[N+]([O-])c1cc(F)ccc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000852151756	FE	On-Demand	Bother	DRD4	20	42
COc1ccc(O[C@H](C)CNC(=O)NCc2ncccn2)cc1	ZINC000852151780	DD	On-Demand	Anodyne	MTNR1A	24	50
COc1ccc(O[C@H](C)CNC(=O)NCc2ncccn2)cc1	ZINC000852151780	DD	On-Demand	Anodyne	MTNR1B	18	50
COc1ccc(O[C@@H](C)CNC(=O)NCc2ncccn2)cc1	ZINC000852151781	DD	On-Demand	Anodyne	MTNR1A	24	50
COc1ccc(O[C@@H](C)CNC(=O)NCc2ncccn2)cc1	ZINC000852151781	DD	On-Demand	Anodyne	MTNR1B	18	50
O=S1(=O)N=C(CN2CCC3(CC2)OCCc2ccccc23)c2ccccc21	ZINC000852151806	GF	On-Demand	Anodyne	SIGMAR1	39	60
FC(F)OCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151809	FG	On-Demand	Anodyne	HTR1A	36	50
FC(F)OCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151809	FG	On-Demand	Anodyne	DRD2	20	50
FC(F)OCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151809	FG	On-Demand	Anodyne	DRD4	15	40
FC(F)OCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151809	FG	On-Demand	Anodyne	HTR2A	26	50
FC(F)OCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151809	FG	On-Demand	Anodyne	DRD3	16	40
FC(F)OCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151809	FG	On-Demand	Anodyne	HTR7	26	42
FC(F)OCCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000852151809	FG	On-Demand	Anodyne	L3MBTL3	36	44
COc1ccc(O[C@H](C)CNC(=O)NCCC2SCCS2)cc1	ZINC000852151821	FF	On-Demand	Anodyne	MTNR1A	26	45
COc1ccc(O[C@H](C)CNC(=O)NCCC2SCCS2)cc1	ZINC000852151821	FF	On-Demand	Anodyne	MTNR1B	16	45
COc1ccc(O[C@@H](C)CNC(=O)NCCC2SCCS2)cc1	ZINC000852151823	FF	On-Demand	Anodyne	MTNR1A	26	45
COc1ccc(O[C@@H](C)CNC(=O)NCCC2SCCS2)cc1	ZINC000852151823	FF	On-Demand	Anodyne	MTNR1B	16	45
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCCC2CC2)O1	ZINC000852151839	FD	On-Demand	Reactive	DRD4	23	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCCC2CC2)O1	ZINC000852151839	FD	On-Demand	Reactive	ACHE	39	51
O=C(NCCC1CC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852151919	GG	On-Demand	Anodyne	EPHX2	26	40
O=C(NCCC1CC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852151919	GG	On-Demand	Anodyne	RBP4	54	38
Cc1ccccc1CNC(=O)[C@H](C)ON=Cc1cccc(F)c1	ZINC000852151984	DG	On-Demand	Mild	AMP1_PLAFQ	17	40
Cc1ccccc1CNC(=O)[C@@H](C)ON=Cc1cccc(F)c1	ZINC000852151985	DG	On-Demand	Mild	AMP1_PLAFQ	17	40
O[C@@H](CN1CCC2(CC1)OCCc1ccccc12)c1ccccn1	ZINC000852151986	DF	On-Demand	Anodyne	SIGMAR1	28	55
O[C@H](CN1CCC2(CC1)OCCc1ccccc12)c1ccccn1	ZINC000852151987	DF	On-Demand	Anodyne	SIGMAR1	28	55
FC(F)(Br)CN1CCC2(CC1)OCCc1ccccc12	ZINC000852152000	EH	On-Demand	Anodyne	SIGMAR1	45	64
COc1ccc(O[C@H](C)CNC(=O)NCC2SCCS2)cc1	ZINC000852152020	EF	On-Demand	Anodyne	MTNR1A	23	47
COc1ccc(O[C@H](C)CNC(=O)NCC2SCCS2)cc1	ZINC000852152020	EF	On-Demand	Anodyne	MTNR1B	16	47
COc1ccc(O[C@@H](C)CNC(=O)NCC2SCCS2)cc1	ZINC000852152021	EF	On-Demand	Anodyne	MTNR1A	23	47
COc1ccc(O[C@@H](C)CNC(=O)NCC2SCCS2)cc1	ZINC000852152021	EF	On-Demand	Anodyne	MTNR1B	16	47
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCSC2)O1	ZINC000852152042	GD	On-Demand	Reactive	DRD4	21	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCSC2)O1	ZINC000852152042	GD	On-Demand	Reactive	SIGMAR1	21	41
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCSC2)O1	ZINC000852152043	GD	On-Demand	Reactive	DRD4	21	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCSC2)O1	ZINC000852152043	GD	On-Demand	Reactive	SIGMAR1	21	41
Cc1ccccc1CN(C)C(=O)[C@H](C)ON=Cc1cccc(F)c1	ZINC000852152177	EH	On-Demand	Mild	NR1H4	18	40
Cc1ccccc1CN(C)C(=O)[C@@H](C)ON=Cc1cccc(F)c1	ZINC000852152178	EH	On-Demand	Mild	NR1H4	18	40
COc1ccc(O[C@H](C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852152184	GD	On-Demand	Anodyne	MTNR1A	22	44
COc1ccc(O[C@@H](C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852152185	GD	On-Demand	Anodyne	MTNR1A	22	44
CCOP(=O)(OCC)[C@@H](O)CN1CCC2(CC1)OCCc1ccccc12	ZINC000852152209	GG	On-Demand	Anodyne	SIGMAR1	31	52
CCOP(=O)(OCC)[C@H](O)CN1CCC2(CC1)OCCc1ccccc12	ZINC000852152210	GG	On-Demand	Anodyne	SIGMAR1	31	52
COc1ccc(N2CC[C@H](NC(=O)NCCC3CC3)C2)cc1	ZINC000852152230	DE	On-Demand	Clean	DRD3	20	40
COc1ccc(N2CC[C@H](NC(=O)NCCC3CC3)C2)cc1	ZINC000852152230	DE	On-Demand	Clean	MTNR1A	30	48
COc1ccc(N2CC[C@H](NC(=O)NCCC3CC3)C2)cc1	ZINC000852152230	DE	On-Demand	Clean	MTNR1B	22	48
COc1ccc(N2CC[C@H](NC(=O)NCCC3CC3)C2)cc1	ZINC000852152230	DE	On-Demand	Clean	MCHR1	17	48
COc1ccc(O[C@H](C)CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852152234	FF	On-Demand	Reactive	F10	49	33
COc1ccc(O[C@@H](C)CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852152235	FF	On-Demand	Reactive	F10	49	33
Fc1cccc(CN2CCC3(CC2)OCCc2ccccc23)n1	ZINC000852152251	DG	On-Demand	Anodyne	OPRL1	48	38
Fc1cccc(CN2CCC3(CC2)OCCc2ccccc23)n1	ZINC000852152251	DG	On-Demand	Anodyne	SIGMAR1	44	63
CN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852152405	GH	On-Demand	Anodyne	LUCI_PHOPY	89	48
CN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852152410	GH	On-Demand	Anodyne	LUCI_PHOPY	89	48
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@@H]3CCSC3)C2)CC1	ZINC000852152421	GH	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@@H]3CCSC3)C2)CC1	ZINC000852152422	GH	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@H]3CCSC3)C2)CC1	ZINC000852152423	GH	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@H]3CCSC3)C2)CC1	ZINC000852152424	GH	On-Demand	Anodyne	GPR119	22	43
O=C(CN1CCC2(CC1)OCCc1ccccc12)Nc1ccc(Cl)nc1	ZINC000852152513	FG	On-Demand	Anodyne	SIGMAR1	24	51
C#CCN1CCN(C(=O)CN(C)[C@H](c2ccccc2)c2nc[nH]n2)CC1	ZINC000852152565	FC	On-Demand	Mild	PTAFR	20	45
C#CCN1CCN(C(=O)CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)CC1	ZINC000852152567	FC	On-Demand	Mild	PTAFR	20	45
FC(F)OCCN1CCN(CCOC(F)F)[C@H](c2ccccc2)C1	ZINC000852152640	FF	On-Demand	Anodyne	SLC6A4	18	42
FC(F)OCCN1CCN(CCOC(F)F)[C@H](c2ccccc2)C1	ZINC000852152640	FF	On-Demand	Anodyne	SLC6A3	51	45
FC(F)OCCN1CCN(CCOC(F)F)[C@@H](c2ccccc2)C1	ZINC000852152643	FF	On-Demand	Anodyne	SLC6A4	18	42
FC(F)OCCN1CCN(CCOC(F)F)[C@@H](c2ccccc2)C1	ZINC000852152643	FF	On-Demand	Anodyne	SLC6A3	51	45
CS[C@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852152713	EF	On-Demand	Anodyne	SCN2A	17	42
CS[C@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852152713	EF	On-Demand	Anodyne	SCN10A	18	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cc(C#N)ccc2F)O1	ZINC000852152718	EC	On-Demand	Reactive	P2RX7	44	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cc(C#N)ccc2F)O1	ZINC000852152719	EC	On-Demand	Reactive	P2RX7	44	41
COc1ccc(NC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	ZINC000852152739	JF	On-Demand	Anodyne	AVPR1B	44	31
COc1ccc(NC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	ZINC000852152739	JF	On-Demand	Anodyne	BMP1	48	38
COc1ccc(NC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	ZINC000852152739	JF	On-Demand	Anodyne	MMP3	21	41
COc1ccc(NC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	ZINC000852152739	JF	On-Demand	Anodyne	SCARB1	16	41
CS[C@H]1CC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852152791	FH	On-Demand	Anodyne	EPHX2	18	60
CS[C@H]1CC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852152791	FH	On-Demand	Anodyne	TRPM8	24	50
CN(CC(=O)NC1CCCCCCC1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852152815	FG	On-Demand	Anodyne	AMY2	44	30
CN(CC(=O)NC1CCCCCCC1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852152816	FG	On-Demand	Anodyne	AMY2	44	30
O=C(CON=Cc1cccc(F)c1)NCc1ccc(OC(F)(F)F)cc1	ZINC000852152859	FG	On-Demand	Mild	GRIN2B	15	47
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(Br)c2)C1	ZINC000852152860	GE	On-Demand	Reactive	CCR2	26	45
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(Br)c2)C1	ZINC000852152861	GE	On-Demand	Reactive	CCR2	26	45
N#Cc1ccc(F)c(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)c1	ZINC000852152877	ED	On-Demand	Mild	MAP3K12	46	33
N#Cc1ccc(F)c(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1	ZINC000852152879	ED	On-Demand	Mild	MAP3K12	46	33
CCCCC[C@@H](C)NC(=O)CN(C)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852152885	EF	On-Demand	Anodyne	P2RY12	56	32
CCCCC[C@@H](C)NC(=O)CN(C)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852152887	EF	On-Demand	Anodyne	P2RY12	56	32
C[C@@H](ON=Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852152933	FJ	On-Demand	Mild	IMDH_CRYPV	40	35
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852152934	JF	On-Demand	Anodyne	BDKRB1	29	42
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852152936	JF	On-Demand	Anodyne	BDKRB1	29	42
C#C[C@@H](NC(=O)N[C@H](C)COCc1ccccc1)C1CCOCC1	ZINC000852153044	EE	On-Demand	Mild	CTSS	31	41
C#C[C@@H](NC(=O)N[C@H](C)COCc1ccccc1)C1CCOCC1	ZINC000852153044	EE	On-Demand	Mild	CAPN2	45	32
C#C[C@@H](NC(=O)N[C@@H](C)COCc1ccccc1)C1CCOCC1	ZINC000852153045	EE	On-Demand	Mild	CTSS	31	41
C#C[C@@H](NC(=O)N[C@@H](C)COCc1ccccc1)C1CCOCC1	ZINC000852153045	EE	On-Demand	Mild	CAPN2	45	32
C#C[C@H](NC(=O)N[C@H](C)COCc1ccccc1)C1CCOCC1	ZINC000852153046	EE	On-Demand	Mild	CTSS	31	41
C#C[C@H](NC(=O)N[C@H](C)COCc1ccccc1)C1CCOCC1	ZINC000852153046	EE	On-Demand	Mild	CAPN2	45	32
C#C[C@H](NC(=O)N[C@@H](C)COCc1ccccc1)C1CCOCC1	ZINC000852153047	EE	On-Demand	Mild	CTSS	31	41
C#C[C@H](NC(=O)N[C@@H](C)COCc1ccccc1)C1CCOCC1	ZINC000852153047	EE	On-Demand	Mild	CAPN2	45	32
C#CCCCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852153048	EF	On-Demand	Mild	CTSK	17	42
C#CCCCNC(=O)NC1CC(C)(C)C1	ZINC000852153050	BD	On-Demand	Mild	EPHX2	16	41
N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c1	ZINC000852153095	GG	On-Demand	Mild	SSTR3	35	45
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cc(C#N)ccc1F	ZINC000852153106	EH	On-Demand	Mild	P2RX7	45	38
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cc(C#N)ccc1F	ZINC000852153107	EH	On-Demand	Mild	P2RX7	45	38
Cn1ncc(C2CCC2)c1CNC(=O)NCc1cc(C#N)ccc1F	ZINC000852153129	EF	On-Demand	Mild	P2RX7	38	42
N#Cc1ccc(F)c(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852153138	DG	On-Demand	Mild	EPHX2	22	56
N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1	ZINC000852153139	EF	On-Demand	Mild	CCR3	49	42
N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1	ZINC000852153139	EF	On-Demand	Mild	MCHR1	22	40
N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)c1	ZINC000852153140	EF	On-Demand	Mild	CCR3	49	42
N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)c1	ZINC000852153140	EF	On-Demand	Mild	MCHR1	22	40
N#Cc1ccc(F)c(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)c1	ZINC000852153142	GH	On-Demand	Mild	EPHX2	18	50
N#Cc1ccc(F)c(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)c1	ZINC000852153142	GH	On-Demand	Mild	TRPM8	23	48
N#Cc1ccc(F)c(CNC(=O)NCc2cccc(OC3CC3)c2F)c1	ZINC000852153153	FG	On-Demand	Mild	CCR3	17	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852153163	FG	On-Demand	Mild	CCR5	22	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852153163	FG	On-Demand	Mild	EPHX2	22	46
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852153163	FG	On-Demand	Mild	MCHR1	34	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852153164	FG	On-Demand	Mild	CCR5	22	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852153164	FG	On-Demand	Mild	EPHX2	22	46
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852153164	FG	On-Demand	Mild	MCHR1	34	40
CCC(C)(C)[C@@H](C)NC(=O)NCc1cc(C#N)ccc1F	ZINC000852153179	CG	On-Demand	Mild	CTRB_BOVIN	45	32
NC(=O)[C@@](O)(CN1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccccc1	ZINC000852153214	DA	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@](O)(CN1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccccc1	ZINC000852153221	DA	On-Demand	Anodyne	CYP2J2	48	34
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000852153273	JD	On-Demand	Anodyne	FDFT1	24	41
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000852153275	JD	On-Demand	Anodyne	FDFT1	24	41
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)[C@H](c2ccccc2)C1	ZINC000852153324	GF	On-Demand	Anodyne	GPR119	38	45
CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnccn2)[C@@H](c2ccccc2)C1	ZINC000852153326	GF	On-Demand	Anodyne	GPR119	38	45
C#CCCCNC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852153376	BD	On-Demand	Mild	EPHX2	17	43
N#Cc1ccc(F)c(CNC(=O)N2CCN([C@H]3CCOC3)CC2)c1	ZINC000852153389	ED	On-Demand	Mild	MAP3K12	46	34
N#Cc1ccc(F)c(CNC(=O)N2CCN([C@@H]3CCOC3)CC2)c1	ZINC000852153390	ED	On-Demand	Mild	MAP3K12	46	34
N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3C[C@H]3C2)c1	ZINC000852153397	CE	On-Demand	Mild	EPHX2	16	50
N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)c1	ZINC000852153398	CE	On-Demand	Mild	EPHX2	16	50
N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3C[C@@H]3C2)c1	ZINC000852153399	CE	On-Demand	Mild	EPHX2	16	50
N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3C[C@H]3C2)c1	ZINC000852153401	CE	On-Demand	Mild	EPHX2	16	50
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c(C)o1	ZINC000852153448	FI	On-Demand	Anodyne	PDE8B	55	33
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)c(C)o1	ZINC000852153451	FI	On-Demand	Anodyne	PDE8B	55	33
C#CCCCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852153464	EG	On-Demand	Mild	DRD3	18	44
C#CCCCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852153464	EG	On-Demand	Mild	BCL2A1	41	33
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852153475	EF	On-Demand	Mild	P2RX7	22	40
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852153475	EF	On-Demand	Mild	CCR3	35	45
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852153475	EF	On-Demand	Mild	MCHR1	29	43
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852153475	EF	On-Demand	Mild	CACNA1I	61	36
N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852153485	FF	On-Demand	Mild	SIGMAR1	20	42
N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852153492	FF	On-Demand	Mild	SIGMAR1	20	42
C#CCCCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852153513	EG	On-Demand	Mild	P2RY14	42	35
N#Cc1ccc(F)c(CNC(=O)N2C[C@H]3CC[C@@H](C3)C2)c1	ZINC000852153518	CF	On-Demand	Mild	P2RX7	29	40
C#CCCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852153526	CD	On-Demand	Mild	SIGMAR1	22	40
C#CCCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852153527	CD	On-Demand	Mild	SIGMAR1	22	40
C#CCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852153530	CD	On-Demand	Mild	CACNA1I	41	33
CS[C@H]1CC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852153611	EF	On-Demand	Anodyne	CACNA1I	48	32
O=C(NC[C@@H]1OCCc2sccc21)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852153640	EH	On-Demand	Anodyne	TRPM8	21	41
O=C(NC[C@@H]1OCCc2sccc21)N1CC[C@H]1c1ccc(F)cc1	ZINC000852153641	EH	On-Demand	Anodyne	TRPM8	21	41
O=C(NC[C@H]1OCCc2sccc21)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852153642	EH	On-Demand	Anodyne	TRPM8	21	41
O=C(NC[C@H]1OCCc2sccc21)N1CC[C@H]1c1ccc(F)cc1	ZINC000852153643	EH	On-Demand	Anodyne	TRPM8	21	41
C#CCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852153721	DC	On-Demand	Mild	CA2	17	42
C#CCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852153721	DC	On-Demand	Mild	CA1	17	42
C#CCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852153742	CE	On-Demand	Mild	MTNR1A	34	42
C#CCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852153742	CE	On-Demand	Mild	MTNR1B	28	42
C#CCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852153742	CE	On-Demand	Mild	HNMT	46	36
CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccn2)[C@H](c2ccccc2)C1	ZINC000852153766	GG	On-Demand	Anodyne	GPR119	33	43
N#Cc1ccc(F)c(CNC(=O)N2CCC(c3ccon3)CC2)c1	ZINC000852153767	EF	On-Demand	Mild	EPHX2	16	47
CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccn2)[C@@H](c2ccccc2)C1	ZINC000852153768	GG	On-Demand	Anodyne	GPR119	33	43
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccn2)[C@H](c2ccccc2)C1	ZINC000852153769	GG	On-Demand	Anodyne	GPR119	33	43
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccn2)[C@@H](c2ccccc2)C1	ZINC000852153770	GG	On-Demand	Anodyne	GPR119	33	43
CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852153780	JD	On-Demand	Anodyne	APP	37	41
CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852153785	JD	On-Demand	Anodyne	APP	37	41
C#CCCCNC(=O)N1CCN(c2ccc(OCC)nn2)CC1	ZINC000852153811	DD	On-Demand	Mild	SCD1	27	41
C#CCCCNC(=O)N1CCN(c2ccc(OCC)nn2)CC1	ZINC000852153811	DD	On-Demand	Mild	SCD	20	41
C#CCCCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852153823	CG	On-Demand	Mild	DNAE	74	33
COc1cccc([C@]2(C)CCN(C(=O)NCc3cc(C#N)ccc3F)C2)c1	ZINC000852153824	FH	On-Demand	Mild	DRD4	40	33
COc1cccc([C@]2(C)CCN(C(=O)NCc3cc(C#N)ccc3F)C2)c1	ZINC000852153824	FH	On-Demand	Mild	EPHX2	17	47
C#CCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852153828	CF	On-Demand	Mild	ADRA1A	41	37
C#CCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852153829	CF	On-Demand	Mild	ADRA1A	41	37
Cc1c(NC(=O)[C@@H](C)ON=Cc2cccc(F)c2)cccc1[N+](=O)[O-]	ZINC000852153844	EG	On-Demand	Mild	COLA	31	41
Cc1c(NC(=O)[C@H](C)ON=Cc2cccc(F)c2)cccc1[N+](=O)[O-]	ZINC000852153846	EG	On-Demand	Mild	COLA	31	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C#N)ccc3F)C2)cc1	ZINC000852153856	FF	On-Demand	Mild	EPHX2	16	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C#N)ccc3F)C2)cc1	ZINC000852153856	FF	On-Demand	Mild	MCHR1	15	42
CS[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852153878	FG	On-Demand	Anodyne	NPY1R	24	41
CS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852153884	FG	On-Demand	Anodyne	NPY1R	24	41
C#CCCCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852153996	DG	On-Demand	Mild	ADRA1D	35	41
C#CCCCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852153996	DG	On-Demand	Mild	ADRA1A	50	41
C#CCCCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852153996	DG	On-Demand	Mild	ADRA1B	36	41
C#CCCCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852153997	DG	On-Demand	Mild	ADRA1D	35	41
C#CCCCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852153997	DG	On-Demand	Mild	ADRA1A	50	41
C#CCCCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852153997	DG	On-Demand	Mild	ADRA1B	36	41
C#CCOCCN1CCN(c2ccc(C(=O)OC)s2)CC1	ZINC000852154007	DD	On-Demand	Mild	HTR1A	52	40
C#CCOCCN1CCN(c2ccc(C(=O)OC)s2)CC1	ZINC000852154007	DD	On-Demand	Mild	DRD3	54	38
C#CCCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852154009	EG	On-Demand	Mild	DRD2	17	44
C#CCCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852154009	EG	On-Demand	Mild	CNR1	54	33
C#CCCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852154009	EG	On-Demand	Mild	HTR2A	15	43
C#CCCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852154009	EG	On-Demand	Mild	HTR2C	15	43
C#CCCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852154009	EG	On-Demand	Mild	DRD3	39	48
C#CCCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852154009	EG	On-Demand	Mild	CNR2	16	45
C#CCCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852154009	EG	On-Demand	Mild	MC4R	55	36
C#CCCCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852154009	EG	On-Demand	Mild	CXCR3	18	46
COC[C@@H](CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)OC	ZINC000852154021	FF	On-Demand	Anodyne	GPR119	23	40
COC[C@@H](CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)OC	ZINC000852154022	FF	On-Demand	Anodyne	GPR119	23	40
C#CCCCNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852154095	DG	On-Demand	Mild	MDM2	52	32
N#Cc1ccc(F)c(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852154132	FF	On-Demand	Mild	SCN2A	20	49
N#Cc1ccc(F)c(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852154132	FF	On-Demand	Mild	SCN10A	29	49
N#Cc1ccc(F)c(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852154132	FF	On-Demand	Mild	GPBAR1	29	40
CS[C@H]1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852154136	FI	On-Demand	Anodyne	KCNH2	40	38
CS[C@H]1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852154136	FI	On-Demand	Anodyne	GLRA1	41	31
N#Cc1ccc(F)c(CNC(=O)NCCN2C[C@@H]3CCCCN3C2=O)c1	ZINC000852154147	FD	On-Demand	Mild	P2RX7	33	42
N#Cc1ccc(F)c(CNC(=O)NCCN2C[C@H]3CCCCN3C2=O)c1	ZINC000852154148	FD	On-Demand	Mild	P2RX7	33	42
N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852154171	GH	On-Demand	Mild	P2RX7	47	41
N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852154171	GH	On-Demand	Mild	CCR3	18	41
N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852154171	GH	On-Demand	Mild	EPHX2	21	42
N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852154174	GH	On-Demand	Mild	P2RX7	47	41
N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852154174	GH	On-Demand	Mild	CCR3	18	41
N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1	ZINC000852154174	GH	On-Demand	Mild	EPHX2	21	42
CCOC(=O)N1CCN(C(=O)CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)CC1	ZINC000852154178	GD	On-Demand	Anodyne	P2RY12	185	40
CCOC(=O)N1CCN(C(=O)CN(C)[C@@H](c2ccccc2)c2nc[nH]n2)CC1	ZINC000852154178	GD	On-Demand	Anodyne	PTAFR	20	45
CCOC(=O)N1CCN(C(=O)CN(C)[C@H](c2ccccc2)c2nc[nH]n2)CC1	ZINC000852154180	GD	On-Demand	Anodyne	P2RY12	185	40
CCOC(=O)N1CCN(C(=O)CN(C)[C@H](c2ccccc2)c2nc[nH]n2)CC1	ZINC000852154180	GD	On-Demand	Anodyne	PTAFR	20	45
C[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CCN1S(C)(=O)=O	ZINC000852154195	FC	On-Demand	Mild	EPHX2	16	46
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852154275	GG	On-Demand	Anodyne	GRIN2B	23	41
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852154275	GG	On-Demand	Anodyne	GPR119	43	42
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852154276	GG	On-Demand	Anodyne	GRIN2B	23	41
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852154276	GG	On-Demand	Anodyne	GPR119	43	42
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852154336	JD	On-Demand	Anodyne	MC4R	90	42
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852154337	JD	On-Demand	Anodyne	MC4R	90	42
C#CCCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852154341	EE	On-Demand	Mild	SSTR3	31	47
O[C@@H](CN1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154363	GI	On-Demand	Anodyne	DRD4	19	41
O[C@@H](CN1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154363	GI	On-Demand	Anodyne	ACHE	22	40
O[C@@H](CN1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154363	GI	On-Demand	Anodyne	SIGMAR1	35	47
O[C@H](CN1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154364	GI	On-Demand	Anodyne	DRD4	19	41
O[C@H](CN1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154364	GI	On-Demand	Anodyne	ACHE	22	40
O[C@H](CN1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154364	GI	On-Demand	Anodyne	SIGMAR1	35	47
O[C@H](CN1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154365	GI	On-Demand	Anodyne	DRD4	19	41
O[C@H](CN1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154365	GI	On-Demand	Anodyne	ACHE	22	40
O[C@H](CN1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154365	GI	On-Demand	Anodyne	SIGMAR1	35	47
O[C@@H](CN1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154366	GI	On-Demand	Anodyne	DRD4	19	41
O[C@@H](CN1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154366	GI	On-Demand	Anodyne	ACHE	22	40
O[C@@H](CN1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1)c1ccccn1	ZINC000852154366	GI	On-Demand	Anodyne	SIGMAR1	35	47
Cn1ncc(C2CC2)c1CNC(=O)NCc1cc(C#N)ccc1F	ZINC000852154432	EE	On-Demand	Mild	P2RX7	44	44
CS[C@@H]1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852154449	EE	On-Demand	Anodyne	PYGL	33	48
CS[C@@H]1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852154449	EE	On-Demand	Anodyne	PYGM	30	48
CS[C@@H]1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852154452	EE	On-Demand	Anodyne	PYGL	33	48
CS[C@@H]1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852154452	EE	On-Demand	Anodyne	PYGM	30	48
N#Cc1ccc(F)c(CNC(=O)NCCCC2CCC2)c1	ZINC000852154478	CG	On-Demand	Mild	CCR3	20	45
N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852154492	EF	On-Demand	Mild	MCHR1	16	40
N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852154493	EF	On-Demand	Mild	MCHR1	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)COCc3ccccc3)C2)cc1	ZINC000852154503	GG	On-Demand	Clean	SIGMAR1	20	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)COCc3ccccc3)C2)cc1	ZINC000852154505	GG	On-Demand	Clean	SIGMAR1	20	45
C#CCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852154523	DD	On-Demand	Mild	MTNR1A	21	45
C#CCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852154523	DD	On-Demand	Mild	MTNR1B	18	45
C#CCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852154524	DD	On-Demand	Mild	MTNR1A	21	45
C#CCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852154524	DD	On-Demand	Mild	MTNR1B	18	45
C#CCCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852154525	DF	On-Demand	Mild	SCD1	15	41
C#CCCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852154525	DF	On-Demand	Mild	SCD	28	41
C#CCCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852154525	DF	On-Demand	Mild	TRPM8	23	52
C#CCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852154528	CD	On-Demand	Mild	SCN2A	19	46
C#CCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852154528	CD	On-Demand	Mild	SCN10A	20	46
C#CCCCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852154540	DG	On-Demand	Mild	KCNH2	41	40
C#CCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852154547	CE	On-Demand	Mild	DRD4	44	34
C#CCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852154547	CE	On-Demand	Mild	DRD3	15	42
C#CCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852154547	CE	On-Demand	Mild	DRD5	15	42
C#CCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852154547	CE	On-Demand	Mild	MTNR1A	48	41
C#CCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852154547	CE	On-Demand	Mild	MTNR1B	46	41
C#CCCCNC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852154548	GG	On-Demand	Mild	GPR119	18	40
C#CCCCNC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852154549	GG	On-Demand	Mild	GPR119	18	40
C#CCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852154552	DE	On-Demand	Mild	ACHE	33	48
C#CCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852154552	DE	On-Demand	Mild	SIGMAR1	25	44
C#CCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852154552	DE	On-Demand	Mild	SSTR5	40	34
C#CCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852154552	DE	On-Demand	Mild	CACNA1I	61	41
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)co1	ZINC000852154570	FH	On-Demand	Anodyne	GPR119	29	41
Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)co1	ZINC000852154571	FH	On-Demand	Anodyne	GPR119	29	41
C#CCCCNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852154664	CE	On-Demand	Mild	MTNR1A	18	43
C#CCCCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852154682	GG	On-Demand	Mild	GPR119	29	45
C#CCCCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852154683	GG	On-Demand	Mild	GPR119	29	45
O=C1CC[C@@H](CN2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)O1	ZINC000852154696	FH	On-Demand	Anodyne	ACHE	35	46
O=C1CC[C@@H](CN2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)O1	ZINC000852154696	FH	On-Demand	Anodyne	SIGMAR1	57	47
O=C1CC[C@H](CN2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)O1	ZINC000852154698	FH	On-Demand	Anodyne	ACHE	35	46
O=C1CC[C@H](CN2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)O1	ZINC000852154698	FH	On-Demand	Anodyne	SIGMAR1	57	47
O=C1CC[C@@H](CN2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)O1	ZINC000852154699	FH	On-Demand	Anodyne	ACHE	35	46
O=C1CC[C@@H](CN2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)O1	ZINC000852154699	FH	On-Demand	Anodyne	SIGMAR1	57	47
O=C1CC[C@H](CN2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)O1	ZINC000852154701	FH	On-Demand	Anodyne	ACHE	35	46
O=C1CC[C@H](CN2CCCCC[C@H]2C2CCN(Cc3ccccc3)CC2)O1	ZINC000852154701	FH	On-Demand	Anodyne	SIGMAR1	57	47
C#CCCCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852154727	EF	On-Demand	Mild	NQO2	21	40
C#CCCCNC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852154728	EF	On-Demand	Mild	NQO2	21	40
C#CCCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852154741	DF	On-Demand	Mild	DRD4	45	35
C#CCCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852154741	DF	On-Demand	Mild	MTNR1A	44	39
C#CCCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852154741	DF	On-Demand	Mild	MTNR1B	46	39
C#CCCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852154743	DF	On-Demand	Mild	DRD4	45	35
C#CCCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852154743	DF	On-Demand	Mild	MTNR1A	44	39
C#CCCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852154743	DF	On-Demand	Mild	MTNR1B	46	39
COCCN(CCF)C(=O)N[C@@H](C)COCc1ccccc1	ZINC000852154758	DE	On-Demand	Anodyne	CTSK	15	40
COCCN(CCF)C(=O)N[C@@H](C)COCc1ccccc1	ZINC000852154758	DE	On-Demand	Anodyne	CAPN2	47	34
COCCN(CCF)C(=O)N[C@@H](C)COCc1ccccc1	ZINC000852154758	DE	On-Demand	Anodyne	NPR	59	32
COCCN(CCF)C(=O)N[C@H](C)COCc1ccccc1	ZINC000852154760	DE	On-Demand	Anodyne	CTSK	15	40
COCCN(CCF)C(=O)N[C@H](C)COCc1ccccc1	ZINC000852154760	DE	On-Demand	Anodyne	CAPN2	47	34
COCCN(CCF)C(=O)N[C@H](C)COCc1ccccc1	ZINC000852154760	DE	On-Demand	Anodyne	NPR	59	32
N#Cc1ccc(F)c(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852154801	GF	On-Demand	Mild	MCHR1	17	40
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2	ZINC000852154810	JF	On-Demand	Anodyne	SCARB1	22	40
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2	ZINC000852154811	JF	On-Demand	Anodyne	SCARB1	22	40
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852154840	JE	On-Demand	Anodyne	RORC	17	42
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852154841	JE	On-Demand	Anodyne	RORC	17	42
C#CCCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852154872	CD	On-Demand	Mild	PYGL	35	48
C#CCCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852154872	CD	On-Demand	Mild	PYGM	31	48
C#CCCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852154873	CD	On-Demand	Mild	PYGL	35	48
C#CCCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852154873	CD	On-Demand	Mild	PYGM	31	48
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852154880	JD	On-Demand	Anodyne	MC4R	40	36
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852154880	JD	On-Demand	Anodyne	AKT2	18	40
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852154880	JD	On-Demand	Anodyne	AKT3	36	40
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852154880	JD	On-Demand	Anodyne	AKT1	30	40
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852154881	JD	On-Demand	Anodyne	MC4R	40	36
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852154881	JD	On-Demand	Anodyne	AKT2	18	40
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852154881	JD	On-Demand	Anodyne	AKT3	36	40
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852154881	JD	On-Demand	Anodyne	AKT1	30	40
COC(=O)N(C)CCNC(=O)N[C@H](C)COCc1ccccc1	ZINC000852154887	DD	On-Demand	Anodyne	CTSK	20	41
COC(=O)N(C)CCNC(=O)N[C@H](C)COCc1ccccc1	ZINC000852154887	DD	On-Demand	Anodyne	CAPNS1	43	33
COC(=O)N(C)CCNC(=O)N[C@H](C)COCc1ccccc1	ZINC000852154887	DD	On-Demand	Anodyne	CAPN1	49	40
COC(=O)N(C)CCNC(=O)N[C@H](C)COCc1ccccc1	ZINC000852154887	DD	On-Demand	Anodyne	CAPN2	70	37
COC(=O)N(C)CCNC(=O)N[C@H](C)COCc1ccccc1	ZINC000852154887	DD	On-Demand	Anodyne	NPR	67	33
COC(=O)N(C)CCNC(=O)N[C@@H](C)COCc1ccccc1	ZINC000852154888	DD	On-Demand	Anodyne	CTSK	20	41
COC(=O)N(C)CCNC(=O)N[C@@H](C)COCc1ccccc1	ZINC000852154888	DD	On-Demand	Anodyne	CAPNS1	43	33
COC(=O)N(C)CCNC(=O)N[C@@H](C)COCc1ccccc1	ZINC000852154888	DD	On-Demand	Anodyne	CAPN1	49	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)COCc1ccccc1	ZINC000852154888	DD	On-Demand	Anodyne	CAPN2	70	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)COCc1ccccc1	ZINC000852154888	DD	On-Demand	Anodyne	NPR	67	33
C#CCCCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852154918	CE	On-Demand	Mild	EPHX2	29	40
N#Cc1ccc(F)c(CNC(=O)N2CCC[C@H](C3CCC3)C2)c1	ZINC000852154945	DG	On-Demand	Mild	EPHX2	16	49
N#Cc1ccc(F)c(CNC(=O)N2CCC[C@@H](C3CCC3)C2)c1	ZINC000852154946	DG	On-Demand	Mild	EPHX2	16	49
N#Cc1ccc(F)c(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)c1	ZINC000852154952	EG	On-Demand	Mild	EPHX2	38	47
CS[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852154960	FF	On-Demand	Anodyne	ACHE	21	43
CS[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852154960	FF	On-Demand	Anodyne	SIGMAR1	25	41
CS[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852154960	FF	On-Demand	Anodyne	SSTR5	45	34
CS[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852154960	FF	On-Demand	Anodyne	MCHR1	20	40
CS[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852154960	FF	On-Demand	Anodyne	CACNA1I	61	41
N#Cc1ccc(F)c(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852154980	GH	On-Demand	Mild	KCNH2	43	40
N#Cc1ccc(F)c(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852154980	GH	On-Demand	Mild	EPHX2	21	51
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852154985	GF	On-Demand	Mild	ACHE	23	41
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852154985	GF	On-Demand	Mild	SIGMAR1	28	46
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852154985	GF	On-Demand	Mild	CCR3	45	43
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852154985	GF	On-Demand	Mild	MCHR1	44	42
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852154985	GF	On-Demand	Mild	CACNA1I	62	41
N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3COC[C@H]3C2)c1	ZINC000852155019	DD	On-Demand	Mild	EPHX2	15	48
N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3COC[C@H]3C2)c1	ZINC000852155019	DD	On-Demand	Mild	MAP3K12	45	32
N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)c1	ZINC000852155020	DD	On-Demand	Mild	EPHX2	15	48
N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)c1	ZINC000852155020	DD	On-Demand	Mild	MAP3K12	45	32
N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)c1	ZINC000852155021	DD	On-Demand	Mild	EPHX2	15	48
N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)c1	ZINC000852155021	DD	On-Demand	Mild	MAP3K12	45	32
N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)c1	ZINC000852155022	DD	On-Demand	Mild	EPHX2	15	48
N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)c1	ZINC000852155022	DD	On-Demand	Mild	MAP3K12	45	32
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852155043	FE	On-Demand	Mild	CCR3	15	41
N#Cc1ccc(F)c(CNC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852155043	FE	On-Demand	Mild	CACNA1I	45	31
CC(C)(C)N1CC[C@H](NC(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852155089	DE	On-Demand	Mild	P2RX7	37	40
CC(C)(C)N1CC[C@H](NC(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852155089	DE	On-Demand	Mild	MCHR1	17	43
CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852155090	DE	On-Demand	Mild	P2RX7	37	40
CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc(C#N)ccc2F)C1	ZINC000852155090	DE	On-Demand	Mild	MCHR1	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3F)C2)cc1	ZINC000852155122	GG	On-Demand	Clean	ADRA1D	22	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3F)C2)cc1	ZINC000852155122	GG	On-Demand	Clean	ADRA1A	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)Oc3ccccc3F)C2)cc1	ZINC000852155122	GG	On-Demand	Clean	ADRA1B	15	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3F)C2)cc1	ZINC000852155123	GG	On-Demand	Clean	ADRA1D	22	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3F)C2)cc1	ZINC000852155123	GG	On-Demand	Clean	ADRA1A	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)Oc3ccccc3F)C2)cc1	ZINC000852155123	GG	On-Demand	Clean	ADRA1B	15	42
CN(C[C@H](O)CN1CCCC1)[C@@H](c1ccccc1)c1nc[nH]n1	ZINC000852155148	DD	On-Demand	Anodyne	OPRK1	18	43
CN(C[C@H](O)CN1CCCC1)[C@H](c1ccccc1)c1nc[nH]n1	ZINC000852155150	DD	On-Demand	Anodyne	OPRK1	18	43
Cc1nc(CN2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)o1	ZINC000852155170	EG	On-Demand	Anodyne	PDE8B	43	32
Cc1nc(CN2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c(C)o1	ZINC000852155171	EG	On-Demand	Anodyne	PDE8B	43	32
Cc1nc(CN2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)c(C)o1	ZINC000852155172	EG	On-Demand	Anodyne	PDE8B	43	32
Cc1nc(CN2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)o1	ZINC000852155173	EG	On-Demand	Anodyne	PDE8B	43	32
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H]1c1ccccc1	ZINC000852155203	FD	On-Demand	Anodyne	SLC6A4	23	46
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H]1c1ccccc1	ZINC000852155203	FD	On-Demand	Anodyne	SLC6A3	40	53
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H]1c1ccccc1	ZINC000852155203	FD	On-Demand	Anodyne	CHRM3	20	45
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1c1ccccc1	ZINC000852155204	FD	On-Demand	Anodyne	SLC6A4	23	46
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1c1ccccc1	ZINC000852155204	FD	On-Demand	Anodyne	SLC6A3	40	53
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1c1ccccc1	ZINC000852155204	FD	On-Demand	Anodyne	CHRM3	20	45
CC(C)(C)OC(=O)[C@]1(C)CCN([C@H](C#N)c2ccccc2)C1	ZINC000852155246	DG	On-Demand	Mild	PTAFR	35	41
CC(C)(C)OC(=O)[C@]1(C)CCN([C@@H](C#N)c2ccccc2)C1	ZINC000852155247	DG	On-Demand	Mild	PTAFR	35	41
CC(C)(C)OC(=O)[C@]1(C)CCN(CCc2ccc(C#N)cc2)C1	ZINC000852155260	DG	On-Demand	Mild	KCNJ1	33	48
COC(=O)[C@@H]1CN(CC=C(Cl)Cl)C[C@@H]1c1ccccc1	ZINC000852155270	DG	On-Demand	Anodyne	SLC6A4	41	46
COC(=O)[C@@H]1CN(CC=C(Cl)Cl)C[C@@H]1c1ccccc1	ZINC000852155270	DG	On-Demand	Anodyne	SLC6A3	67	53
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155316	DE	On-Demand	Anodyne	SLC6A2	17	51
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155316	DE	On-Demand	Anodyne	SLC6A4	48	51
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155316	DE	On-Demand	Anodyne	SLC6A3	87	54
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155316	DE	On-Demand	Anodyne	GLRA1	44	34
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155317	DE	On-Demand	Anodyne	SLC6A2	17	51
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155317	DE	On-Demand	Anodyne	SLC6A4	48	51
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155317	DE	On-Demand	Anodyne	SLC6A3	87	54
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155317	DE	On-Demand	Anodyne	GLRA1	44	34
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155318	DE	On-Demand	Anodyne	SLC6A2	17	51
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155318	DE	On-Demand	Anodyne	SLC6A4	48	51
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155318	DE	On-Demand	Anodyne	SLC6A3	87	54
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155318	DE	On-Demand	Anodyne	GLRA1	44	34
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155319	DE	On-Demand	Anodyne	SLC6A2	17	51
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155319	DE	On-Demand	Anodyne	SLC6A4	48	51
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155319	DE	On-Demand	Anodyne	SLC6A3	87	54
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@H]1c1ccccc1	ZINC000852155319	DE	On-Demand	Anodyne	GLRA1	44	34
COC(=O)[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@@H]1c1ccccc1	ZINC000852155331	DE	On-Demand	Anodyne	SLC6A3	24	46
COC(=O)[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@@H]1c1ccccc1	ZINC000852155332	DE	On-Demand	Anodyne	SLC6A3	24	46
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@H]1c1ccccc1	ZINC000852155333	DD	On-Demand	Anodyne	SLC6A4	36	49
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@H]1c1ccccc1	ZINC000852155333	DD	On-Demand	Anodyne	SLC6A3	68	47
COC(=O)[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@@H]1c1ccccc1	ZINC000852155335	EE	On-Demand	Anodyne	SLC6A4	18	45
COC(=O)[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@@H]1c1ccccc1	ZINC000852155335	EE	On-Demand	Anodyne	SLC6A3	33	51
COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@@H]1c1ccccc1	ZINC000852155336	EE	On-Demand	Anodyne	SLC6A4	18	45
COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@@H]1c1ccccc1	ZINC000852155336	EE	On-Demand	Anodyne	SLC6A3	33	51
CCOP(=O)(OCC)[C@H](O)CN1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000852155345	GE	On-Demand	Anodyne	SLC6A4	18	41
CCOP(=O)(OCC)[C@H](O)CN1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000852155345	GE	On-Demand	Anodyne	ADAM9	63	36
CCOP(=O)(OCC)[C@@H](O)CN1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000852155346	GE	On-Demand	Anodyne	SLC6A4	18	41
CCOP(=O)(OCC)[C@@H](O)CN1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000852155346	GE	On-Demand	Anodyne	ADAM9	63	36
CCOP(=O)(OCC)[C@H](O)CN1CCc2c(cccc2C(=O)OC)C1	ZINC000852155376	FE	On-Demand	Anodyne	ADAM9	64	35
CCOP(=O)(OCC)[C@H](O)CN1CCc2c(cccc2C(=O)OC)C1	ZINC000852155376	FE	On-Demand	Anodyne	NOD2	43	39
CCOP(=O)(OCC)[C@@H](O)CN1CCc2c(cccc2C(=O)OC)C1	ZINC000852155377	FE	On-Demand	Anodyne	ADAM9	64	35
CCOP(=O)(OCC)[C@@H](O)CN1CCc2c(cccc2C(=O)OC)C1	ZINC000852155377	FE	On-Demand	Anodyne	NOD2	43	39
COC(=O)[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@@H]1c1ccccc1	ZINC000852155378	EE	On-Demand	Anodyne	SLC6A4	22	42
COC(=O)[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@@H]1c1ccccc1	ZINC000852155378	EE	On-Demand	Anodyne	SLC6A3	43	42
COC(=O)[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@@H]1c1ccccc1	ZINC000852155379	EE	On-Demand	Anodyne	SLC6A4	22	42
COC(=O)[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@@H]1c1ccccc1	ZINC000852155379	EE	On-Demand	Anodyne	SLC6A3	43	42
C[C@@H]1CCN(Cc2cnc3ccccc3n2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852155396	FH	On-Demand	Anodyne	ACACB	16	42
C[C@H]1CCN(Cc2cnc3ccccc3n2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852155397	FH	On-Demand	Anodyne	ACACB	16	42
C[C@@H]1CCN(Cc2cnc3ccccc3n2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852155398	FH	On-Demand	Anodyne	ACACB	16	42
C[C@H]1CCN(Cc2cnc3ccccc3n2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852155399	FH	On-Demand	Anodyne	ACACB	16	42
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1	ZINC000852155412	IC	On-Demand	Anodyne	DPP7	42	41
C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C(N)=O)C1	ZINC000852155413	IC	On-Demand	Anodyne	DPP7	42	41
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1	ZINC000852155414	IC	On-Demand	Anodyne	DPP7	42	41
C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C(N)=O)C1	ZINC000852155415	IC	On-Demand	Anodyne	DPP7	42	41
COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	ZINC000852155476	JF	On-Demand	Anodyne	HCRTR2	15	41
COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	ZINC000852155477	JF	On-Demand	Anodyne	HCRTR2	15	41
CN(CCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852155506	EF	On-Demand	Bother	COLA	64	38
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cccc(F)n2)CCCO1	ZINC000852155567	EE	On-Demand	Anodyne	PDE8B	59	36
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(F)n2)CCCO1	ZINC000852155568	EE	On-Demand	Anodyne	PDE8B	59	36
COC(=O)[C@H](NCCC(OC)OC)c1ccc(Cl)cc1	ZINC000852155640	DE	On-Demand	Anodyne	UTS2	41	33
CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN([C@@H]3C[C@@H]3c3ccccc3)C2)nn1	ZINC000852155715	GG	On-Demand	Anodyne	SSTR2	46	34
CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN([C@@H]3C[C@@H]3c3ccccc3)C2)nn1	ZINC000852155715	GG	On-Demand	Anodyne	PREP	18	54
COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)nc2)C[C@@H]1c1ccccc1	ZINC000852155758	FF	On-Demand	Anodyne	SLC6A4	20	41
COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)nc2)C[C@@H]1c1ccccc1	ZINC000852155758	FF	On-Demand	Anodyne	SLC6A3	36	43
CN(CCNC(=O)OC(C)(C)C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852155781	EC	On-Demand	Anodyne	AMY2	55	35
CN(CCNC(=O)OC(C)(C)C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852155782	EC	On-Demand	Anodyne	AMY2	55	35
CC(C)(C)OC(=O)NC[C@@H]1CN(CCc2ccc(C#N)cc2)CCCO1	ZINC000852155835	FF	On-Demand	Mild	KCNJ1	24	40
CC(C)(C)OC(=O)NC[C@H]1CN(CCc2ccc(C#N)cc2)CCCO1	ZINC000852155836	FF	On-Demand	Mild	KCNJ1	24	40
Fc1ccc(C=NOCCOc2ccccc2)cc1	ZINC000852155860	CG	On-Demand	Mild	FAAH	17	42
CN(CCNC(=O)OC(C)(C)C)Cc1cn(C)cn1	ZINC000852155865	CD	On-Demand	Anodyne	CPB2	16	41
CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2cccc(N)c2)C1	ZINC000852155917	CF	On-Demand	Anodyne	HRH2	19	40
O[C@@H](CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccn1	ZINC000852155947	FH	On-Demand	Anodyne	PRCP	42	37
O[C@H](CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccn1	ZINC000852155948	FH	On-Demand	Anodyne	PRCP	42	37
O[C@@H](CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccn1	ZINC000852155950	FH	On-Demand	Anodyne	PRCP	42	37
O[C@H](CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccn1	ZINC000852155952	FH	On-Demand	Anodyne	PRCP	42	37
C[C@H]1CCN(Cc2coc(S(N)(=O)=O)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852155962	GD	On-Demand	Anodyne	CACNA1I	40	31
C[C@H]1CCN(Cc2coc(S(N)(=O)=O)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852155963	GD	On-Demand	Anodyne	CACNA1I	40	31
C[C@@H]1CCN(Cc2coc(S(N)(=O)=O)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852155964	GD	On-Demand	Anodyne	CACNA1I	40	31
C[C@@H]1CCN(Cc2coc(S(N)(=O)=O)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852155965	GD	On-Demand	Anodyne	CACNA1I	40	31
NC(=O)[C@@](O)(CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1	ZINC000852155968	GG	On-Demand	Anodyne	PRCP	53	43
NC(=O)[C@](O)(CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1	ZINC000852155971	GG	On-Demand	Anodyne	PRCP	53	43
NC(=O)[C@](O)(CN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1	ZINC000852155972	GG	On-Demand	Anodyne	PRCP	53	43
NC(=O)[C@@](O)(CN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1	ZINC000852155973	GG	On-Demand	Anodyne	PRCP	53	43
O=C(NCCOC1CCC1)NCc1ccc(Cl)c(Cl)c1	ZINC000852155974	DG	On-Demand	Anodyne	OPRK1	18	41
O=C(NCCOC1CCC1)NCc1ccc(Cl)c(Cl)c1	ZINC000852155974	DG	On-Demand	Anodyne	SSTR3	15	41
O=C(NCCOC1CCC1)NCc1ccc(Cl)c(Cl)c1	ZINC000852155974	DG	On-Demand	Anodyne	DNAE	75	34
CCc1cnc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1	ZINC000852155982	FF	On-Demand	Clean	NPBWR1	55	34
CCc1cnc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1	ZINC000852155984	FF	On-Demand	Clean	NPBWR1	55	34
COc1cccc([C@]2(C)CCN(C(=O)NCCOC3CCC3)C2)c1	ZINC000852155989	EF	On-Demand	Anodyne	DRD4	42	32
COc1cccc([C@]2(C)CCN(C(=O)NCCOC3CCC3)C2)c1	ZINC000852155989	EF	On-Demand	Anodyne	MTNR1A	39	40
COc1cccc([C@]2(C)CCN(C(=O)NCCOC3CCC3)C2)c1	ZINC000852155989	EF	On-Demand	Anodyne	MTNR1B	40	43
O=C(NCCOC1CCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852156004	EE	On-Demand	Anodyne	ADRB1	17	40
O=C(NCCOC1CCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852156005	EE	On-Demand	Anodyne	ADRB1	17	40
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2nsc3ccccc23)CCCO1	ZINC000852156037	GG	On-Demand	Anodyne	PDE8B	23	42
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2nsc3ccccc23)CCCO1	ZINC000852156038	GG	On-Demand	Anodyne	PDE8B	23	42
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCCOC1CCC1)CCC2	ZINC000852156051	FF	On-Demand	Anodyne	NQO2	22	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCCOC1CCC1)CCC2	ZINC000852156052	FF	On-Demand	Anodyne	NQO2	22	41
CCc1cnc(CNC(=O)N2CCN(c3ccc(C)cc3C)CC2)s1	ZINC000852156088	FG	On-Demand	Anodyne	P2RY12	20	42
C#CCOCCN1CCc2c(cccc2C(=O)OC)C1	ZINC000852156164	CD	On-Demand	Mild	SLC6A1	50	35
CC(C)(C)OC(=O)NC[C@H]1CN([C@H](C#N)c2ccccc2)CCCO1	ZINC000852156167	EF	On-Demand	Mild	PTAFR	32	41
CC(C)(C)OC(=O)NC[C@@H]1CN([C@H](C#N)c2ccccc2)CCCO1	ZINC000852156168	EF	On-Demand	Mild	PTAFR	32	41
CC(C)(C)OC(=O)NC[C@H]1CN([C@@H](C#N)c2ccccc2)CCCO1	ZINC000852156170	EF	On-Demand	Mild	PTAFR	32	41
CC(C)(C)OC(=O)NC[C@@H]1CN([C@@H](C#N)c2ccccc2)CCCO1	ZINC000852156172	EF	On-Demand	Mild	PTAFR	32	41
Cc1nc(CN2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(C)o1	ZINC000852156216	EE	On-Demand	Anodyne	PDE8B	37	46
Cc1nc(CN2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c(C)o1	ZINC000852156218	EE	On-Demand	Anodyne	PDE8B	37	46
COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1F	ZINC000852156225	JF	On-Demand	Anodyne	BMP1	24	41
COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1F	ZINC000852156228	JF	On-Demand	Anodyne	BMP1	24	41
O=C(NCCOC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852156248	EG	On-Demand	Anodyne	EPHX2	15	52
O=C(NCCOC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852156248	EG	On-Demand	Anodyne	SCD1	17	40
O=C(NCCOC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852156248	EG	On-Demand	Anodyne	SCD	25	40
O=C(NCCOC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852156248	EG	On-Demand	Anodyne	TRPM8	27	50
CC(C)(C)OC(=O)NC[C@H]1CN(CCc2nsc3ccccc23)CCCO1	ZINC000852156251	GG	On-Demand	Anodyne	HTR1A	15	45
CC(C)(C)OC(=O)NC[C@H]1CN(CCc2nsc3ccccc23)CCCO1	ZINC000852156251	GG	On-Demand	Anodyne	DRD2	19	45
CC(C)(C)OC(=O)NC[C@@H]1CN(CCc2nsc3ccccc23)CCCO1	ZINC000852156252	GG	On-Demand	Anodyne	HTR1A	15	45
CC(C)(C)OC(=O)NC[C@@H]1CN(CCc2nsc3ccccc23)CCCO1	ZINC000852156252	GG	On-Demand	Anodyne	DRD2	19	45
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@@H]1c1ccccc1	ZINC000852156271	DD	On-Demand	Anodyne	SLC6A4	30	44
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@@H]1c1ccccc1	ZINC000852156271	DD	On-Demand	Anodyne	SLC6A3	54	42
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@@H]1c1ccccc1	ZINC000852156272	DD	On-Demand	Anodyne	SLC6A4	30	44
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@@H]1c1ccccc1	ZINC000852156272	DD	On-Demand	Anodyne	SLC6A3	54	42
O=C1CC[C@H](CN2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)O1	ZINC000852156313	EG	On-Demand	Anodyne	PRCP	43	36
O=C1CC[C@H](CN2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)O1	ZINC000852156315	EG	On-Demand	Anodyne	PRCP	43	36
O=C1CC[C@@H](CN2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)O1	ZINC000852156317	EG	On-Demand	Anodyne	PRCP	43	36
O=C1CC[C@@H](CN2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)O1	ZINC000852156320	EG	On-Demand	Anodyne	PRCP	43	36
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCOC1CCC1	ZINC000852156328	DE	On-Demand	Anodyne	EPHX2	15	42
O=C(NCCOC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852156354	EE	On-Demand	Anodyne	ACHE	31	48
O=C(NCCOC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852156354	EE	On-Demand	Anodyne	SIGMAR1	25	44
O=C(NCCOC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852156354	EE	On-Demand	Anodyne	SSTR5	50	35
O=C(NCCOC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852156354	EE	On-Demand	Anodyne	CACNA1I	61	41
O=C(NCCOC1CCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852156360	EF	On-Demand	Anodyne	ADRB1	29	45
O=C(NCCOC1CCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852156360	EF	On-Demand	Anodyne	ADRB3	25	41
O=C(NCCOC1CCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852156362	EF	On-Demand	Anodyne	ADRB1	29	45
O=C(NCCOC1CCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852156362	EF	On-Demand	Anodyne	ADRB3	25	41
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@@H]1c1ccccc1	ZINC000852156403	DF	On-Demand	Anodyne	SLC6A3	33	41
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@@H]1c1ccccc1	ZINC000852156403	DF	On-Demand	Anodyne	PDE8B	55	36
Fc1cccc(CN2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1	ZINC000852156412	EI	On-Demand	Anodyne	PRCP	42	38
Fc1cccc(CN2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1	ZINC000852156414	EI	On-Demand	Anodyne	PRCP	42	38
COC(=O)[C@@H]1CN(CC2=NS(=O)(=O)c3ccccc32)C[C@@H]1c1ccccc1	ZINC000852156417	GE	On-Demand	Anodyne	SLC6A3	22	48
CN(CCNC(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1	ZINC000852156426	CF	On-Demand	Mild	CTSB	41	43
CN(CCNC(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1	ZINC000852156426	CF	On-Demand	Mild	PAPA1_CARPA	54	45
CN(CCNC(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1	ZINC000852156426	CF	On-Demand	Mild	CTSL	18	45
CN(CCNC(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1	ZINC000852156428	CF	On-Demand	Mild	CTSB	41	43
CN(CCNC(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1	ZINC000852156428	CF	On-Demand	Mild	PAPA1_CARPA	54	45
CN(CCNC(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1	ZINC000852156428	CF	On-Demand	Mild	CTSL	18	45
O=C(NCCOC1CCC1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852156448	DE	On-Demand	Anodyne	EPHX2	40	41
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156459	FF	On-Demand	Anodyne	ACHE	22	40
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156459	FF	On-Demand	Anodyne	BCHE	38	40
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156459	FF	On-Demand	Anodyne	ACACB	15	42
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156459	FF	On-Demand	Anodyne	HNMT	49	32
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156459	FF	On-Demand	Anodyne	PDE8B	22	41
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156460	FF	On-Demand	Anodyne	ACHE	22	40
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156460	FF	On-Demand	Anodyne	BCHE	38	40
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156460	FF	On-Demand	Anodyne	ACACB	15	42
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156460	FF	On-Demand	Anodyne	HNMT	49	32
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cnc3ccccc3n2)CCCO1	ZINC000852156460	FF	On-Demand	Anodyne	PDE8B	22	41
O=C(CON=Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852156470	JF	On-Demand	Mild	TRY2_BOVIN	58	40
O=C(CON=Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852156470	JF	On-Demand	Mild	PKM	29	47
O=C(CON=Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852156470	JF	On-Demand	Mild	TGM2	45	38
O=C(CON=Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852156470	JF	On-Demand	Mild	F13A1	57	41
O=C(NCCOC1CCC1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852156489	DE	On-Demand	Anodyne	DRD2	18	45
O=C(NCCOC1CCC1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852156489	DE	On-Demand	Anodyne	SIGMAR1	25	43
O=C(NCCOC1CCC1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852156490	DE	On-Demand	Anodyne	DRD2	18	45
O=C(NCCOC1CCC1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852156490	DE	On-Demand	Anodyne	SIGMAR1	25	43
COC(=O)[C@H](NCc1cn(C)cn1)c1ccc(Cl)cc1	ZINC000852156508	CE	On-Demand	Anodyne	CPB2	36	44
CCC(CC)(CNC(=O)NCC1CCN(CC2CC2)CC1)SC	ZINC000852156577	EG	On-Demand	Anodyne	CACNA1I	53	38
CN(CCNC(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(Cl)cc1	ZINC000852156642	DG	On-Demand	Mild	UTS2	41	33
CN(CCNC(=O)OC(C)(C)C)[C@H](C#N)c1ccc(Cl)cc1	ZINC000852156645	DG	On-Demand	Mild	UTS2	41	33
COC(=O)[C@@H]1CN(CCn2cnc(Br)n2)C[C@@H]1c1ccccc1	ZINC000852156661	GD	On-Demand	Anodyne	SLC6A4	18	43
COC(=O)[C@@H]1CN(CCn2cnc(Br)n2)C[C@@H]1c1ccccc1	ZINC000852156661	GD	On-Demand	Anodyne	SLC6A3	33	49
CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(Cc3cccc(N)c3)C2)nn1	ZINC000852156695	GF	On-Demand	Anodyne	HRH2	30	41
CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(Cc3cccc(N)c3)C2)nn1	ZINC000852156697	GF	On-Demand	Anodyne	HRH2	30	41
Cn1cc(CCNC(=O)NCCOC2CCC2)c2ccccc21	ZINC000852156775	DF	On-Demand	Anodyne	MTNR1A	31	43
Cn1cc(CCNC(=O)NCCOC2CCC2)c2ccccc21	ZINC000852156775	DF	On-Demand	Anodyne	MTNR1B	23	43
COc1ccc(N2CC[C@H](NC(=O)NCCOC3CCC3)C2)cc1	ZINC000852156776	EE	On-Demand	Clean	MTNR1A	21	45
COc1ccc(N2CC[C@H](NC(=O)NCCOC3CCC3)C2)cc1	ZINC000852156776	EE	On-Demand	Clean	MTNR1B	17	45
COC(=O)[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)OC(C)(C)C	ZINC000852156787	FG	On-Demand	Anodyne	UTS2	42	34
O=C(NCCOC1CCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852156788	EG	On-Demand	Anodyne	KCNH2	42	40
O=C(NCCOC1CCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852156788	EG	On-Demand	Anodyne	EPHX2	17	44
O=C(NCCOC1CCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852156795	EF	On-Demand	Anodyne	ADRB1	23	41
O=C(NCCOC1CCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852156796	EF	On-Demand	Anodyne	ADRB1	23	41
FC(F)OCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1	ZINC000852156815	EH	On-Demand	Anodyne	PRCP	42	36
FC(F)OCCN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1	ZINC000852156817	EH	On-Demand	Anodyne	PRCP	42	36
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@@H]1c1ccccc1	ZINC000852156864	CE	On-Demand	Anodyne	SLC6A2	15	47
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@@H]1c1ccccc1	ZINC000852156864	CE	On-Demand	Anodyne	SLC6A4	44	47
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@@H]1c1ccccc1	ZINC000852156864	CE	On-Demand	Anodyne	SLC6A3	93	47
C[C@@H]1CCN(Cc2cccc(N)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852156875	EG	On-Demand	Anodyne	DRD4	30	43
C[C@@H]1CCN(Cc2cccc(N)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852156875	EG	On-Demand	Anodyne	ACHE	27	42
C[C@@H]1CCN(Cc2cccc(N)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852156875	EG	On-Demand	Anodyne	HRH2	22	44
C[C@@H]1CCN(Cc2cccc(N)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852156875	EG	On-Demand	Anodyne	CACNA1I	52	36
C[C@H]1CCN(Cc2cccc(N)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852156877	EG	On-Demand	Anodyne	DRD4	30	43
C[C@H]1CCN(Cc2cccc(N)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852156877	EG	On-Demand	Anodyne	ACHE	27	42
C[C@H]1CCN(Cc2cccc(N)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852156877	EG	On-Demand	Anodyne	HRH2	22	44
C[C@H]1CCN(Cc2cccc(N)c2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852156877	EG	On-Demand	Anodyne	CACNA1I	52	36
C[C@H]1CCN(Cc2cccc(N)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852156882	EG	On-Demand	Anodyne	DRD4	30	43
C[C@H]1CCN(Cc2cccc(N)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852156882	EG	On-Demand	Anodyne	ACHE	27	42
C[C@H]1CCN(Cc2cccc(N)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852156882	EG	On-Demand	Anodyne	HRH2	22	44
C[C@H]1CCN(Cc2cccc(N)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852156882	EG	On-Demand	Anodyne	CACNA1I	52	36
C[C@@H]1CCN(Cc2cccc(N)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852156885	EG	On-Demand	Anodyne	DRD4	30	43
C[C@@H]1CCN(Cc2cccc(N)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852156885	EG	On-Demand	Anodyne	ACHE	27	42
C[C@@H]1CCN(Cc2cccc(N)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852156885	EG	On-Demand	Anodyne	HRH2	22	44
C[C@@H]1CCN(Cc2cccc(N)c2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852156885	EG	On-Demand	Anodyne	CACNA1I	52	36
O=C(NCCOC1CCC1)NCC1CCN(CC2CC2)CC1	ZINC000852156914	DD	On-Demand	Anodyne	CACNA1I	45	32
C#CCOCCN1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000852156922	CD	On-Demand	Mild	SLC6A4	21	45
C#CCOCCN1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000852156922	CD	On-Demand	Mild	SLC6A3	39	51
CCC(CC)(CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)SC	ZINC000852156932	EF	On-Demand	Anodyne	PYGL	34	48
CCC(CC)(CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)SC	ZINC000852156932	EF	On-Demand	Anodyne	PYGM	31	48
CCC(CC)(CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)SC	ZINC000852156932	EF	On-Demand	Anodyne	TPP2	48	33
CCC(CC)(CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)SC	ZINC000852156935	EF	On-Demand	Anodyne	PYGL	34	48
CCC(CC)(CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)SC	ZINC000852156935	EF	On-Demand	Anodyne	PYGM	31	48
CCC(CC)(CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)SC	ZINC000852156935	EF	On-Demand	Anodyne	TPP2	48	33
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(Br)c1	ZINC000852156938	GE	On-Demand	Anodyne	MTNR1A	18	46
COC(=O)N(C)CCNC(=O)NC[C@@H](C)Oc1cccc(Br)c1	ZINC000852156938	GE	On-Demand	Anodyne	MTNR1B	15	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(Br)c1	ZINC000852156941	GE	On-Demand	Anodyne	MTNR1A	18	46
COC(=O)N(C)CCNC(=O)NC[C@H](C)Oc1cccc(Br)c1	ZINC000852156941	GE	On-Demand	Anodyne	MTNR1B	15	46
COC(=O)[C@@H]1CN(CC(F)(F)Br)C[C@@H]1c1ccccc1	ZINC000852156945	EF	On-Demand	Anodyne	SLC6A4	28	46
COC(=O)[C@@H]1CN(CC(F)(F)Br)C[C@@H]1c1ccccc1	ZINC000852156945	EF	On-Demand	Anodyne	SLC6A3	48	53
CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCc2ccccc2)CCCO1	ZINC000852156987	FF	On-Demand	Anodyne	SLC6A1	69	37
CC(C)(C)OC(=O)NC[C@@H]1CN(CCOCc2ccccc2)CCCO1	ZINC000852156987	FF	On-Demand	Anodyne	GHSR	15	45
CC(C)(C)OC(=O)NC[C@H]1CN(CCOCc2ccccc2)CCCO1	ZINC000852156990	FF	On-Demand	Anodyne	SLC6A1	69	37
CC(C)(C)OC(=O)NC[C@H]1CN(CCOCc2ccccc2)CCCO1	ZINC000852156990	FF	On-Demand	Anodyne	GHSR	15	45
COC(=O)[C@@H]1CN(Cc2cnon2)C[C@@H]1c1ccccc1	ZINC000852157008	CD	On-Demand	Anodyne	SLC6A3	27	47
CCC(CC)(CNC(=O)NCc1ccc(C(=O)OC)cc1F)SC	ZINC000852157029	FG	On-Demand	Anodyne	BDKRB1	26	41
Cc1nc(CN2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c(C)o1	ZINC000852157074	GF	On-Demand	Anodyne	PDE8B	54	31
Cc1nc(CN2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)c(C)o1	ZINC000852157075	GF	On-Demand	Anodyne	PDE8B	54	31
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852157076	GD	On-Demand	Anodyne	CYP2J2	46	34
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852157077	GD	On-Demand	Anodyne	CYP2J2	46	34
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852157078	GD	On-Demand	Anodyne	CYP2J2	46	34
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1CNC(=O)OC(C)(C)C	ZINC000852157079	GD	On-Demand	Anodyne	CYP2J2	46	34
CNS(=O)(=O)c1ccc(CN2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1	ZINC000852157102	FE	On-Demand	Anodyne	MMP13	25	41
CNS(=O)(=O)c1ccc(CN2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1	ZINC000852157102	FE	On-Demand	Anodyne	ADAM17	16	41
CNS(=O)(=O)c1ccc(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1	ZINC000852157103	FE	On-Demand	Anodyne	MMP13	25	41
CNS(=O)(=O)c1ccc(CN2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1	ZINC000852157103	FE	On-Demand	Anodyne	ADAM17	16	41
CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(Cc3cnon3)C2)nn1	ZINC000852157108	FD	On-Demand	Anodyne	PANC	48	32
CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(Cc3cnon3)C2)nn1	ZINC000852157109	FD	On-Demand	Anodyne	PANC	48	32
CCO[C@@H]1C[C@@H](NC(=O)NCCOC2CCC2)C1	ZINC000852157128	CD	On-Demand	Anodyne	EPHX2	20	43
CN(CCNC(=O)OC(C)(C)C)Cc1cccc(N)c1	ZINC000852157177	CE	On-Demand	Anodyne	ACHE	15	40
O=C(NCCOC1CCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852157196	FF	On-Demand	Anodyne	SSTR3	32	46
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cccc(N)c2)CCCO1	ZINC000852157246	EE	On-Demand	Anodyne	DRD4	33	41
CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cccc(N)c2)CCCO1	ZINC000852157246	EE	On-Demand	Anodyne	HRH2	30	45
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(N)c2)CCCO1	ZINC000852157248	EE	On-Demand	Anodyne	DRD4	33	41
CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cccc(N)c2)CCCO1	ZINC000852157248	EE	On-Demand	Anodyne	HRH2	30	45
NC(=O)[C@](O)(CN1CCCC[C@@H]1C1(O)CC1)c1ccccc1	ZINC000852157301	DC	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@@](O)(CN1CCCC[C@@H]1C1(O)CC1)c1ccccc1	ZINC000852157302	DC	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@@](O)(CN1CCCC[C@H]1C1(O)CC1)c1ccccc1	ZINC000852157303	DC	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CCCC[C@H]1C1(O)CC1)c1ccccc1	ZINC000852157304	DC	On-Demand	Anodyne	AMY2	43	29
O=C(NCCOC1CCC1)NCCc1ccnc2ccccc12	ZINC000852157364	DF	On-Demand	Anodyne	MTNR1A	26	42
O=C(NCCOC1CCC1)NCCc1ccnc2ccccc12	ZINC000852157364	DF	On-Demand	Anodyne	MTNR1B	16	42
COc1cccc(SCCN2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1	ZINC000852157391	GG	On-Demand	Anodyne	DRD4	46	35
COc1cccc(SCCN2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1	ZINC000852157393	GG	On-Demand	Anodyne	DRD4	46	35
CN(CCNC(=O)OC(C)(C)C)Cc1cccc(F)c1OC(F)F	ZINC000852157435	EG	On-Demand	Anodyne	PAPA1_CARPA	27	41
O=C(NCCOC1CCC1)N1CCC(c2ccon2)CC1	ZINC000852157438	CE	On-Demand	Anodyne	SMO	31	41
O=C(NCCOC1CCC1)NCc1cccnc1N1CCCC1	ZINC000852157446	DE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCCOC1CCC1)NCc1cccnc1N1CCCC1	ZINC000852157446	DE	On-Demand	Anodyne	SCN10A	19	43
CCC(CC)(CNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852157466	FF	On-Demand	Anodyne	CACNA1G	34	41
CCC(CC)(CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852157467	FF	On-Demand	Anodyne	CACNA1G	34	41
CC(C)(C)OC(=O)CCCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852157511	EF	On-Demand	Anodyne	EPHX2	24	55
CC(C)(C)OC(=O)CCCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852157512	EF	On-Demand	Anodyne	EPHX2	24	55
CCC(CC)(CNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852157822	FG	On-Demand	Anodyne	CACNA1G	35	41
C[C@@H]1CCCC[C@]1(C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852157843	CD	On-Demand	Anodyne	AMY2	46	31
C[C@@H]1CCCC[C@@]1(C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852157844	CD	On-Demand	Anodyne	AMY2	46	31
C[C@@H]1CCCC[C@]1(C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852157845	CD	On-Demand	Anodyne	AMY2	46	31
C[C@@H]1CCCC[C@@]1(C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852157846	CD	On-Demand	Anodyne	AMY2	46	31
CCC(CC)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852157857	FG	On-Demand	Anodyne	EPHX2	45	41
CCC(CC)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852157857	FG	On-Demand	Anodyne	CACNA1G	38	44
CCOC(=O)C1=C(CN[C@@](C)(CO)C(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000852157968	GC	On-Demand	Anodyne	CACNA1C	42	34
CCOC(=O)C1=C(CN[C@@](C)(CO)C(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000852157968	GC	On-Demand	Anodyne	CACNA1D	42	33
CCOC(=O)C1=C(CN[C@@](C)(CO)C(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000852157968	GC	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)C1=C(CN[C@@](C)(CO)C(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000852157968	GC	On-Demand	Anodyne	SLC27A4	76	35
CCOC(=O)C1=C(CN[C@](C)(CO)C(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000852157969	GC	On-Demand	Anodyne	CACNA1C	42	34
CCOC(=O)C1=C(CN[C@](C)(CO)C(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000852157969	GC	On-Demand	Anodyne	CACNA1D	42	33
CCOC(=O)C1=C(CN[C@](C)(CO)C(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000852157969	GC	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)C1=C(CN[C@](C)(CO)C(=O)OC)NC(=O)N[C@@H]1c1ccccc1	ZINC000852157969	GC	On-Demand	Anodyne	SLC27A4	76	35
CCOC(=O)C1=C(CN[C@](C)(CO)C(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000852157970	GC	On-Demand	Anodyne	CACNA1C	42	34
CCOC(=O)C1=C(CN[C@](C)(CO)C(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000852157970	GC	On-Demand	Anodyne	CACNA1D	42	33
CCOC(=O)C1=C(CN[C@](C)(CO)C(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000852157970	GC	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)C1=C(CN[C@](C)(CO)C(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000852157970	GC	On-Demand	Anodyne	SLC27A4	76	35
CCOC(=O)C1=C(CN[C@@](C)(CO)C(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000852157972	GC	On-Demand	Anodyne	CACNA1C	42	34
CCOC(=O)C1=C(CN[C@@](C)(CO)C(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000852157972	GC	On-Demand	Anodyne	CACNA1D	42	33
CCOC(=O)C1=C(CN[C@@](C)(CO)C(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000852157972	GC	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)C1=C(CN[C@@](C)(CO)C(=O)OC)NC(=O)N[C@H]1c1ccccc1	ZINC000852157972	GC	On-Demand	Anodyne	SLC27A4	76	35
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000852157996	GD	On-Demand	Reactive	CACNA1G	34	40
CCC(CC)(CNC(=O)NCc1cccnc1N1CCCC1)SC	ZINC000852158009	FG	On-Demand	Anodyne	TRPV1	15	41
CCC(CC)(CNC(=O)NCc1cccnc1N1CCCC1)SC	ZINC000852158009	FG	On-Demand	Anodyne	SCN2A	18	44
CCC(CC)(CNC(=O)NCc1cccnc1N1CCCC1)SC	ZINC000852158009	FG	On-Demand	Anodyne	SCN10A	19	44
O=[N+]([O-])c1ccc(Cl)cc1CN(C1CC1)C1(CO)CCC1	ZINC000852158073	DG	On-Demand	Bother	NOS3	15	51
CCOc1ccc(OCCON=Cc2ccc(F)cc2)cc1	ZINC000852158112	DH	On-Demand	Mild	FAAH	18	48
O=C(NCCC(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852158143	CD	On-Demand	Anodyne	ETHR	40	31
O=C(NCCC(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852158145	CD	On-Demand	Anodyne	ETHR	40	31
COc1ccc2c(CN(C3CC3)C3(CO)CCC3)cc(=O)oc2c1	ZINC000852158146	EF	On-Demand	Anodyne	MAOB	27	40
CCOC(=O)C1=C(CN(C2CC2)C2(CO)CCC2)NC(=O)N[C@H]1c1ccccc1	ZINC000852158211	GE	On-Demand	Anodyne	SLC27A4	79	36
CCOC(=O)C1=C(CN(C2CC2)C2(CO)CCC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852158212	GE	On-Demand	Anodyne	SLC27A4	79	36
CCC(CC)(CNC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccccc1	ZINC000852158245	FG	On-Demand	Anodyne	CACNA1G	34	40
CCC(CC)(CNC(=O)N1CCc2cc(OC)ccc2C1)SC	ZINC000852158249	EH	On-Demand	Anodyne	DRD4	40	31
CCC(CC)(CNC(=O)N1CCc2cc(OC)ccc2C1)SC	ZINC000852158249	EH	On-Demand	Anodyne	DRD5	20	45
CCC(CC)(CNC(=O)N1CCc2cc(OC)ccc2C1)SC	ZINC000852158249	EH	On-Demand	Anodyne	MTNR1A	35	43
CCC(CC)(CNC(=O)N1CCc2cc(OC)ccc2C1)SC	ZINC000852158249	EH	On-Demand	Anodyne	MTNR1B	39	43
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1)c1ccccc1	ZINC000852158273	GD	On-Demand	Reactive	CACNA1G	35	41
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1)c1ccccc1	ZINC000852158274	GD	On-Demand	Reactive	CACNA1G	35	41
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1)c1ccccc1	ZINC000852158275	GD	On-Demand	Reactive	CACNA1G	35	41
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1)c1ccccc1	ZINC000852158276	GD	On-Demand	Reactive	CACNA1G	35	41
C[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852158301	FG	On-Demand	Anodyne	TAAR1	24	42
COC(=O)[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccc(C)c(C)c1	ZINC000852158337	FF	On-Demand	Anodyne	ENPP1	47	35
O=C(CN(C1CC1)C1(CO)CCC1)Nc1cccnc1Cl	ZINC000852158360	DE	On-Demand	Anodyne	G2YM83_BOTF4	69	35
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852158370	GE	On-Demand	Anodyne	UTS2	43	35
COC(=O)N(C)CCNC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852158372	GE	On-Demand	Anodyne	UTS2	43	35
COC(=O)[C@H](NCc1cccc(F)n1)c1ccc(OC)cc1OC	ZINC000852158377	EE	On-Demand	Anodyne	DRTS_TOXGO	16	40
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA2	67	46
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA6	18	40
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA1	63	41
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA7	34	45
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA13	15	40
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA4	52	45
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA12	44	45
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA9	52	45
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CAH_METTE	18	40
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CYNT	21	41
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	NCE103	20	46
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	CA15	15	40
NS(=O)(=O)c1ccc(CCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158407	DD	On-Demand	Anodyne	A6YCJ1_9METZ	21	40
O=C(CN(C1CC1)C1(CO)CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852158424	GD	On-Demand	Bother	SSTR1	61	50
O=C(CN(C1CC1)C1(CO)CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852158424	GD	On-Demand	Bother	SLC27A4	49	32
CCC(CC)(CNC(=O)NCC1CCN(Cc2ccncc2)CC1)SC	ZINC000852158448	GH	On-Demand	Anodyne	ACHE	37	47
CCC(CC)(CNC(=O)NCC1CCN(Cc2ccncc2)CC1)SC	ZINC000852158448	GH	On-Demand	Anodyne	HTR4	42	40
CCC(CC)(CNC(=O)NCC1CCN(Cc2ccncc2)CC1)SC	ZINC000852158448	GH	On-Demand	Anodyne	SIGMAR1	26	43
CCC(CC)(CNC(=O)NCC1CCN(Cc2ccncc2)CC1)SC	ZINC000852158448	GH	On-Demand	Anodyne	SSTR5	44	35
CCC(CC)(CNC(=O)NCC1CCN(Cc2ccncc2)CC1)SC	ZINC000852158448	GH	On-Demand	Anodyne	CCR3	19	40
CCC(CC)(CNC(=O)NCC1CCN(Cc2ccncc2)CC1)SC	ZINC000852158448	GH	On-Demand	Anodyne	CACNA1I	69	42
O=c1cc(CN(C2CC2)C2(CO)CCC2)c2ccc(O)cc2o1	ZINC000852158553	DE	On-Demand	Anodyne	HSD17B3	35	50
O=C(CN(C1CC1)C1(CO)CCC1)OCc1ccccc1	ZINC000852158559	CE	On-Demand	Anodyne	AMY2	44	30
O=C(CN(C1CC1)C1(CO)CCC1)OCc1ccccc1	ZINC000852158559	CE	On-Demand	Anodyne	SLC12A5	76	41
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1nc(-c2cccc(F)c2)no1	ZINC000852158565	GE	On-Demand	Anodyne	GRM5	18	44
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1nc(-c2cccc(F)c2)no1	ZINC000852158565	GE	On-Demand	Anodyne	ETHR	17	41
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1nc(-c2cccc(F)c2)no1	ZINC000852158567	GE	On-Demand	Anodyne	GRM5	18	44
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1nc(-c2cccc(F)c2)no1	ZINC000852158567	GE	On-Demand	Anodyne	ETHR	17	41
Cc1nnc(CN(C)C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)s1	ZINC000852158569	GG	On-Demand	Anodyne	UTS2	41	31
Cc1nnc(CN(C)C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)s1	ZINC000852158572	GG	On-Demand	Anodyne	UTS2	41	31
O=C(NCCc1nc(C(F)(F)F)cs1)NNc1ccc(Cl)cn1	ZINC000852158596	FG	On-Demand	Reactive	F10	46	30
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852158619	GI	On-Demand	Anodyne	BMP1	64	44
C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852158619	GI	On-Demand	Anodyne	SPHK1	23	40
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852158621	GI	On-Demand	Anodyne	BMP1	64	44
C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852158621	GI	On-Demand	Anodyne	SPHK1	23	40
O=C(CCN(C1CC1)C1(CO)CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852158784	FE	On-Demand	Anodyne	MTOR	55	35
O=C(CCN(C1CC1)C1(CO)CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852158784	FE	On-Demand	Anodyne	STAT6	53	34
O=C(NCCC(F)(F)F)NC[C@H](O)c1cccc2ccccc12	ZINC000852158811	EG	On-Demand	Anodyne	KCNJ11	64	32
O=C(NCCC(F)(F)F)NC[C@@H](O)c1cccc2ccccc12	ZINC000852158812	EG	On-Demand	Anodyne	KCNJ11	64	32
NC(=O)[C@](O)(CN(C1CC1)C1(CO)CCC1)c1ccccc1	ZINC000852158876	DC	On-Demand	Anodyne	AMY2	47	32
NC(=O)[C@@](O)(CN(C1CC1)C1(CO)CCC1)c1ccccc1	ZINC000852158879	DC	On-Demand	Anodyne	AMY2	47	32
N#Cc1ccc(OCCCN(C2CC2)C2(CO)CCC2)cc1	ZINC000852158890	DF	On-Demand	Mild	MEN1	40	39
COCCN(CCF)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852158893	FG	On-Demand	Anodyne	UTS2	42	34
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)C2)N1	ZINC000852158978	GD	On-Demand	Anodyne	SMO	29	42
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)C2)N1	ZINC000852158980	GD	On-Demand	Anodyne	SMO	29	42
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)C2)N1	ZINC000852158982	GD	On-Demand	Anodyne	SMO	29	42
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)C2)N1	ZINC000852158984	GD	On-Demand	Anodyne	SMO	29	42
COC(=O)[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1ccc(C)c(C)c1	ZINC000852159067	FD	On-Demand	Anodyne	KIF11	18	41
COC(=O)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1ccc(C)c(C)c1	ZINC000852159068	FD	On-Demand	Anodyne	KIF11	18	41
C[C@@H](NC(=O)N(C)C[C@H]1CC1(C)C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159072	FI	On-Demand	Anodyne	UTS2	41	31
C[C@@H](NC(=O)N(C)C[C@@H]1CC1(C)C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159074	FI	On-Demand	Anodyne	UTS2	41	31
C[C@@H](NC(=O)N1CCC[C@H](CC#N)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159103	FH	On-Demand	Mild	BMP1	37	41
C[C@@H](NC(=O)N1CCC[C@@H](CC#N)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159120	FH	On-Demand	Mild	BMP1	37	41
COC(=O)[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1cc(C)cc(C)c1	ZINC000852159124	FF	On-Demand	Anodyne	ENPP1	40	32
COc1ccc(N2CC[C@H](NC(=O)NCCC(F)(F)F)C2)cc1	ZINC000852159131	EF	On-Demand	Clean	MTNR1A	19	47
COc1ccc(N2CC[C@H](NC(=O)NCCC(F)(F)F)C2)cc1	ZINC000852159131	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)NCCC(F)(F)F)C2)cc1	ZINC000852159131	EF	On-Demand	Clean	MCHR1	16	47
O=C(CN(C1CC1)C1(CO)CCC1)NOCc1ccccc1	ZINC000852159142	DD	On-Demand	Anodyne	SLC12A5	49	36
O=C(CN(C1CC1)C1(CO)CCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000852159151	FC	On-Demand	Reactive	SLC27A4	43	32
CCCCC[C@@H](C)NC(=O)CN(C1CC1)C1(CO)CCC1	ZINC000852159164	CE	On-Demand	Anodyne	NOD1	54	33
COC(=O)[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1ccc(OC)cc1OC	ZINC000852159183	GE	On-Demand	Anodyne	ENPP1	69	35
CC[C@@H](NC(=O)CON=Cc1ccc(C)cc1)c1ccc(Cl)cc1	ZINC000852159190	EI	On-Demand	Mild	UTS2	48	39
CC[C@H](NC(=O)CON=Cc1ccc(C)cc1)c1ccc(Cl)cc1	ZINC000852159191	EI	On-Demand	Mild	UTS2	48	39
Cc1cccc(C(=O)NNC(=O)CN(C2CC2)C2(CO)CCC2)c1	ZINC000852159196	ED	On-Demand	Reactive	KCNK3	52	37
Cc1cccc(C(=O)NNC(=O)CN(C2CC2)C2(CO)CCC2)c1	ZINC000852159196	ED	On-Demand	Reactive	KCNK9	42	37
CCSCC[C@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852159226	EH	On-Demand	Anodyne	CAPN2	15	46
CCSCC[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852159227	EH	On-Demand	Anodyne	CAPN2	15	46
CCSCC[C@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852159228	EH	On-Demand	Anodyne	CAPN2	15	46
CCSCC[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852159229	EH	On-Demand	Anodyne	CAPN2	15	46
CCSCC[C@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852159231	FH	On-Demand	Anodyne	ADRB2	23	40
CCSCC[C@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852159232	FH	On-Demand	Anodyne	ADRB2	23	40
CCSCC[C@@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852159233	FH	On-Demand	Anodyne	ADRB2	23	40
CCSCC[C@@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852159234	FH	On-Demand	Anodyne	ADRB2	23	40
C[C@H](NC(=O)c1ccccc1NC(=O)CON=Cc1ccc(F)cc1)c1ccccc1	ZINC000852159235	HI	On-Demand	Mild	MTTP	54	36
C[C@@H](NC(=O)c1ccccc1NC(=O)CON=Cc1ccc(F)cc1)c1ccccc1	ZINC000852159236	HI	On-Demand	Mild	MTTP	54	36
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159245	GG	On-Demand	Anodyne	MAPK1	55	41
C[C@@H](NC(=O)N(C)CC1CN(C)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159263	FF	On-Demand	Anodyne	UTS2	42	32
CCOC(=O)C1=C(CN(C2CC2)C2(CO)CCC2)NC(=O)N[C@H]1c1ccco1	ZINC000852159340	GD	On-Demand	Anodyne	SLC27A4	57	30
CCOC(=O)C1=C(CN(C2CC2)C2(CO)CCC2)NC(=O)N[C@@H]1c1ccco1	ZINC000852159341	GD	On-Demand	Anodyne	SLC27A4	57	30
O=C(CN(C1CC1)C1(CO)CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852159353	FD	On-Demand	Anodyne	MTOR	58	36
O=C(CN(C1CC1)C1(CO)CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852159353	FD	On-Demand	Anodyne	STAT6	51	33
C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159378	FG	On-Demand	Mild	CCR1	49	35
C[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159380	FG	On-Demand	Mild	CCR1	49	35
COc1ccc(N2CCN(C(=O)CN(C3CC3)C3(CO)CCC3)CC2)cc1	ZINC000852159387	FD	On-Demand	Clean	NPBWR1	53	30
O=C(Cc1ccccc1)OCCN(C1CC1)C1(CO)CCC1	ZINC000852159396	DE	On-Demand	Anodyne	AMY2	46	33
O=C(CN(C1CC1)C1(CO)CCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852159410	FC	On-Demand	Reactive	CACNA1D	44	32
C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000852159420	FI	On-Demand	Mild	BMP1	36	41
C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000852159421	FI	On-Demand	Mild	BMP1	36	41
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000852159422	FI	On-Demand	Mild	BMP1	36	41
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000852159423	FI	On-Demand	Mild	BMP1	36	41
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159484	GH	On-Demand	Anodyne	CACNA1I	44	32
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159485	GH	On-Demand	Anodyne	CACNA1I	44	32
C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159486	GH	On-Demand	Anodyne	CACNA1I	44	32
C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1	ZINC000852159487	GH	On-Demand	Anodyne	CACNA1I	44	32
CCSCC[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852159488	GI	On-Demand	Anodyne	FPR1	48	36
CCSCC[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852159488	GI	On-Demand	Anodyne	PDS	50	33
CCSCC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852159489	GI	On-Demand	Anodyne	FPR1	48	36
CCSCC[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852159489	GI	On-Demand	Anodyne	PDS	50	33
C[C@@H](CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)Oc1ccc(Cl)cc1	ZINC000852159553	FE	On-Demand	Anodyne	EBP	17	43
C[C@@H](CNC(=O)N1CC[C@H](N2CCOC2=O)C1)Oc1ccc(Cl)cc1	ZINC000852159554	FE	On-Demand	Anodyne	EBP	17	43
O=[N+]([O-])c1cccc(CN(C2CC2)C2(CO)CCC2)c1Br	ZINC000852159561	FG	On-Demand	Bother	COLA	61	32
CC(C)(C)OC(=O)CCCCCNC(=O)NCC1SCCS1	ZINC000852159703	EF	On-Demand	Anodyne	EPHX2	29	63
O=C(NCCCCC1CCCC1)NCc1ncccn1	ZINC000852159710	CF	On-Demand	Anodyne	BMP1	51	37
CCO[C@H]1C[C@H](NC(=O)NC[C@@H](O)c2ccccc2OC)C12CCCC2	ZINC000852159729	FF	On-Demand	Anodyne	TIMP3	52	34
CCO[C@H]1C[C@H](NC(=O)NC[C@@H](O)c2ccccc2OC)C12CCCC2	ZINC000852159729	FF	On-Demand	Anodyne	HCN1	53	32
CCO[C@H]1C[C@H](NC(=O)NC[C@@H](O)c2ccccc2OC)C12CCCC2	ZINC000852159729	FF	On-Demand	Anodyne	HCN4	50	32
CCO[C@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)C12CCCC2	ZINC000852159730	FF	On-Demand	Anodyne	TIMP3	52	34
CCO[C@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)C12CCCC2	ZINC000852159730	FF	On-Demand	Anodyne	HCN1	53	32
CCO[C@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)C12CCCC2	ZINC000852159730	FF	On-Demand	Anodyne	HCN4	50	32
O=C(NCCCCC1CCCC1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852159737	FH	On-Demand	Anodyne	CCR3	15	42
CC(C)(C)OC(=O)CCCCCNC(=O)NCc1ncccn1	ZINC000852159766	DE	On-Demand	Anodyne	EPHX2	16	52
C[C@H](CNC(=O)N1CCC(N2CCOC2=O)CC1)Oc1ccc(Cl)cc1	ZINC000852159772	GF	On-Demand	Anodyne	EBP	17	44
C[C@@H](CNC(=O)N1CCC(N2CCOC2=O)CC1)Oc1ccc(Cl)cc1	ZINC000852159773	GF	On-Demand	Anodyne	EBP	17	44
O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852159974	GD	On-Demand	Anodyne	SMO	34	48
O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852159975	GD	On-Demand	Anodyne	SMO	34	48
O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852159976	GD	On-Demand	Anodyne	SMO	34	48
O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852159977	GD	On-Demand	Anodyne	SMO	34	48
CC(C)(C)OC(=O)CCCCCNC(=O)N[C@@H]1C=CCC1	ZINC000852160056	CF	On-Demand	Anodyne	EPHX2	20	53
CC(C)(C)OC(=O)CCCCCNC(=O)N[C@H]1C=CCC1	ZINC000852160057	CF	On-Demand	Anodyne	EPHX2	20	53
O=C(CCN(C1CC1)C1(CO)CCC1)OCc1ccccc1	ZINC000852160058	DE	On-Demand	Anodyne	AMY2	46	32
O=C(CCN(C1CC1)C1(CO)CCC1)OCc1ccccc1	ZINC000852160058	DE	On-Demand	Anodyne	SLC12A5	68	38
CCCOc1ccc(CN[C@@](C)(CO)C(=O)OC)cc1	ZINC000852160092	CD	On-Demand	Anodyne	PLA2G4B	60	35
CCCOc1ccc(CN[C@](C)(CO)C(=O)OC)cc1	ZINC000852160093	CD	On-Demand	Anodyne	PLA2G4B	60	35
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C[C@@H](O)c1ccccn1)C2	ZINC000852160167	CD	On-Demand	Anodyne	SLC6A4	18	40
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C[C@@H](O)c1ccccn1)C2	ZINC000852160167	CD	On-Demand	Anodyne	SLC6A3	40	40
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C[C@H](O)c1ccccn1)C2	ZINC000852160169	CD	On-Demand	Anodyne	SLC6A4	18	40
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C[C@H](O)c1ccccn1)C2	ZINC000852160169	CD	On-Demand	Anodyne	SLC6A3	40	40
CN(CCOC(F)F)[C@H]1CCC[C@H]1c1ccccc1	ZINC000852160203	CG	On-Demand	Anodyne	AMY2	44	32
CN(CCOC(F)F)[C@H]1CCC[C@@H]1c1ccccc1	ZINC000852160204	CG	On-Demand	Anodyne	AMY2	44	32
CN(CCOC(F)F)[C@@H]1CCC[C@H]1c1ccccc1	ZINC000852160205	CG	On-Demand	Anodyne	AMY2	44	32
CN(CCOC(F)F)[C@@H]1CCC[C@@H]1c1ccccc1	ZINC000852160206	CG	On-Demand	Anodyne	AMY2	44	32
Cn1cnc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1	ZINC000852160219	FI	On-Demand	Anodyne	MCHR1	36	44
Cn1cnc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1	ZINC000852160219	FI	On-Demand	Anodyne	MGEA5	27	42
COc1ccc(N2CC[C@H](NC(=O)NCCCC(F)(F)F)C2)cc1	ZINC000852160251	EF	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NCCCC(F)(F)F)C2)cc1	ZINC000852160251	EF	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)NCCCC(F)(F)F)C2)cc1	ZINC000852160251	EF	On-Demand	Clean	MCHR1	15	51
CCN1CC[C@H](N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)C1=O	ZINC000852160318	GH	On-Demand	Anodyne	MCHR1	27	43
CCN1CC[C@@H](N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)C1=O	ZINC000852160319	GH	On-Demand	Anodyne	MCHR1	27	43
C[C@@H](CCCc1cccnc1)NC[C@@H]1COC(C)(C)O1	ZINC000852160327	CF	On-Demand	Anodyne	PTAFR	24	40
C[C@@H](CCCc1cccnc1)NC[C@H]1COC(C)(C)O1	ZINC000852160330	CF	On-Demand	Anodyne	PTAFR	24	40
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	ZINC000852160343	ED	On-Demand	Anodyne	AMP1_PLAFQ	64	44
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1	ZINC000852160344	ED	On-Demand	Anodyne	AMP1_PLAFQ	64	44
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)O1	ZINC000852160398	GC	On-Demand	Reactive	AMP1_PLAFQ	59	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)O1	ZINC000852160400	GC	On-Demand	Reactive	AMP1_PLAFQ	59	41
Cn1cccc1CNC(=O)NCCCC1CCC1	ZINC000852160433	BE	On-Demand	Anodyne	CCR3	33	40
COCCCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	ZINC000852160440	II	On-Demand	Anodyne	BCHE	61	36
COCCCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	ZINC000852160443	II	On-Demand	Anodyne	BCHE	61	36
Cn1cccc1CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852160500	ED	On-Demand	Anodyne	CACNA1I	48	35
C[C@@H](CCCc1cccnc1)NCc1cnon1	ZINC000852160532	BD	On-Demand	Anodyne	PTAFR	30	44
COc1ccc(N2CC[C@H](NC(=O)NCc3cccn3C)C2)cc1	ZINC000852160559	EE	On-Demand	Clean	MTNR1A	18	47
COc1ccc(N2CC[C@H](NC(=O)NCc3cccn3C)C2)cc1	ZINC000852160559	EE	On-Demand	Clean	MTNR1B	18	47
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCc1cccn1C)CCC2	ZINC000852160561	FF	On-Demand	Anodyne	HTR6	21	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCc1cccn1C)CCC2	ZINC000852160562	FF	On-Demand	Anodyne	HTR6	21	41
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(-n2cccn2)cc1	ZINC000852160568	GF	On-Demand	Anodyne	AMP1_PLAFQ	64	45
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(-n2cccn2)cc1	ZINC000852160570	GF	On-Demand	Anodyne	AMP1_PLAFQ	64	45
O=C(CN1CCC([C@H](O)c2cc(F)ccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852160635	GG	On-Demand	Anodyne	NPY5R	16	40
O=C(CN1CCC([C@@H](O)c2cc(F)ccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852160637	GG	On-Demand	Anodyne	NPY5R	16	40
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1COC2)c1ccccc1	ZINC000852160679	CC	On-Demand	Anodyne	CHRM3	34	44
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1COC2)c1ccccc1	ZINC000852160679	CC	On-Demand	Anodyne	AMY2	53	31
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1COC2)c1ccccc1	ZINC000852160679	CC	On-Demand	Anodyne	CYP2J2	45	32
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1COC2)c1ccccc1	ZINC000852160681	CC	On-Demand	Anodyne	CHRM3	34	44
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1COC2)c1ccccc1	ZINC000852160681	CC	On-Demand	Anodyne	AMY2	53	31
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1COC2)c1ccccc1	ZINC000852160681	CC	On-Demand	Anodyne	CYP2J2	45	32
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(-n2cccn2)cc1	ZINC000852160685	FF	On-Demand	Anodyne	ADAM17	15	44
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(-n2cccn2)cc1	ZINC000852160685	FF	On-Demand	Anodyne	AMP1_PLAFQ	63	44
CCCCCC[C@](O)(CN1C[C@@H](O)[C@H](CO)C1)C(=O)OC	ZINC000852160695	DC	On-Demand	Anodyne	GBA2	45	42
CCCCCC[C@](O)(CN1C[C@@H](O)[C@H](CO)C1)C(=O)OC	ZINC000852160695	DC	On-Demand	Anodyne	SI	15	42
CCCCCC[C@](O)(CN1C[C@H](O)[C@@H](CO)C1)C(=O)OC	ZINC000852160697	DC	On-Demand	Anodyne	GBA2	45	42
CCCCCC[C@](O)(CN1C[C@H](O)[C@@H](CO)C1)C(=O)OC	ZINC000852160697	DC	On-Demand	Anodyne	SI	15	42
CCCCCC[C@](O)(CN1C[C@@H](O)[C@@H](CO)C1)C(=O)OC	ZINC000852160699	DC	On-Demand	Anodyne	GBA2	45	42
CCCCCC[C@](O)(CN1C[C@@H](O)[C@@H](CO)C1)C(=O)OC	ZINC000852160699	DC	On-Demand	Anodyne	SI	15	42
CCCCCC[C@](O)(CN1C[C@@H](CO)[C@@H](O)C1)C(=O)OC	ZINC000852160701	DC	On-Demand	Anodyne	GBA2	45	42
CCCCCC[C@](O)(CN1C[C@@H](CO)[C@@H](O)C1)C(=O)OC	ZINC000852160701	DC	On-Demand	Anodyne	SI	15	42
C[C@@H](CCCc1cccnc1)NC[C@@H](O)c1ccccn1	ZINC000852160711	CF	On-Demand	Anodyne	PTAFR	32	46
C[C@@H](CCCc1cccnc1)NC[C@H](O)c1ccccn1	ZINC000852160712	CF	On-Demand	Anodyne	PTAFR	32	46
O[C@@H](c1cc(F)ccc1F)C1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1	ZINC000852160719	EI	On-Demand	Anodyne	SLC18A3	55	40
C[C@@H](CCCc1cccnc1)NCC1=NS(=O)(=O)c2ccccc21	ZINC000852160721	EF	On-Demand	Anodyne	PTAFR	29	46
CO[C@@H]1CC[C@@H](N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)C1	ZINC000852160733	FJ	On-Demand	Anodyne	MCHR1	25	41
Cc1nc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c(C)o1	ZINC000852160742	GK	On-Demand	Anodyne	NPY1R	34	40
Cc1nc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c(C)o1	ZINC000852160742	GK	On-Demand	Anodyne	MCHR1	34	45
Cc1nc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c(C)o1	ZINC000852160742	GK	On-Demand	Anodyne	PDE8B	57	35
Cc1nc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c(C)o1	ZINC000852160742	GK	On-Demand	Anodyne	MGEA5	28	43
CSC(C)(C)CNC(=O)N1CCC(c2ccon2)CC1	ZINC000852160768	CF	On-Demand	Anodyne	SMO	31	42
O=C(CN(CCO)CCOCCO)Nc1ccc(Cl)nc1	ZINC000852160769	DB	On-Demand	Anodyne	CA4	18	46
CSC(C)(C)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852160770	FG	On-Demand	Anodyne	AMY2	43	29
CSC(C)(C)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852160770	FG	On-Demand	Anodyne	SSTR3	32	46
CSC(C)(C)CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852160831	DF	On-Demand	Anodyne	CACNA1I	61	39
C[C@@H](NC(=O)NCCC1SCCS1)c1ccc(-n2cccn2)cc1	ZINC000852160846	FG	On-Demand	Anodyne	ADAM17	16	46
C[C@@H](NC(=O)NCCC1SCCS1)c1ccc(-n2cccn2)cc1	ZINC000852160846	FG	On-Demand	Anodyne	AMP1_PLAFQ	64	45
C[C@H](NC(=O)NCCC1SCCS1)c1ccc(-n2cccn2)cc1	ZINC000852160847	FG	On-Demand	Anodyne	ADAM17	16	46
C[C@H](NC(=O)NCCC1SCCS1)c1ccc(-n2cccn2)cc1	ZINC000852160847	FG	On-Demand	Anodyne	AMP1_PLAFQ	64	45
CCOCCCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	ZINC000852160881	JJ	On-Demand	Anodyne	BCHE	56	32
N#Cc1ccc(CCN2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1	ZINC000852160882	FH	On-Demand	Mild	HTR2A	18	59
N#Cc1ccc(CCN2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1	ZINC000852160882	FH	On-Demand	Mild	CCR3	20	41
N#Cc1ccc(CCN2CCC([C@H](O)c3cc(F)ccc3F)CC2)cc1	ZINC000852160882	FH	On-Demand	Mild	KCNJ1	31	51
N#Cc1ccc(CCN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1	ZINC000852160883	FH	On-Demand	Mild	HTR2A	18	59
N#Cc1ccc(CCN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1	ZINC000852160883	FH	On-Demand	Mild	CCR3	20	41
N#Cc1ccc(CCN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)cc1	ZINC000852160883	FH	On-Demand	Mild	KCNJ1	31	51
CCOCCCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	ZINC000852160884	JJ	On-Demand	Anodyne	BCHE	56	32
Cn1cccc1CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852160889	FG	On-Demand	Anodyne	ROCK2	20	40
Cc1nc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)sc1C	ZINC000852160931	GI	On-Demand	Anodyne	ROCK2	20	42
C#C[C@H](NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1)C1CCOCC1	ZINC000852160937	FF	On-Demand	Mild	ADAM17	15	44
C#C[C@H](NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1)C1CCOCC1	ZINC000852160937	FF	On-Demand	Mild	AMP1_PLAFQ	61	44
C#C[C@@H](NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1)C1CCOCC1	ZINC000852160939	FF	On-Demand	Mild	ADAM17	15	44
C#C[C@@H](NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1)C1CCOCC1	ZINC000852160939	FF	On-Demand	Mild	AMP1_PLAFQ	61	44
C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1)C1CCOCC1	ZINC000852160941	FF	On-Demand	Mild	ADAM17	15	44
C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1)C1CCOCC1	ZINC000852160941	FF	On-Demand	Mild	AMP1_PLAFQ	61	44
C#C[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1)C1CCOCC1	ZINC000852160944	FF	On-Demand	Mild	ADAM17	15	44
C#C[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1)C1CCOCC1	ZINC000852160944	FF	On-Demand	Mild	AMP1_PLAFQ	61	44
O[C@@H](c1cc(F)ccc1F)C1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852160958	DF	On-Demand	Anodyne	SLC18A3	54	42
O[C@H](c1cc(F)ccc1F)C1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852160959	DF	On-Demand	Anodyne	SLC18A3	54	42
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1	ZINC000852161004	EF	On-Demand	Anodyne	AMP1_PLAFQ	65	44
COCCN(CCF)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1	ZINC000852161008	EF	On-Demand	Anodyne	AMP1_PLAFQ	65	44
CC(=O)c1[nH]c(CCN2CCC([C@H](O)c3cc(F)ccc3F)CC2)nc1C	ZINC000852161159	GG	On-Demand	Anodyne	HTR2A	18	44
CC(=O)c1[nH]c(CCN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)nc1C	ZINC000852161170	GG	On-Demand	Anodyne	HTR2A	18	44
COC[C@@H](CN1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1)OC	ZINC000852161180	GH	On-Demand	Anodyne	MCHR1	31	46
Cn1cccc1CNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852161184	DE	On-Demand	Anodyne	SLC6A5	17	41
Cn1cccc1CNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852161184	DE	On-Demand	Anodyne	EPHX2	19	43
Cn1cccc1CNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852161186	DE	On-Demand	Anodyne	SLC6A5	17	41
Cn1cccc1CNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852161186	DE	On-Demand	Anodyne	EPHX2	19	43
Cn1cccc1CNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852161227	DD	On-Demand	Anodyne	CCR3	92	40
Cn1cccc1CNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852161228	DD	On-Demand	Anodyne	CCR3	92	40
O[C@H](c1cc(F)ccc1F)C1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852161242	EG	On-Demand	Anodyne	SLC18A3	60	45
O[C@@H](c1cc(F)ccc1F)C1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852161245	EG	On-Demand	Anodyne	SLC18A3	60	45
C[C@@H](CCCc1cccnc1)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852161276	EG	On-Demand	Anodyne	TBXAS1	35	42
C[C@@H](CCCc1cccnc1)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852161276	EG	On-Demand	Anodyne	PTAFR	33	48
C[C@@H](CCCc1cccnc1)NCC(=O)Nc1ccc(Cl)nc1	ZINC000852161276	EG	On-Demand	Anodyne	NAMPT	34	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CC(C)(C)C1	ZINC000852161292	CD	On-Demand	Anodyne	AMY2	55	33
C[C@@H](CCCc1cccnc1)NCC(F)(F)Br	ZINC000852161314	DG	On-Demand	Anodyne	TBXAS1	28	40
C[C@@H](CCCc1cccnc1)NCC(F)(F)Br	ZINC000852161314	DG	On-Demand	Anodyne	PTAFR	35	46
CSC(C)(C)CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852161334	DG	On-Demand	Anodyne	SFRP1	54	37
CSC(C)(C)CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852161334	DG	On-Demand	Anodyne	WNT3	40	37
CSC(C)(C)CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852161337	DG	On-Demand	Anodyne	SFRP1	54	37
CSC(C)(C)CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852161337	DG	On-Demand	Anodyne	WNT3	40	37
COc1ccc([C@@H]2CCCN2C(=O)NCc2cccn2C)cc1F	ZINC000852161349	EG	On-Demand	Anodyne	ACKR3	64	34
Cn1cccc1CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852161365	DD	On-Demand	Anodyne	HTR4	55	38
Cn1cccc1CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852161365	DD	On-Demand	Anodyne	SIGMAR1	16	41
Cn1cccc1CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852161365	DD	On-Demand	Anodyne	CCR3	41	39
Cn1cccc1CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852161365	DD	On-Demand	Anodyne	CACNA1I	70	40
Cn1cccc1CNC(=O)NC1CCC(C2CCC2)CC1	ZINC000852161490	CG	On-Demand	Anodyne	EPHX2	29	42
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cccn1C	ZINC000852161501	DF	On-Demand	Anodyne	CCR3	44	32
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cccn1C	ZINC000852161503	DF	On-Demand	Anodyne	CCR3	44	32
CCOP(=O)(OCC)[C@H](O)CN1CCc2cccc(Cl)c2C1	ZINC000852161507	EG	On-Demand	Anodyne	NOD2	42	37
CCOP(=O)(OCC)[C@@H](O)CN1CCc2cccc(Cl)c2C1	ZINC000852161511	EG	On-Demand	Anodyne	NOD2	42	37
CSC(C)(C)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852161512	EH	On-Demand	Anodyne	KCNH2	42	41
CSC(C)(C)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852161512	EH	On-Demand	Anodyne	GLRA1	41	32
Cn1cccc1CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852161537	DE	On-Demand	Anodyne	SIGMAR1	28	41
Cn1cccc1CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852161539	DE	On-Demand	Anodyne	SIGMAR1	28	41
Cn1cccc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852161544	DE	On-Demand	Anodyne	SCN2A	19	48
Cn1cccc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852161544	DE	On-Demand	Anodyne	SCN10A	24	48
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C[C@](O)(C(N)=O)c1ccccc1)C2	ZINC000852161558	EC	On-Demand	Anodyne	SLC6A3	34	40
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C[C@@](O)(C(N)=O)c1ccccc1)C2	ZINC000852161561	EC	On-Demand	Anodyne	SLC6A3	34	40
Cc1nc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)sc1C	ZINC000852161585	FF	On-Demand	Clean	SLC27A1	21	41
C[C@@H](CCCc1cccnc1)NCCn1cnc(Br)n1	ZINC000852161591	EE	On-Demand	Anodyne	PTAFR	27	42
Nc1cccc(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1	ZINC000852161596	EG	On-Demand	Anodyne	SIGMAR1	27	47
Nc1cccc(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1	ZINC000852161596	EG	On-Demand	Anodyne	CCR3	27	40
Nc1cccc(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1	ZINC000852161596	EG	On-Demand	Anodyne	CACNA1G	25	40
Nc1cccc(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1	ZINC000852161598	EG	On-Demand	Anodyne	SIGMAR1	27	47
Nc1cccc(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1	ZINC000852161598	EG	On-Demand	Anodyne	CCR3	27	40
Nc1cccc(CN2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1	ZINC000852161598	EG	On-Demand	Anodyne	CACNA1G	25	40
COc1cccc([C@]2(C)CCN(C(=O)NCc3cccn3C)C2)c1	ZINC000852161675	EF	On-Demand	Anodyne	DRD4	43	33
C[C@@H](CCCc1cccnc1)NCC=C(Cl)Cl	ZINC000852161691	CH	On-Demand	Anodyne	TBXAS1	42	44
C[C@@H](CCCc1cccnc1)NCC=C(Cl)Cl	ZINC000852161691	CH	On-Demand	Anodyne	PTAFR	37	48
O[C@H](c1cc(F)ccc1F)C1CCN(CCOC(F)F)CC1	ZINC000852161707	DF	On-Demand	Anodyne	SLC6A4	17	43
O[C@H](c1cc(F)ccc1F)C1CCN(CCOC(F)F)CC1	ZINC000852161707	DF	On-Demand	Anodyne	SLC6A3	41	43
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOC(F)F)CC1	ZINC000852161708	DF	On-Demand	Anodyne	SLC6A4	17	43
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOC(F)F)CC1	ZINC000852161708	DF	On-Demand	Anodyne	SLC6A3	41	43
NC(=O)[C@@](O)(CN1CCc2cccc(Cl)c2C1)c1ccccc1	ZINC000852161735	EE	On-Demand	Anodyne	AKR1C3	19	46
NC(=O)[C@](O)(CN1CCc2cccc(Cl)c2C1)c1ccccc1	ZINC000852161736	EE	On-Demand	Anodyne	AKR1C3	19	46
O[C@H](c1cc(F)ccc1F)C1CCN(CCc2cnn[nH]2)CC1	ZINC000852161751	DE	On-Demand	Anodyne	HTR2A	19	53
O[C@@H](c1cc(F)ccc1F)C1CCN(CCc2cnn[nH]2)CC1	ZINC000852161752	DE	On-Demand	Anodyne	HTR2A	19	53
NC(=O)[C@@](O)(CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1	ZINC000852161760	GE	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1	ZINC000852161761	GE	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1	ZINC000852161762	GE	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1	ZINC000852161763	GE	On-Demand	Anodyne	CYP2J2	44	31
CSC(C)(C)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852161797	DE	On-Demand	Anodyne	PYGL	35	49
CSC(C)(C)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852161797	DE	On-Demand	Anodyne	PYGM	31	49
CSC(C)(C)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852161798	DE	On-Demand	Anodyne	PYGL	35	49
CSC(C)(C)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852161798	DE	On-Demand	Anodyne	PYGM	31	49
Cn1cccc1CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852161815	FG	On-Demand	Anodyne	P2RY14	44	36
CSC(C)(C)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852161823	DF	On-Demand	Anodyne	TRPV1	18	41
CSC(C)(C)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852161823	DF	On-Demand	Anodyne	SCN2A	18	45
CSC(C)(C)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852161823	DF	On-Demand	Anodyne	SCN10A	20	45
C[C@@H](NC(=O)NCC1SCCS1)c1ccc(-n2cccn2)cc1	ZINC000852161844	EG	On-Demand	Anodyne	ADAM17	17	47
C[C@@H](NC(=O)NCC1SCCS1)c1ccc(-n2cccn2)cc1	ZINC000852161844	EG	On-Demand	Anodyne	AMP1_PLAFQ	67	47
C[C@H](NC(=O)NCC1SCCS1)c1ccc(-n2cccn2)cc1	ZINC000852161845	EG	On-Demand	Anodyne	ADAM17	17	47
C[C@H](NC(=O)NCC1SCCS1)c1ccc(-n2cccn2)cc1	ZINC000852161845	EG	On-Demand	Anodyne	AMP1_PLAFQ	67	47
C[C@@H](CCCc1cccnc1)NCC[C@@H]1COC(C)(C)O1	ZINC000852161909	CF	On-Demand	Anodyne	TBXAS1	20	40
C[C@@H](CCCc1cccnc1)NCC[C@H]1COC(C)(C)O1	ZINC000852161910	CF	On-Demand	Anodyne	TBXAS1	20	40
CCOC[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852161922	DD	On-Demand	Anodyne	CHRM3	44	36
CCOC[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852161922	DD	On-Demand	Anodyne	AMY2	48	34
CCOC[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852161924	DD	On-Demand	Anodyne	CHRM3	44	36
CCOC[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852161924	DD	On-Demand	Anodyne	AMY2	48	34
CSC(C)(C)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852161973	EE	On-Demand	Anodyne	CACNA1I	56	36
CSC(C)(C)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852161981	FF	On-Demand	Anodyne	ACHE	42	48
CSC(C)(C)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852161981	FF	On-Demand	Anodyne	HTR4	44	41
CSC(C)(C)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852161981	FF	On-Demand	Anodyne	SIGMAR1	28	42
CSC(C)(C)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852161981	FF	On-Demand	Anodyne	CCR3	23	41
CSC(C)(C)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852161981	FF	On-Demand	Anodyne	CACNA1I	81	44
CSC(C)(C)CNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852161985	FH	On-Demand	Anodyne	CACNA1I	72	39
CSC(C)(C)CNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852161987	FH	On-Demand	Anodyne	CACNA1I	72	39
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(-n2cccn2)cc1	ZINC000852161994	GF	On-Demand	Anodyne	ADAM17	15	44
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(-n2cccn2)cc1	ZINC000852161994	GF	On-Demand	Anodyne	AMP1_PLAFQ	59	43
Cn1cccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852162047	EE	On-Demand	Anodyne	DRD4	25	41
Cn1cccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852162047	EE	On-Demand	Anodyne	ACHE	40	46
Cn1cccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852162047	EE	On-Demand	Anodyne	HTR4	48	41
Cn1cccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852162047	EE	On-Demand	Anodyne	SIGMAR1	31	40
Cn1cccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852162047	EE	On-Demand	Anodyne	SSTR5	40	33
Cn1cccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852162047	EE	On-Demand	Anodyne	CCR3	51	47
Cn1cccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852162047	EE	On-Demand	Anodyne	MCHR1	25	51
Cn1cccc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852162047	EE	On-Demand	Anodyne	CACNA1I	64	42
Cn1cccc1CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852162077	FF	On-Demand	Anodyne	SSTR3	33	47
C[C@@H](CCCc1cccnc1)NC[C@H]1CCC(=O)O1	ZINC000852162095	CE	On-Demand	Anodyne	PTAFR	30	42
C[C@@H](CCCc1cccnc1)NC[C@@H]1CCC(=O)O1	ZINC000852162096	CE	On-Demand	Anodyne	PTAFR	30	42
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	DRD2	16	47
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	HTR2A	15	53
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	SLC6A4	23	40
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	HRH1	18	44
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	SLC6A3	49	45
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	HTR7	15	42
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	SIGMAR1	33	47
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	CCR3	26	42
O[C@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162099	FH	On-Demand	Anodyne	GBA2	57	37
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	DRD2	16	47
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	HTR2A	15	53
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	SLC6A4	23	40
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	HRH1	18	44
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	SLC6A3	49	45
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	HTR7	15	42
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	SIGMAR1	33	47
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	CCR3	26	42
O[C@@H](c1cc(F)ccc1F)C1CCN(CCOCc2ccccc2)CC1	ZINC000852162100	FH	On-Demand	Anodyne	GBA2	57	37
C[C@@H](CCCc1cccnc1)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852162146	ED	On-Demand	Anodyne	TBXAS1	50	43
C[C@@H](CCCc1cccnc1)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852162146	ED	On-Demand	Anodyne	PTAFR	41	51
C[C@@H](CCCc1cccnc1)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852162146	ED	On-Demand	Anodyne	CYSP_TRYCR	18	40
C[C@@H](CCCc1cccnc1)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852162146	ED	On-Demand	Anodyne	LAP3	22	42
C[C@@H](CCCc1cccnc1)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852162147	ED	On-Demand	Anodyne	TBXAS1	50	43
C[C@@H](CCCc1cccnc1)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852162147	ED	On-Demand	Anodyne	PTAFR	41	51
C[C@@H](CCCc1cccnc1)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852162147	ED	On-Demand	Anodyne	CYSP_TRYCR	18	40
C[C@@H](CCCc1cccnc1)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852162147	ED	On-Demand	Anodyne	LAP3	22	42
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)SC)C2)cc1	ZINC000852162176	EF	On-Demand	Clean	EPHX2	20	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc4c(C)cccc4o3)C2)cc1	ZINC000852162182	GG	On-Demand	Clean	MTNR1A	24	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc4c(C)cccc4o3)C2)cc1	ZINC000852162182	GG	On-Demand	Clean	MTNR1B	19	43
Cn1cccc1CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852162209	FG	On-Demand	Anodyne	DRD4	40	33
Cn1cccc1CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852162209	FG	On-Demand	Anodyne	BCL2A1	42	34
Cn1cccc1CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852162209	FG	On-Demand	Anodyne	RPA1	80	34
CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C[C@@H](O)c2ccccn2)C1	ZINC000852162236	GH	On-Demand	Anodyne	GPR119	31	47
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C[C@H](O)c2ccccn2)C1	ZINC000852162237	GH	On-Demand	Anodyne	GPR119	31	47
CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C[C@H](O)c2ccccn2)C1	ZINC000852162238	GH	On-Demand	Anodyne	GPR119	31	47
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C[C@@H](O)c2ccccn2)C1	ZINC000852162239	GH	On-Demand	Anodyne	GPR119	31	47
Cn1cccc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852162241	EG	On-Demand	Anodyne	SLC6A3	37	48
Cn1cccc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852162241	EG	On-Demand	Anodyne	KCNH2	42	42
Cn1cccc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852162241	EG	On-Demand	Anodyne	EPHX2	15	42
Cn1cccc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852162241	EG	On-Demand	Anodyne	GLRA1	43	33
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(-n2cccn2)cc1	ZINC000852162253	FE	On-Demand	Anodyne	ADAM17	15	44
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(-n2cccn2)cc1	ZINC000852162253	FE	On-Demand	Anodyne	AMP1_PLAFQ	58	42
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(-n2cccn2)cc1	ZINC000852162254	FE	On-Demand	Anodyne	ADAM17	15	44
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(-n2cccn2)cc1	ZINC000852162254	FE	On-Demand	Anodyne	AMP1_PLAFQ	58	42
Cn1cccc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852162275	EG	On-Demand	Anodyne	SCD	21	40
Cn1cccc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852162275	EG	On-Demand	Anodyne	TRPM8	26	51
Cc1nc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)co1	ZINC000852162280	FJ	On-Demand	Anodyne	DRD4	15	43
Cc1nc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)co1	ZINC000852162280	FJ	On-Demand	Anodyne	MCHR1	35	45
Cc1nc(CN2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)co1	ZINC000852162280	FJ	On-Demand	Anodyne	MGEA5	28	43
O[C@H](c1cc(F)ccc1F)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852162304	GJ	On-Demand	Anodyne	DRD2	20	44
O[C@H](c1cc(F)ccc1F)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852162304	GJ	On-Demand	Anodyne	HTR2A	42	43
O[C@@H](c1cc(F)ccc1F)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852162305	GJ	On-Demand	Anodyne	DRD2	20	44
O[C@@H](c1cc(F)ccc1F)C1CCN(CCc2nsc3ccccc23)CC1	ZINC000852162305	GJ	On-Demand	Anodyne	HTR2A	42	43
O=C(NCCCC(F)(F)F)NC[C@H](O)c1cccc2ccccc12	ZINC000852162306	EH	On-Demand	Anodyne	KCNJ11	82	32
O=C(NCCCC(F)(F)F)NC[C@@H](O)c1cccc2ccccc12	ZINC000852162307	EH	On-Demand	Anodyne	KCNJ11	82	32
Cn1cccc1CNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852162321	DF	On-Demand	Anodyne	MTNR1A	15	45
COC(=O)c1ccc(CNC(=O)NCc2cccn2C)c(F)c1	ZINC000852162324	DD	On-Demand	Anodyne	BDKRB1	29	42
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(-n2cccn2)cc1	ZINC000852162360	GG	On-Demand	Anodyne	ADAM17	15	43
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(-n2cccn2)cc1	ZINC000852162360	GG	On-Demand	Anodyne	AMP1_PLAFQ	58	41
CSC(C)(C)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852162446	DG	On-Demand	Anodyne	MTNR1A	28	43
CSC(C)(C)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852162446	DG	On-Demand	Anodyne	MTNR1B	19	43
CSC(C)(C)CNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852162448	ED	On-Demand	Anodyne	CA2	16	40
CSC(C)(C)CNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852162448	ED	On-Demand	Anodyne	TRPV1	15	45
CSC(C)(C)CNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852162472	DG	On-Demand	Anodyne	MTNR1A	15	42
CSC(C)(C)CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852162500	FI	On-Demand	Anodyne	P2RY14	44	36
COc1ccc([C@@H]2CCCN2C(=O)NCC(C)(C)SC)cc1F	ZINC000852162557	EH	On-Demand	Anodyne	ACKR3	49	30
COc1cccc([C@]2(C)CCN(C(=O)NCC(C)(C)SC)C2)c1	ZINC000852162567	EH	On-Demand	Anodyne	DRD4	43	33
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NCC(F)F)CC2)C1	ZINC000852162591	GG	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NCC(F)F)CC2)C1	ZINC000852162592	GG	On-Demand	Anodyne	GPR119	24	40
CSC(C)(C)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852162631	EH	On-Demand	Anodyne	SCD1	19	43
CSC(C)(C)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852162631	EH	On-Demand	Anodyne	SCD	29	41
CSC(C)(C)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852162631	EH	On-Demand	Anodyne	TRPM8	30	54
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccc(Cl)cc2C1	ZINC000852162703	EG	On-Demand	Anodyne	ADAM9	45	32
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccc(Cl)cc2C1	ZINC000852162704	EG	On-Demand	Anodyne	ADAM9	45	32
C#C[C@H]1COCCN1CCc1ccc(C#N)cc1	ZINC000852162734	BD	On-Demand	Mild	KCNJ1	15	49
C#C[C@@H]1COCCN1CCc1ccc(C#N)cc1	ZINC000852162735	BD	On-Demand	Mild	KCNJ1	15	49
CSC(C)(C)CNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852162738	GF	On-Demand	Anodyne	SFRP1	56	32
CSC(C)(C)CNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852162738	GF	On-Demand	Anodyne	WNT3	58	32
CSC(C)(C)CNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852162739	GF	On-Demand	Anodyne	SFRP1	56	32
CSC(C)(C)CNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852162739	GF	On-Demand	Anodyne	WNT3	58	32
NC(=O)[C@](O)(CN1CCC[C@@H]2COC[C@@H]21)c1ccccc1	ZINC000852162750	CC	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CCC[C@@H]2COC[C@@H]21)c1ccccc1	ZINC000852162751	CC	On-Demand	Anodyne	CYP2J2	43	30
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCC(F)F)C2)CC1	ZINC000852162768	GG	On-Demand	Anodyne	GPR119	37	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCC(F)F)C2)CC1	ZINC000852162769	GG	On-Demand	Anodyne	GPR119	37	45
CSC(C)(C)CNC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852162866	FE	On-Demand	Anodyne	SIGMAR1	23	45
CC(C)(C)OC(=O)N1CCN(CCC#N)CCN(CCC#N)CC1	ZINC000852162875	ED	On-Demand	Mild	GPR119	29	43
C[C@@H](NC(=O)NCCC1SCCS1)c1cccc(-n2cccn2)c1	ZINC000852162904	FG	On-Demand	Anodyne	AMP1_PLAFQ	55	38
C[C@H](NC(=O)NCCC1SCCS1)c1cccc(-n2cccn2)c1	ZINC000852162905	FG	On-Demand	Anodyne	AMP1_PLAFQ	55	38
CC(C)(C)OC(=O)N1CCN(CCCCF)CCN(CCCCF)CC1	ZINC000852162920	GG	On-Demand	Anodyne	GPR119	32	41
CSC(C)(C)CNC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852162967	FE	On-Demand	Anodyne	SIGMAR1	23	45
CNC(=O)CN1CCN(CC(=O)NC)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852163193	FB	On-Demand	Anodyne	GPR119	32	40
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1cccc(-n2cccn2)c1	ZINC000852163196	GF	On-Demand	Anodyne	AMP1_PLAFQ	55	39
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1cccc(-n2cccn2)c1	ZINC000852163198	GF	On-Demand	Anodyne	AMP1_PLAFQ	55	39
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)O1	ZINC000852163214	GC	On-Demand	Reactive	AMP1_PLAFQ	41	33
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)O1	ZINC000852163215	GC	On-Demand	Reactive	AMP1_PLAFQ	41	33
FC(F)(F)c1nnc(CN2CCC(Oc3ccc(Cl)cn3)CC2)s1	ZINC000852163247	GH	On-Demand	Anodyne	SCN5A	44	32
COC(=O)c1ccc(CNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852163255	GF	On-Demand	Anodyne	BDKRB1	25	40
COc1ccc(N2CC[C@H](NC(=O)NCC(F)F)C2)cc1	ZINC000852163275	CD	On-Demand	Clean	MTNR1A	22	48
COc1ccc(N2CC[C@H](NC(=O)NCC(F)F)C2)cc1	ZINC000852163275	CD	On-Demand	Clean	MTNR1B	21	48
COC(=O)c1ccc(CNC(=O)NCC(C)(C)SC)c(F)c1	ZINC000852163332	EF	On-Demand	Anodyne	BDKRB1	28	44
CSC(C)(C)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852163375	DF	On-Demand	Anodyne	ACHE	27	40
CSC(C)(C)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852163375	DF	On-Demand	Anodyne	SIGMAR1	34	42
CSC(C)(C)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852163375	DF	On-Demand	Anodyne	CACNA1G	21	43
CSC(C)(C)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852163376	DF	On-Demand	Anodyne	ACHE	27	40
CSC(C)(C)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852163376	DF	On-Demand	Anodyne	SIGMAR1	34	42
CSC(C)(C)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852163376	DF	On-Demand	Anodyne	CACNA1G	21	43
CC(C)(C)OC(=O)N1CCN(CCCCC#N)CCN(CCCCC#N)CC1	ZINC000852163502	GG	On-Demand	Mild	GPR119	26	41
CNS(=O)(=O)c1ccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)cc1	ZINC000852163503	GF	On-Demand	Anodyne	SSTR5	60	38
CN1CCN(C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852163504	CD	On-Demand	Anodyne	GPR119	41	43
Cn1cnc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c1	ZINC000852163516	DF	On-Demand	Anodyne	SCN5A	71	34
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cccc(-n2cccn2)c1	ZINC000852163530	ED	On-Demand	Anodyne	AMP1_PLAFQ	52	36
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	ZINC000852163531	ED	On-Demand	Anodyne	AMP1_PLAFQ	52	36
CC(C)(C)OC(=O)N1CCN(Cc2cnon2)CCN(Cc2cnon2)CC1	ZINC000852163552	GD	On-Demand	Anodyne	GPR119	39	41
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1cccc(-n2cccn2)c1	ZINC000852163571	FF	On-Demand	Anodyne	AMP1_PLAFQ	52	36
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(-n2cccn2)c1	ZINC000852163581	GG	On-Demand	Anodyne	AMP1_PLAFQ	41	34
C[C@@H](NC(=O)NCC1SCCS1)c1cccc(-n2cccn2)c1	ZINC000852163619	EG	On-Demand	Anodyne	AMP1_PLAFQ	57	39
C[C@H](NC(=O)NCC1SCCS1)c1cccc(-n2cccn2)c1	ZINC000852163621	EG	On-Demand	Anodyne	AMP1_PLAFQ	57	39
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)[C@H]1COCCO1	ZINC000852163641	ED	On-Demand	Reactive	RPA1	45	32
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)[C@@H]1COCCO1	ZINC000852163643	ED	On-Demand	Reactive	RPA1	45	32
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3SC)C2)cc1	ZINC000852163646	GH	On-Demand	Clean	CCR3	28	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1COCCO1	ZINC000852163667	GC	On-Demand	Reactive	ACHE	16	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1COCCO1	ZINC000852163667	GC	On-Demand	Reactive	SIGMAR1	17	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1COCCO1	ZINC000852163667	GC	On-Demand	Reactive	CACNA1I	47	38
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1COCCO1	ZINC000852163668	GC	On-Demand	Reactive	ACHE	16	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1COCCO1	ZINC000852163668	GC	On-Demand	Reactive	SIGMAR1	17	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1COCCO1	ZINC000852163668	GC	On-Demand	Reactive	CACNA1I	47	38
CCOC(=O)CCCCCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852163669	DF	On-Demand	Anodyne	EPHX2	25	48
CCOC(=O)CCCCCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852163669	DF	On-Demand	Anodyne	ASAH1	71	37
CCOC(=O)CCCCCCCNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852163670	DF	On-Demand	Anodyne	EPHX2	25	48
CCOC(=O)CCCCCCCNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852163670	DF	On-Demand	Anodyne	ASAH1	71	37
CCOC(=O)CCCCCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852163671	DF	On-Demand	Anodyne	EPHX2	25	48
CCOC(=O)CCCCCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852163671	DF	On-Demand	Anodyne	ASAH1	71	37
CCOC(=O)CCCCCCCNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852163672	DF	On-Demand	Anodyne	EPHX2	25	48
CCOC(=O)CCCCCCCNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852163672	DF	On-Demand	Anodyne	ASAH1	71	37
CCOC(=O)CCCCCCCNC(=O)N1CCOc2ccc(O)cc2C1	ZINC000852163711	GG	On-Demand	Anodyne	ASAH1	50	35
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1COCCO1)c1ccc(F)cc1	ZINC000852163776	FD	On-Demand	Reactive	CACNA1G	40	45
CCC(CC)(CNC(=O)NNC(=O)[C@H]1COCCO1)c1ccc(F)cc1	ZINC000852163777	FD	On-Demand	Reactive	CACNA1G	40	45
O[C@@H]1CCCC[C@H]1N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852163894	DF	On-Demand	Anodyne	SLC18A3	43	52
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cccc(-n2cccn2)c1	ZINC000852163991	FE	On-Demand	Anodyne	KCNQ2	15	46
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cccc(-n2cccn2)c1	ZINC000852163992	FE	On-Demand	Anodyne	KCNQ2	15	46
CC(C)(C)OC(=O)N1CCN(Cc2ccno2)CCN(Cc2ccno2)CC1	ZINC000852164045	GE	On-Demand	Anodyne	GPR119	47	42
CC(C)(C)OC(=O)N1CCN(CC2(C#N)CC2)CCN(CC2(C#N)CC2)CC1	ZINC000852164052	GE	On-Demand	Mild	GPR119	20	41
CC(C)(C)OC(=O)N1CCN(CC(F)(F)F)CCN(CC(F)(F)F)CC1	ZINC000852164058	GF	On-Demand	Anodyne	GPR119	36	40
O[C@@H]1CCC[C@H]1N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852164062	CE	On-Demand	Anodyne	SLC18A3	39	50
CC(C)(C)OC(=O)N1CCN(Cc2ncc[nH]2)CCN(Cc2ncc[nH]2)CC1	ZINC000852164100	GD	On-Demand	Anodyne	GPR119	44	43
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)C2CC2)CCN(C[C@H](O)C2CC2)CC1	ZINC000852164104	GD	On-Demand	Anodyne	GPR119	40	40
CC(C)(C)OC(=O)N1CCN(C[C@H](O)C2CC2)CCN(C[C@H](O)C2CC2)CC1	ZINC000852164105	GD	On-Demand	Anodyne	GPR119	40	40
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)C2CC2)CCN(C[C@@H](O)C2CC2)CC1	ZINC000852164106	GD	On-Demand	Anodyne	GPR119	40	40
CC(C)(C)OC(=O)N1CCN(CCCC#N)CCN(CCCC#N)CC1	ZINC000852164107	FE	On-Demand	Mild	GPR119	26	41
CC(C)(C)OC(=O)N1CCN(CC2CC2)CCN(CC2CC2)CC1	ZINC000852164121	EF	On-Demand	Anodyne	GPR119	45	43
NC(=O)[C@](O)(CN1CCC(Oc2ccc(Cl)cn2)CC1)c1ccccc1	ZINC000852164127	GD	On-Demand	Anodyne	CHRM3	22	41
NC(=O)[C@@](O)(CN1CCC(Oc2ccc(Cl)cn2)CC1)c1ccccc1	ZINC000852164128	GD	On-Demand	Anodyne	CHRM3	22	41
CC(C)(C)OC(=O)N1CCN(CC(N)=O)CCN(CC(N)=O)CC1	ZINC000852164136	EA	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCN(Cc2cnc[nH]2)CCN(Cc2cnc[nH]2)CC1	ZINC000852164191	GD	On-Demand	Anodyne	GPR119	40	42
COCCN(CCF)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1	ZINC000852164216	EF	On-Demand	Anodyne	AMP1_PLAFQ	54	35
Nc1cccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c1	ZINC000852164234	DG	On-Demand	Anodyne	DRD4	29	40
Nc1cccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c1	ZINC000852164234	DG	On-Demand	Anodyne	SIGMAR1	26	40
Nc1cccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c1	ZINC000852164234	DG	On-Demand	Anodyne	CCR3	16	43
Nc1cccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)c1	ZINC000852164234	DG	On-Demand	Anodyne	SCN5A	67	35
C#CCCCN1CCN(CCCC#C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852164237	FF	On-Demand	Mild	GPR119	26	40
C[C@H]1C[C@@H](C)CN(CCN2CCC(Oc3ccc(Cl)cn3)CC2)C1	ZINC000852164244	FH	On-Demand	Anodyne	EBP	17	42
C#C[C@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C1CCOCC1	ZINC000852164252	FF	On-Demand	Mild	AMP1_PLAFQ	50	36
C#C[C@@H](NC(=O)N[C@H](C)c1cccc(-n2cccn2)c1)C1CCOCC1	ZINC000852164253	FF	On-Demand	Mild	AMP1_PLAFQ	50	36
C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)C1CCOCC1	ZINC000852164254	FF	On-Demand	Mild	AMP1_PLAFQ	50	36
C#C[C@H](NC(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)C1CCOCC1	ZINC000852164255	FF	On-Demand	Mild	AMP1_PLAFQ	50	36
CC(C)(C)OC(=O)N1CCN([C@H]2CCOC2=O)CCN([C@@H]2CCOC2=O)CC1	ZINC000852164285	GC	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CCN([C@H]2CCOC2=O)CCN([C@H]2CCOC2=O)CC1	ZINC000852164286	GC	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CCN([C@@H]2CCOC2=O)CCN([C@@H]2CCOC2=O)CC1	ZINC000852164287	GC	On-Demand	Anodyne	GPR119	39	43
C[C@@H](C(N)=O)N1CCN(C(=O)OC(C)(C)C)CCN([C@H](C)C(N)=O)CC1	ZINC000852164296	FB	On-Demand	Anodyne	GPR119	24	40
C[C@@H](C(N)=O)N1CCN(C(=O)OC(C)(C)C)CCN([C@@H](C)C(N)=O)CC1	ZINC000852164298	FB	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCN(Cc2cn[nH]c2)CCN(Cc2cn[nH]c2)CC1	ZINC000852164299	GD	On-Demand	Anodyne	GPR119	42	43
CC(C)(C)OC(=O)N1CCN(Cc2cn[nH]c2)CCN(Cc2cn[nH]c2)CC1	ZINC000852164299	GD	On-Demand	Anodyne	KDM1A	17	42
CC(C)(C)OC(=O)N1CCN(Cc2cc[nH]n2)CCN(Cc2cc[nH]n2)CC1	ZINC000852164313	GD	On-Demand	Anodyne	GPR119	45	41
CC(C)(C)OC(=O)N1CCN(Cc2cc[nH]n2)CCN(Cc2cc[nH]n2)CC1	ZINC000852164313	GD	On-Demand	Anodyne	KDM1A	17	40
CC(C)(C)OC(=O)N1CCN([C@H]2CCNC2=O)CCN([C@@H]2CCNC2=O)CC1	ZINC000852164333	GB	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CCN([C@H]2CCNC2=O)CCN([C@H]2CCNC2=O)CC1	ZINC000852164334	GB	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CCN([C@@H]2CCNC2=O)CCN([C@@H]2CCNC2=O)CC1	ZINC000852164335	GB	On-Demand	Anodyne	GPR119	39	43
Fc1cccc(CN2CCC(Oc3ccc(Cl)cn3)CC2)n1	ZINC000852164350	DG	On-Demand	Anodyne	SCN5A	84	39
CC(C)(C)OC(=O)N1CCN(Cc2cnn[nH]2)CCN(Cc2cnn[nH]2)CC1	ZINC000852164375	GC	On-Demand	Anodyne	GPR119	41	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C(C)(C)C)C2)cc1	ZINC000852164401	EF	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C(C)(C)C)C2)cc1	ZINC000852164402	EF	On-Demand	Clean	MTNR1A	15	48
CC(C)(C)OC(=O)N1CCN(Cc2ccon2)CCN(Cc2ccon2)CC1	ZINC000852164415	GE	On-Demand	Anodyne	GPR119	43	40
N#Cc1ccc(CCN2CCC(Oc3ccc(Cl)cn3)CC2)cc1	ZINC000852164416	EH	On-Demand	Mild	KCNJ1	23	51
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC(Oc3ccc(Cl)cn3)CC2)C1	ZINC000852164417	GH	On-Demand	Anodyne	HRH1	16	40
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC(Oc3ccc(Cl)cn3)CC2)C1	ZINC000852164417	GH	On-Demand	Anodyne	CCR3	20	40
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC(Oc3ccc(Cl)cn3)CC2)C1	ZINC000852164418	GH	On-Demand	Anodyne	HRH1	16	40
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC(Oc3ccc(Cl)cn3)CC2)C1	ZINC000852164418	GH	On-Demand	Anodyne	CCR3	20	40
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1cccc(-n2cccn2)c1	ZINC000852164422	GF	On-Demand	Anodyne	KCNQ2	15	47
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1cccc(-n2cccn2)c1	ZINC000852164422	GF	On-Demand	Anodyne	AMP1_PLAFQ	41	35
CCOC(=O)CCCCCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852164521	FE	On-Demand	Anodyne	ASAH1	61	35
CCOC(=O)CCCCCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852164522	FE	On-Demand	Anodyne	ASAH1	61	35
CCOC(=O)CCCCCCCNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852164523	FE	On-Demand	Anodyne	ASAH1	61	35
CCOC(=O)CCCCCCCNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852164524	FE	On-Demand	Anodyne	ASAH1	61	35
NC(=O)[C@](O)(CN1C[C@@H]2C[C@H]1CS2)c1ccccc1	ZINC000852164539	CC	On-Demand	Anodyne	CHRM3	17	42
NC(=O)[C@@](O)(CN1C[C@@H]2C[C@H]1CS2)c1ccccc1	ZINC000852164540	CC	On-Demand	Anodyne	CHRM3	17	42
CCOC(=O)CCCCCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852164600	DG	On-Demand	Anodyne	EPHX2	35	57
O=C(NCC(F)F)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852164624	GF	On-Demand	Anodyne	CCR5	58	36
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@@H]1COCCO1	ZINC000852164669	GD	On-Demand	Reactive	TRPM8	25	50
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@H]1COCCO1	ZINC000852164670	GD	On-Demand	Reactive	TRPM8	25	50
CCOC(=O)CCCCCCCNC(=O)N1CCc2nccnc2C1	ZINC000852164719	EE	On-Demand	Anodyne	ASAH1	46	34
O=C(NCC(F)F)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852164738	GE	On-Demand	Anodyne	EPHX2	25	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1COCCO1	ZINC000852164789	EB	On-Demand	Reactive	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1COCCO1	ZINC000852164789	EB	On-Demand	Reactive	SCN10A	23	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1COCCO1	ZINC000852164790	EB	On-Demand	Reactive	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1COCCO1	ZINC000852164790	EB	On-Demand	Reactive	SCN10A	23	43
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NNC(=O)[C@H]1COCCO1	ZINC000852164800	GD	On-Demand	Reactive	MDM2	67	34
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NNC(=O)[C@@H]1COCCO1	ZINC000852164801	GD	On-Demand	Reactive	MDM2	67	34
CCOC(=O)CCCCCCCNC(=O)N1[C@H]2CC[C@H]1CC(C)C2	ZINC000852164836	EH	On-Demand	Anodyne	EPHX2	21	50
O=C(NNC(=O)[C@H]1COCCO1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852164921	GC	On-Demand	Reactive	SSTR3	29	43
O=C(NNC(=O)[C@@H]1COCCO1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852164922	GC	On-Demand	Reactive	SSTR3	29	43
CCC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCC1	ZINC000852164977	CD	On-Demand	Anodyne	AMY2	59	36
CCC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCC1	ZINC000852164978	CD	On-Demand	Anodyne	AMY2	59	36
CCC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCC1	ZINC000852164979	CD	On-Demand	Anodyne	AMY2	59	36
CCC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCC1	ZINC000852164980	CD	On-Demand	Anodyne	AMY2	59	36
NC(=O)[C@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165018	ED	On-Demand	Anodyne	CHRM2	26	42
NC(=O)[C@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165018	ED	On-Demand	Anodyne	CHRM1	24	40
NC(=O)[C@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165018	ED	On-Demand	Anodyne	CHRM3	42	42
NC(=O)[C@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165018	ED	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165018	ED	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165019	ED	On-Demand	Anodyne	CHRM2	26	42
NC(=O)[C@@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165019	ED	On-Demand	Anodyne	CHRM1	24	40
NC(=O)[C@@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165019	ED	On-Demand	Anodyne	CHRM3	42	42
NC(=O)[C@@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165019	ED	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@@](O)(CN1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852165019	ED	On-Demand	Anodyne	CYP2J2	46	32
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCc3ccon3)C2)CC1	ZINC000852165164	GG	On-Demand	Anodyne	GPR119	41	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCc3ccon3)C2)CC1	ZINC000852165165	GG	On-Demand	Anodyne	GPR119	41	43
CCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165185	FE	On-Demand	Anodyne	LTA4H	40	51
CCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165185	FE	On-Demand	Anodyne	HRH3	48	41
CCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165185	FE	On-Demand	Anodyne	PSMB1	40	36
COc1ccc(N2CC[C@H](NC(=O)NCc3ccn(C)c3)C2)cc1	ZINC000852165224	EE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccn(C)c3)C2)cc1	ZINC000852165224	EE	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccn(C)c3)C2)cc1	ZINC000852165224	EE	On-Demand	Clean	MCHR1	16	46
COC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1	ZINC000852165239	GE	On-Demand	Clean	MTNR1A	19	46
COC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCC1	ZINC000852165239	GE	On-Demand	Clean	MTNR1B	19	46
COC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1	ZINC000852165240	GE	On-Demand	Clean	MTNR1A	19	46
COC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCC1	ZINC000852165240	GE	On-Demand	Clean	MTNR1B	19	46
C[C@@H](CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)N(C)Cc1ccccc1	ZINC000852165252	FE	On-Demand	Anodyne	CCR5	18	40
C[C@@H](CCNC(=O)N1CC[C@H](N2CCOC2=O)C1)N(C)Cc1ccccc1	ZINC000852165254	FE	On-Demand	Anodyne	CCR5	18	40
COC(=O)C1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCC1	ZINC000852165263	EC	On-Demand	Reactive	HCN1	52	33
COC(=O)C1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCC1	ZINC000852165263	EC	On-Demand	Reactive	HCN4	50	33
CC(C)(C)OC(=O)CCCNC(=O)NCC1SCCS1	ZINC000852165300	DE	On-Demand	Anodyne	EPHX2	19	55
O[C@H](CN1C[C@H]2CC[C@H]1CN2C[C@@H](O)c1ccccc1)c1ccccc1	ZINC000852165307	FF	On-Demand	Anodyne	SLC6A3	30	64
O[C@H](CN1C[C@H]2CC[C@H]1CN2C[C@@H](O)c1ccccc1)c1ccccc1	ZINC000852165307	FF	On-Demand	Anodyne	SLC18A3	20	55
O[C@H](CN1C[C@H]2CC[C@H]1CN2C[C@@H](O)c1ccccc1)c1ccccc1	ZINC000852165307	FF	On-Demand	Anodyne	Q8WSF8_APLCA	27	47
CC(C)(C)OC(=O)C(=O)N1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852165332	EC	On-Demand	Anodyne	ABCB1	21	42
CC(C)(C)OC(=O)C(=O)N1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852165333	EC	On-Demand	Anodyne	ABCB1	21	42
CCCCCNC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852165351	DD	On-Demand	Anodyne	TPP2	18	41
O=C(NCc1ccon1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852165354	EF	On-Demand	Anodyne	KCNH2	41	38
O=C(NCc1ccon1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852165354	EF	On-Demand	Anodyne	EPHX2	20	42
Cc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1F	ZINC000852165355	FD	On-Demand	Anodyne	TRPV1	21	42
COC(=O)c1cccc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852165356	ED	On-Demand	Anodyne	PREP	30	40
O=C(NCc1ccon1)NCc1cccnc1N1CCCC1	ZINC000852165428	DD	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1ccon1)NCc1cccnc1N1CCCC1	ZINC000852165428	DD	On-Demand	Anodyne	SCN10A	20	45
COC(=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CCCC1	ZINC000852165448	EE	On-Demand	Reactive	F10	48	32
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccon1	ZINC000852165566	CF	On-Demand	Anodyne	P2RX7	29	43
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccon1	ZINC000852165567	CF	On-Demand	Anodyne	P2RX7	29	43
CC(C)c1ccc2c(c1)CN(C(=O)NCc1ccon1)CC2	ZINC000852165624	CG	On-Demand	Anodyne	MAPK1	42	36
C[C@H]1CCc2ccccc2N1C(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852165630	GE	On-Demand	Anodyne	DRD4	23	40
COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1F	ZINC000852165778	GD	On-Demand	Anodyne	AVPR1B	42	34
O=C(NCc1ccon1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852165805	FG	On-Demand	Anodyne	CNR1	49	31
O=C(NCc1ccon1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852165805	FG	On-Demand	Anodyne	MC4R	64	38
O=C(NCc1ccon1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852165805	FG	On-Demand	Anodyne	CXCR3	16	40
COC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852165859	GF	On-Demand	Clean	MME	45	38
COC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852165859	GF	On-Demand	Clean	TIMP3	62	39
COC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852165859	GF	On-Demand	Clean	SLC12A5	42	32
COC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852165860	GF	On-Demand	Clean	MME	45	38
COC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852165860	GF	On-Demand	Clean	TIMP3	62	39
COC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852165860	GF	On-Demand	Clean	SLC12A5	42	32
O[C@H](CN1C[C@H]2CC[C@H]1CN2C[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1	ZINC000852165861	GF	On-Demand	Anodyne	SLC6A3	42	60
O[C@@H](CN1C[C@H]2CC[C@H]1CN2C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1	ZINC000852165862	GF	On-Demand	Anodyne	SLC6A3	42	60
O[C@H](CN1C[C@H]2CC[C@H]1CN2C[C@H](O)c1ccc(F)cc1)c1ccc(F)cc1	ZINC000852165863	GF	On-Demand	Anodyne	SLC6A3	42	60
COC(=O)C1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852165867	DB	On-Demand	Reactive	HCN1	59	37
COC(=O)C1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852165867	DB	On-Demand	Reactive	HCN4	50	33
C[C@@H](CCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cccc(C(F)(F)F)c1	ZINC000852165869	GG	On-Demand	Anodyne	CACNA1B	41	33
C[C@@H](CCNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cccc(C(F)(F)F)c1	ZINC000852165869	GG	On-Demand	Anodyne	CCR2	62	36
C[C@@H](CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cccc(C(F)(F)F)c1	ZINC000852165872	GG	On-Demand	Anodyne	CACNA1B	41	33
C[C@@H](CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cccc(C(F)(F)F)c1	ZINC000852165872	GG	On-Demand	Anodyne	CCR2	62	36
CC(C)(C)OC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852165880	GD	On-Demand	Anodyne	F13A1	17	40
COC[C@@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852165907	EE	On-Demand	Anodyne	MME	59	42
COC[C@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852165908	EE	On-Demand	Anodyne	MME	59	42
COC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852165911	ED	On-Demand	Anodyne	MME	56	38
COC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852165911	ED	On-Demand	Anodyne	SIGMAR1	18	40
COC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852165911	ED	On-Demand	Anodyne	CAPN1	35	43
COC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852165911	ED	On-Demand	Anodyne	CAPN2	17	43
COC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852165912	ED	On-Demand	Anodyne	MME	56	38
COC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852165912	ED	On-Demand	Anodyne	SIGMAR1	18	40
COC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852165912	ED	On-Demand	Anodyne	CAPN1	35	43
COC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852165912	ED	On-Demand	Anodyne	CAPN2	17	43
COC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852165952	GD	On-Demand	Anodyne	MME	46	40
COC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852165952	GD	On-Demand	Anodyne	CAPN2	45	31
COC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852165953	GD	On-Demand	Anodyne	MME	46	40
COC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852165953	GD	On-Demand	Anodyne	CAPN2	45	31
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165957	GF	On-Demand	Clean	ACE	31	42
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165957	GF	On-Demand	Clean	MME	33	42
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165957	GF	On-Demand	Clean	SIGMAR1	19	45
COC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165958	GF	On-Demand	Clean	ACE	31	42
COC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165958	GF	On-Demand	Clean	MME	33	42
COC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165958	GF	On-Demand	Clean	SIGMAR1	19	45
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165959	GF	On-Demand	Clean	ACE	31	42
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165959	GF	On-Demand	Clean	MME	33	42
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165959	GF	On-Demand	Clean	SIGMAR1	19	45
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165960	GF	On-Demand	Clean	ACE	31	42
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165960	GF	On-Demand	Clean	MME	33	42
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852165960	GF	On-Demand	Clean	SIGMAR1	19	45
CCCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165980	FF	On-Demand	Anodyne	LTA4H	37	51
CCCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165980	FF	On-Demand	Anodyne	HRH3	47	41
CCCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165980	FF	On-Demand	Anodyne	MMP13	31	43
CCCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165980	FF	On-Demand	Anodyne	MMP3	19	43
CCCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165980	FF	On-Demand	Anodyne	PLA2G4B	42	30
CCCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165980	FF	On-Demand	Anodyne	MMP7	20	43
CCCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165980	FF	On-Demand	Anodyne	MMP1	19	43
CCCOc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852165980	FF	On-Demand	Anodyne	PSMB1	40	36
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	F2	57	43
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	PRSS1	18	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	ACE	62	43
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	OPRM1	49	42
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	OPRD1	35	41
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	MME	45	43
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	TACR1	22	42
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	CMA1	46	40
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	CTRA_BOVIN	42	33
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	CTSB	17	45
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	TRY2_BOVIN	53	36
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	TRY1_BOVIN	81	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	NPFFR2	43	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	ITGA4	41	44
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	PREP	39	44
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	CELA2A	42	33
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	CAPN1	53	45
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	CAPN2	45	33
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	ACE2	45	39
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	WNT3	46	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	BRCA1	72	38
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166003	GD	On-Demand	Anodyne	TMPRSS11D	64	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	F2	57	43
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	PRSS1	18	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	ACE	62	43
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	OPRM1	49	42
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	OPRD1	35	41
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	MME	45	43
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	TACR1	22	42
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	CMA1	46	40
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	CTRA_BOVIN	42	33
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	CTSB	17	45
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	TRY2_BOVIN	53	36
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	TRY1_BOVIN	81	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	NPFFR2	43	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	ITGA4	41	44
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	PREP	39	44
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	CELA2A	42	33
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	CAPN1	53	45
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	CAPN2	45	33
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	ACE2	45	39
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	WNT3	46	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	BRCA1	72	38
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166005	GD	On-Demand	Anodyne	TMPRSS11D	64	39
O=C(NCc1ccon1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852166009	ED	On-Demand	Anodyne	ACHE	26	44
O=C(NCc1ccon1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852166009	ED	On-Demand	Anodyne	SIGMAR1	22	41
O=C(NCc1ccon1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852166009	ED	On-Demand	Anodyne	CACNA1I	63	43
C[C@H](NC(=O)NCC1SCCS1)[C@@H](C)c1ccccc1	ZINC000852166044	DG	On-Demand	Anodyne	MME	15	40
C[C@@H](NC(=O)NCC1SCCS1)[C@H](C)c1ccccc1	ZINC000852166046	DG	On-Demand	Anodyne	MME	15	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NCc3ccon3)CC2)C1	ZINC000852166051	GG	On-Demand	Anodyne	GPR119	32	40
C[C@H](NC(=O)NCC1SCCS1)[C@H](C)c1ccccc1	ZINC000852166052	DG	On-Demand	Anodyne	MME	15	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NCc3ccon3)CC2)C1	ZINC000852166053	GG	On-Demand	Anodyne	GPR119	32	40
Cc1ccccc1CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166064	CE	On-Demand	Anodyne	SLC6A1	48	35
CCCCNC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166099	DC	On-Demand	Anodyne	TPP2	18	40
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1c(F)cccc1Cl	ZINC000852166106	FG	On-Demand	Anodyne	CACNA1H	40	39
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1c(F)cccc1Cl	ZINC000852166106	FG	On-Demand	Anodyne	MAPK1	40	34
O=[N+]([O-])c1ccccc1CN1C[C@H]2CC[C@H]1CN2Cc1ccccc1[N+](=O)[O-]	ZINC000852166149	GG	On-Demand	Bother	COLA	75	33
CC(C)(C)OC(=O)C(=O)N1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852166152	ED	On-Demand	Mild	KCNJ1	66	58
CC(C)(C)OC(=O)C(=O)N1CCN(Cc2cccc(N)c2)CC1	ZINC000852166189	DD	On-Demand	Anodyne	HRH2	22	42
CC(C)(C)OC(=O)C(=O)N1CCN(Cc2cccc(N)c2)CC1	ZINC000852166189	DD	On-Demand	Anodyne	FAAH	23	42
O=C(CCN1C[C@H]2CC[C@H]1CN2CCC(=O)N1CCCC1)N1CCCC1	ZINC000852166190	FD	On-Demand	Anodyne	PREP	20	43
COC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852166196	DD	On-Demand	Anodyne	MME	51	42
COC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852166196	DD	On-Demand	Anodyne	PAPA1_CARPA	42	34
COC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852166196	DD	On-Demand	Anodyne	CAPN2	44	31
COC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852166197	DD	On-Demand	Anodyne	MME	51	42
COC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852166197	DD	On-Demand	Anodyne	PAPA1_CARPA	42	34
COC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852166197	DD	On-Demand	Anodyne	CAPN2	44	31
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852166225	GF	On-Demand	Anodyne	MME	37	40
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852166226	GF	On-Demand	Anodyne	MME	37	40
COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852166227	GF	On-Demand	Anodyne	MME	37	40
COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852166228	GF	On-Demand	Anodyne	MME	37	40
Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166285	FF	On-Demand	Anodyne	PPARG	79	42
Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166285	FF	On-Demand	Anodyne	PPARA	83	41
Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166285	FF	On-Demand	Anodyne	PDE8B	72	43
CCN(Cc1ccccc1)C(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166305	FD	On-Demand	Anodyne	FKBP1A	46	38
CCCCC[C@@H](C)NC(=O)CN1CCCN(CC)C[C@@H]1C	ZINC000852166318	CE	On-Demand	Anodyne	NOD1	45	31
CCCCC[C@@H](C)NC(=O)CN1CCCN(CC)C[C@H]1C	ZINC000852166322	CE	On-Demand	Anodyne	NOD1	45	31
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852166355	EC	On-Demand	Reactive	MME	34	40
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852166355	EC	On-Demand	Reactive	PAPA1_CARPA	45	36
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852166356	EC	On-Demand	Reactive	MME	34	40
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852166356	EC	On-Demand	Reactive	PAPA1_CARPA	45	36
O=[N+]([O-])c1cccc(CN2C[C@H]3CC[C@H]2CN3Cc2cccc([N+](=O)[O-])c2)c1	ZINC000852166511	GG	On-Demand	Bother	CACNA1C	54	36
O=[N+]([O-])c1cccc(CN2C[C@H]3CC[C@H]2CN3Cc2cccc([N+](=O)[O-])c2)c1	ZINC000852166511	GG	On-Demand	Bother	CACNA1D	87	36
CC(C)(C)OC(=O)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852166512	CC	On-Demand	Anodyne	SLC18A3	38	44
O[C@@H](CCN1C[C@H]2CC[C@H]1CN2CC[C@H](O)c1ccccc1)c1ccccc1	ZINC000852166517	GG	On-Demand	Anodyne	CHRM1	18	40
O[C@@H](CCN1C[C@H]2CC[C@H]1CN2CC[C@H](O)c1ccccc1)c1ccccc1	ZINC000852166517	GG	On-Demand	Anodyne	SLC6A3	40	57
O[C@@H](CCN1C[C@H]2CC[C@H]1CN2CC[C@H](O)c1ccccc1)c1ccccc1	ZINC000852166517	GG	On-Demand	Anodyne	SLC18A2	26	40
O[C@@H](CCN1C[C@H]2CC[C@H]1CN2CC[C@H](O)c1ccccc1)c1ccccc1	ZINC000852166517	GG	On-Demand	Anodyne	Q8WSF8_APLCA	32	40
O[C@H](CCN1C[C@H]2CC[C@H]1CN2CC[C@@H](O)c1ccccc1)c1ccccc1	ZINC000852166518	GG	On-Demand	Anodyne	CHRM1	18	40
O[C@H](CCN1C[C@H]2CC[C@H]1CN2CC[C@@H](O)c1ccccc1)c1ccccc1	ZINC000852166518	GG	On-Demand	Anodyne	SLC6A3	40	57
O[C@H](CCN1C[C@H]2CC[C@H]1CN2CC[C@@H](O)c1ccccc1)c1ccccc1	ZINC000852166518	GG	On-Demand	Anodyne	SLC18A2	26	40
O[C@H](CCN1C[C@H]2CC[C@H]1CN2CC[C@@H](O)c1ccccc1)c1ccccc1	ZINC000852166518	GG	On-Demand	Anodyne	Q8WSF8_APLCA	32	40
CC(C)(C)OC(=O)C(=O)N1CCN(Cc2nsc3ccccc23)CC1	ZINC000852166524	FE	On-Demand	Anodyne	HTR1A	17	41
CC(C)(C)OC(=O)C(=O)N1CCN(Cc2nsc3ccccc23)CC1	ZINC000852166524	FE	On-Demand	Anodyne	DRD2	22	41
COCCN(CCF)C(=O)N[C@@H](COC)Cc1ccccc1	ZINC000852166542	DD	On-Demand	Anodyne	MME	69	43
O=C(NCCCc1ccc(Cl)cc1Cl)N1CC[C@H](N2CCOC2=O)C1	ZINC000852166570	GG	On-Demand	Anodyne	P2RX7	31	41
O=C(NCCCc1ccc(Cl)cc1Cl)N1CC[C@H](N2CCOC2=O)C1	ZINC000852166570	GG	On-Demand	Anodyne	EPHX2	15	45
O=C(NCCCc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852166571	GG	On-Demand	Anodyne	P2RX7	31	41
O=C(NCCCc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852166571	GG	On-Demand	Anodyne	EPHX2	15	45
O=C(NCc1ccon1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852166572	EE	On-Demand	Anodyne	SSTR3	34	49
O=C(NCCc1cc(F)ccc1F)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852166594	GF	On-Demand	Clean	CCR3	29	42
O=C(NCc1ccon1)N1CCC(c2ccon2)CC1	ZINC000852166638	CD	On-Demand	Anodyne	ETHR	40	32
O=C(NCc1ccon1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852166641	FG	On-Demand	Anodyne	RPA1	81	33
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166655	FD	On-Demand	Anodyne	DRD4	27	48
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852166655	FD	On-Demand	Anodyne	TPP2	47	34
O=[N+]([O-])c1ccc(CN2C[C@H]3CC[C@H]2CN3Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000852166762	GG	On-Demand	Bother	KCNJ1	30	49
C[C@@H](CCNC(=O)NCc1ncccn1)c1cccc(C(F)(F)F)c1	ZINC000852166780	FG	On-Demand	Anodyne	PDS	41	37
CC(C)(C)OC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000852166795	GF	On-Demand	Mild	ABL1	42	35
CC(C)(C)OC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000852166795	GF	On-Demand	Mild	ABL2	44	35
COC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166797	DD	On-Demand	Anodyne	MME	60	44
COC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166797	DD	On-Demand	Anodyne	CAPNS1	56	31
COC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166797	DD	On-Demand	Anodyne	CAPN1	52	37
COC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166797	DD	On-Demand	Anodyne	CAPN2	44	32
COC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166797	DD	On-Demand	Anodyne	PDS	46	35
COC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166798	DD	On-Demand	Anodyne	MME	60	44
COC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166798	DD	On-Demand	Anodyne	CAPNS1	56	31
COC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166798	DD	On-Demand	Anodyne	CAPN1	52	37
COC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166798	DD	On-Demand	Anodyne	CAPN2	44	32
COC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852166798	DD	On-Demand	Anodyne	PDS	46	35
CC(C)(C)OC(=O)C(=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852166825	DC	On-Demand	Anodyne	SLC18A3	44	47
O=C(NCc1ccon1)NCC1CCN(C2CCOCC2)CC1	ZINC000852166846	DD	On-Demand	Anodyne	CACNA1I	52	32
C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccc(Cl)cc1	ZINC000852166866	GE	On-Demand	Anodyne	PTGER4	15	40
C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccc(Cl)cc1	ZINC000852166866	GE	On-Demand	Anodyne	PRCP	15	43
C[C@H](NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccc(Cl)cc1	ZINC000852166867	GE	On-Demand	Anodyne	PTGER4	15	40
C[C@H](NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccc(Cl)cc1	ZINC000852166867	GE	On-Demand	Anodyne	PRCP	15	43
O=C(NCc1ccon1)NCC1CCN(CC2CC2)CC1	ZINC000852166903	CD	On-Demand	Anodyne	CACNA1I	65	37
O=C(NCCCc1ccc(Cl)cc1Cl)NCc1ncccn1	ZINC000852166939	EG	On-Demand	Anodyne	P2RX7	32	41
O=C(NCCCc1ccc(Cl)cc1Cl)NCc1ncccn1	ZINC000852166939	EG	On-Demand	Anodyne	EPHX2	15	43
O=C(NCCCc1ccc(Cl)cc1Cl)NCc1ncccn1	ZINC000852166939	EG	On-Demand	Anodyne	ALPL	41	36
O=C(NCCCc1ccc(Cl)cc1Cl)NCc1ncccn1	ZINC000852166939	EG	On-Demand	Anodyne	SUCNR1	42	36
C[C@H](NC(=O)NCCC1SCCS1)[C@@H](C)c1ccccc1	ZINC000852167004	DH	On-Demand	Anodyne	MME	18	40
C[C@@H](NC(=O)NCCC1SCCS1)[C@H](C)c1ccccc1	ZINC000852167005	DH	On-Demand	Anodyne	MME	18	40
C[C@H](NC(=O)NCCC1SCCS1)[C@H](C)c1ccccc1	ZINC000852167006	DH	On-Demand	Anodyne	MME	18	40
CC(C)(C)OC(=O)C(=O)N1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1	ZINC000852167012	FE	On-Demand	Mild	PTAFR	36	41
CC(C)(C)OC(=O)C(=O)N1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1	ZINC000852167013	FE	On-Demand	Mild	PTAFR	36	41
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167038	GF	On-Demand	Anodyne	MME	54	39
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167038	GF	On-Demand	Anodyne	PAPA1_CARPA	60	42
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167038	GF	On-Demand	Anodyne	CTSL	18	42
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167038	GF	On-Demand	Anodyne	FPR1	60	40
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167039	GF	On-Demand	Anodyne	MME	54	39
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167039	GF	On-Demand	Anodyne	PAPA1_CARPA	60	42
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167039	GF	On-Demand	Anodyne	CTSL	18	42
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167039	GF	On-Demand	Anodyne	FPR1	60	40
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167040	GF	On-Demand	Anodyne	MME	54	39
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167040	GF	On-Demand	Anodyne	PAPA1_CARPA	60	42
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167040	GF	On-Demand	Anodyne	CTSL	18	42
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167040	GF	On-Demand	Anodyne	FPR1	60	40
COC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167041	GF	On-Demand	Anodyne	MME	54	39
COC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167041	GF	On-Demand	Anodyne	PAPA1_CARPA	60	42
COC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167041	GF	On-Demand	Anodyne	CTSL	18	42
COC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852167041	GF	On-Demand	Anodyne	FPR1	60	40
COC[C@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852167046	EF	On-Demand	Anodyne	MME	56	42
COC[C@@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852167047	EF	On-Demand	Anodyne	MME	56	42
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167053	GG	On-Demand	Anodyne	MME	43	41
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167053	GG	On-Demand	Anodyne	CTSB	18	44
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167053	GG	On-Demand	Anodyne	PAPA1_CARPA	40	36
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167053	GG	On-Demand	Anodyne	SOAT1	20	44
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167053	GG	On-Demand	Anodyne	CAPN1	24	44
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167053	GG	On-Demand	Anodyne	CAPN2	26	44
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167053	GG	On-Demand	Anodyne	PIN1	36	40
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167054	GG	On-Demand	Anodyne	MME	43	41
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167054	GG	On-Demand	Anodyne	CTSB	18	44
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167054	GG	On-Demand	Anodyne	PAPA1_CARPA	40	36
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167054	GG	On-Demand	Anodyne	SOAT1	20	44
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167054	GG	On-Demand	Anodyne	CAPN1	24	44
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167054	GG	On-Demand	Anodyne	CAPN2	26	44
COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167054	GG	On-Demand	Anodyne	PIN1	36	40
COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167055	GG	On-Demand	Anodyne	MME	43	41
COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167055	GG	On-Demand	Anodyne	CTSB	18	44
COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167055	GG	On-Demand	Anodyne	PAPA1_CARPA	40	36
COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167055	GG	On-Demand	Anodyne	SOAT1	20	44
COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167055	GG	On-Demand	Anodyne	CAPN1	24	44
COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167055	GG	On-Demand	Anodyne	CAPN2	26	44
COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852167055	GG	On-Demand	Anodyne	PIN1	36	40
COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167056	GG	On-Demand	Anodyne	MME	43	41
COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167056	GG	On-Demand	Anodyne	CTSB	18	44
COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167056	GG	On-Demand	Anodyne	PAPA1_CARPA	40	36
COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167056	GG	On-Demand	Anodyne	SOAT1	20	44
COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167056	GG	On-Demand	Anodyne	CAPN1	24	44
COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167056	GG	On-Demand	Anodyne	CAPN2	26	44
COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852167056	GG	On-Demand	Anodyne	PIN1	36	40
C[C@@H](CCNC(=O)N1CCC(N2CCOC2=O)CC1)N(C)Cc1ccccc1	ZINC000852167058	GF	On-Demand	Anodyne	CCR5	16	42
CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2O)CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852167074	GD	On-Demand	Anodyne	SLC18A3	43	44
CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2O)CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852167074	GD	On-Demand	Anodyne	GPR119	53	49
O=C(NCc1ccon1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852167122	EF	On-Demand	Anodyne	SCD1	18	44
O=C(NCc1ccon1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852167122	EF	On-Demand	Anodyne	SCD	29	42
O=C(NCc1ccon1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852167122	EF	On-Demand	Anodyne	TRPM8	17	51
COc1ccc(N2CC[C@H](NC(=O)NCCOCc3ccccc3)C2)cc1	ZINC000852167184	FF	On-Demand	Clean	SIGMAR1	24	46
COc1ccc(N2CC[C@H](NC(=O)NCCOCc3ccccc3)C2)cc1	ZINC000852167184	FF	On-Demand	Clean	MTNR1A	23	46
COc1ccc(N2CC[C@H](NC(=O)NCCOCc3ccccc3)C2)cc1	ZINC000852167184	FF	On-Demand	Clean	MTNR1B	23	46
COc1ccc(N2CC[C@H](NC(=O)NCCOCc3ccccc3)C2)cc1	ZINC000852167184	FF	On-Demand	Clean	EPHX2	19	40
COc1ccc(N2CC[C@H](NC(=O)NCCOCc3ccccc3)C2)cc1	ZINC000852167184	FF	On-Demand	Clean	MCHR1	22	46
CC(C)(C)OC(=O)CCCNC(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2	ZINC000852167218	GF	On-Demand	Anodyne	EPHX2	19	50
CC(C)(C)OC(=O)C(=O)N1CCN(CCOCc2ccccc2)CC1	ZINC000852167226	ED	On-Demand	Anodyne	HTR1A	22	43
CC(C)(C)OC(=O)C(=O)N1CCN(CCOCc2ccccc2)CC1	ZINC000852167226	ED	On-Demand	Anodyne	DRD2	18	43
CC(C)(C)OC(=O)C(=O)N1CCN(CCOCc2ccccc2)CC1	ZINC000852167226	ED	On-Demand	Anodyne	DRD3	17	40
CC(C)(C)OC(=O)C(=O)N1CCN(CCOCc2ccccc2)CC1	ZINC000852167226	ED	On-Demand	Anodyne	SIGMAR1	23	50
COC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852167232	ED	On-Demand	Anodyne	MME	59	42
COC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852167232	ED	On-Demand	Anodyne	PAPA1_CARPA	41	37
COC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852167233	ED	On-Demand	Anodyne	MME	59	42
COC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852167233	ED	On-Demand	Anodyne	PAPA1_CARPA	41	37
COC(=O)C1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCC1	ZINC000852167244	GE	On-Demand	Clean	SLC12A5	45	33
CC(C)(C)OC(=O)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852167274	ED	On-Demand	Mild	PTAFR	47	52
CC(C)(C)OC(=O)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852167275	ED	On-Demand	Mild	PTAFR	47	52
O=C(NCCOCc1ccccc1)NCc1ncccn1	ZINC000852167350	CD	On-Demand	Anodyne	PPIA	41	40
COC[C@@H](Cc1ccccc1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852167360	FD	On-Demand	Anodyne	MME	34	40
COC[C@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852167361	FD	On-Demand	Anodyne	MME	34	40
COC[C@H](Cc1ccccc1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852167362	FD	On-Demand	Anodyne	MME	34	40
COC[C@@H](Cc1ccccc1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852167363	FD	On-Demand	Anodyne	MME	34	40
O=C(NCc1ccon1)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852167364	CD	On-Demand	Anodyne	ETHR	41	33
O=C(NCc1ccon1)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852167365	CD	On-Demand	Anodyne	ETHR	41	33
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852167386	GC	On-Demand	Reactive	CTRA_BOVIN	51	32
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852167386	GC	On-Demand	Reactive	CTSG	41	32
COC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852167386	GC	On-Demand	Reactive	CELA2A	42	34
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852167387	GC	On-Demand	Reactive	CTRA_BOVIN	51	32
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852167387	GC	On-Demand	Reactive	CTSG	41	32
COC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852167387	GC	On-Demand	Reactive	CELA2A	42	34
O=C(NCCOCc1ccccc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852167392	GH	On-Demand	Anodyne	ADRB2	42	37
O=C(NCCOCc1ccccc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852167392	GH	On-Demand	Anodyne	ADRB1	37	44
O=C(NCCOCc1ccccc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852167392	GH	On-Demand	Anodyne	ADRB3	52	44
O=C(NCCOCc1ccccc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852167392	GH	On-Demand	Anodyne	CAPN2	31	40
O=C(NCCOCc1ccccc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852167393	GH	On-Demand	Anodyne	ADRB2	42	37
O=C(NCCOCc1ccccc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852167393	GH	On-Demand	Anodyne	ADRB1	37	44
O=C(NCCOCc1ccccc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852167393	GH	On-Demand	Anodyne	ADRB3	52	44
O=C(NCCOCc1ccccc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852167393	GH	On-Demand	Anodyne	CAPN2	31	40
O=C(NCCOCc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852167394	ED	On-Demand	Anodyne	NPSR1	25	40
O=C(NCCOCc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852167395	ED	On-Demand	Anodyne	NPSR1	25	40
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)[C@H](C)c1ccccc1	ZINC000852167469	EF	On-Demand	Anodyne	BIRC8	58	36
O=C(NCc1ccon1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852167491	GE	On-Demand	Anodyne	EPHX2	21	41
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852167566	DE	On-Demand	Anodyne	TIMP3	41	35
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852167566	DE	On-Demand	Anodyne	CAPN2	45	32
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852167567	DE	On-Demand	Anodyne	TIMP3	41	35
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852167567	DE	On-Demand	Anodyne	CAPN2	45	32
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852167568	DE	On-Demand	Anodyne	TIMP3	41	35
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852167568	DE	On-Demand	Anodyne	CAPN2	45	32
COC[C@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852167569	DE	On-Demand	Anodyne	TIMP3	41	35
COC[C@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852167569	DE	On-Demand	Anodyne	CAPN2	45	32
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852167578	CE	On-Demand	Anodyne	MME	47	39
COC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852167578	CE	On-Demand	Anodyne	TIMP3	41	34
COC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852167579	CE	On-Demand	Anodyne	MME	47	39
COC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852167579	CE	On-Demand	Anodyne	TIMP3	41	34
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852167580	CE	On-Demand	Anodyne	MME	47	39
COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852167580	CE	On-Demand	Anodyne	TIMP3	41	34
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852167581	CE	On-Demand	Anodyne	MME	47	39
COC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852167581	CE	On-Demand	Anodyne	TIMP3	41	34
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(N)=O)o3)C2)cc1	ZINC000852167587	FD	On-Demand	Clean	MCHR1	15	46
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(N)=O)o3)C2)cc1	ZINC000852167587	FD	On-Demand	Clean	PROKR1	46	31
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H](C)[C@H](C)c2ccccc2)O1	ZINC000852167626	ED	On-Demand	Reactive	BIRC8	45	33
O=C(NCCOCc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852167650	DE	On-Demand	Anodyne	SLC12A5	44	31
O=C(NCCOCc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852167651	DE	On-Demand	Anodyne	SLC12A5	44	31
O=C(NCc1ccon1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852167654	CD	On-Demand	Anodyne	CCR3	50	35
O=C(NCc1ccon1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852167655	CD	On-Demand	Anodyne	CCR3	50	35
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)ccc3F)C2)cc1	ZINC000852167656	GG	On-Demand	Clean	CCR3	34	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)ccc3F)C2)cc1	ZINC000852167656	GG	On-Demand	Clean	MTNR1A	45	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)ccc3F)C2)cc1	ZINC000852167656	GG	On-Demand	Clean	MTNR1B	32	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)ccc3F)C2)cc1	ZINC000852167656	GG	On-Demand	Clean	MCHR1	18	45
COC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852167662	GG	On-Demand	Anodyne	PAPA1_CARPA	53	45
COC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852167662	GG	On-Demand	Anodyne	CTSL	19	45
COC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852167662	GG	On-Demand	Anodyne	TACR3	16	45
COC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852167662	GG	On-Demand	Anodyne	FPR1	51	40
COC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852167663	GG	On-Demand	Anodyne	PAPA1_CARPA	53	45
COC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852167663	GG	On-Demand	Anodyne	CTSL	19	45
COC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852167663	GG	On-Demand	Anodyne	TACR3	16	45
COC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852167663	GG	On-Demand	Anodyne	FPR1	51	40
O=C(NCCOCc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852167725	GF	On-Demand	Clean	SLC12A5	64	35
CCC(CC)(CNC(=O)NCc1ccon1)c1ccc(F)cc1	ZINC000852167731	DG	On-Demand	Anodyne	CACNA1G	36	42
Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852167829	GF	On-Demand	Anodyne	SOAT1	30	40
COc1ccc(OCCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852167844	FE	On-Demand	Anodyne	FKBP1A	30	43
COc1ccc(OCCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852167844	FE	On-Demand	Anodyne	LTA4H	23	48
COc1ccc(OCCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852167844	FE	On-Demand	Anodyne	HRH3	88	47
COc1ccc(OCCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852167844	FE	On-Demand	Anodyne	MMP13	52	44
COc1ccc(OCCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852167844	FE	On-Demand	Anodyne	MMP3	51	43
COc1ccc(OCCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852167844	FE	On-Demand	Anodyne	MMP8	22	44
COc1ccc(OCCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852167844	FE	On-Demand	Anodyne	MMP7	52	43
COc1ccc(OCCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852167844	FE	On-Demand	Anodyne	MMP1	51	44
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CC3)C2)cc1	ZINC000852167955	DE	On-Demand	Clean	MTNR1A	23	48
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CC3)C2)cc1	ZINC000852167955	DE	On-Demand	Clean	MTNR1B	21	48
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CC3)C2)cc1	ZINC000852167955	DE	On-Demand	Clean	EPHX2	15	43
COc1ccc(-c2noc(CN3CCC[C@H]3C(=O)N=S(C)(C)=O)n2)cc1	ZINC000852167969	GD	On-Demand	Anodyne	CPT1A	28	44
COc1cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)ccc1OC(F)F	ZINC000852167976	GF	On-Demand	Anodyne	FKBP1A	44	39
COc1cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)ccc1OC(F)F	ZINC000852167976	GF	On-Demand	Anodyne	AVPR1B	40	32
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168038	GD	On-Demand	Anodyne	ADRB1	38	47
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168038	GD	On-Demand	Anodyne	ADRB3	21	40
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168038	GD	On-Demand	Anodyne	ACOX1	42	35
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168039	GD	On-Demand	Anodyne	ADRB1	38	47
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168039	GD	On-Demand	Anodyne	ADRB3	21	40
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168039	GD	On-Demand	Anodyne	ACOX1	42	35
COC(=O)N(C)CCNC(=O)NCc1ccc(OC)cc1OC1CCCC1	ZINC000852168105	GF	On-Demand	Anodyne	MTNR1A	44	38
CC(C)c1ccccc1NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168110	FE	On-Demand	Anodyne	KCNQ2	45	33
Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c(C)c1	ZINC000852168119	FD	On-Demand	Anodyne	ABCB1	35	42
Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c(C)c1	ZINC000852168120	FD	On-Demand	Anodyne	ABCB1	35	42
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000852168187	GD	On-Demand	Anodyne	MTNR1A	16	48
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000852168188	GD	On-Demand	Anodyne	MTNR1A	16	48
Cc1cccc(CNC(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852168241	FD	On-Demand	Anodyne	F2	19	44
Cc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168255	FD	On-Demand	Anodyne	TMPRSS11D	54	33
CCC[C@H](NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccccc1	ZINC000852168294	GE	On-Demand	Anodyne	TRY1_BOVIN	43	38
CCC[C@@H](NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccccc1	ZINC000852168295	GE	On-Demand	Anodyne	TRY1_BOVIN	43	38
COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168302	GD	On-Demand	Anodyne	AVPR1B	42	34
COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168302	GD	On-Demand	Anodyne	MMP13	29	42
COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168302	GD	On-Demand	Anodyne	MMP3	37	40
COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168302	GD	On-Demand	Anodyne	MMP8	17	42
COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168302	GD	On-Demand	Anodyne	MMP7	31	40
COc1ccc(CN(C)C(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168302	GD	On-Demand	Anodyne	MMP1	35	41
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	LTA4H	42	53
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	HRH3	55	41
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	MMP13	52	42
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	MMP3	51	42
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	MMP8	22	42
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	MMP9	32	40
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	MMP7	50	42
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	MMP1	50	42
COc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168307	ED	On-Demand	Anodyne	PSMB1	40	36
CC(C)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168403	BD	On-Demand	Anodyne	HSD11B1	29	50
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2(C)CC2)O1	ZINC000852168416	FD	On-Demand	Reactive	NPFFR1	41	37
COC(=O)c1sccc1NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168477	GD	On-Demand	Anodyne	FAS	36	46
Cc1ccccc1CNC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168490	FD	On-Demand	Anodyne	SLC6A1	42	33
Cc1ccccc1CNC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168490	FD	On-Demand	Anodyne	P2RX7	25	44
Cc1ccccc1CNC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168490	FD	On-Demand	Anodyne	CCR8	58	32
CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852168494	GD	On-Demand	Anodyne	ACOX1	44	32
CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852168494	GD	On-Demand	Anodyne	ABCB1	34	49
CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852168495	GD	On-Demand	Anodyne	ACOX1	44	32
CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852168495	GD	On-Demand	Anodyne	ABCB1	34	49
CCOc1ccccc1NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168500	FD	On-Demand	Anodyne	HCN1	41	32
CCOc1ccccc1NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168500	FD	On-Demand	Anodyne	HCN4	41	32
CCOc1ccc(-c2noc(CN3CCC[C@H]3C(=O)N=S(C)(C)=O)n2)cc1	ZINC000852168530	GE	On-Demand	Anodyne	CPT1A	42	41
CCOc1ccccc1OCCN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168548	FE	On-Demand	Anodyne	HCN1	41	32
CCOc1ccccc1OCCN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852168548	FE	On-Demand	Anodyne	HCN4	42	32
COc1ccc(N2CC[C@H](NC(=O)NCC3(CS(C)(=O)=O)CC3)C2)cc1	ZINC000852168555	GD	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(CS(C)(=O)=O)CC3)C2)cc1	ZINC000852168555	GD	On-Demand	Clean	MTNR1B	15	45
CS(=O)(=O)CC1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852168724	GE	On-Demand	Anodyne	ADRB2	35	40
CS(=O)(=O)CC1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852168724	GE	On-Demand	Anodyne	ADRB3	22	43
CS(=O)(=O)CC1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852168725	GE	On-Demand	Anodyne	ADRB2	35	40
CS(=O)(=O)CC1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852168725	GE	On-Demand	Anodyne	ADRB3	22	43
CSc1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852168889	FF	On-Demand	Anodyne	LTA4H	29	48
COc1cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)ccc1SC	ZINC000852168937	FF	On-Demand	Anodyne	AVPR1B	40	33
COc1cccc(S(=O)(=O)CCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852168939	GD	On-Demand	Anodyne	FKBP1A	49	39
COc1cccc(S(=O)(=O)CCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852168939	GD	On-Demand	Anodyne	DRD4	40	32
COc1cccc(S(=O)(=O)CCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852168939	GD	On-Demand	Anodyne	ACKR3	42	30
CC(C)(C)OC(=O)N1CCC(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)CC1	ZINC000852168965	GE	On-Demand	Anodyne	GPR119	38	43
CS(=O)(=O)c1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852169030	GD	On-Demand	Anodyne	LTA4H	34	50
CS(=O)(=O)c1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852169030	GD	On-Demand	Anodyne	HRH3	48	41
CS(=O)(=O)c1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852169030	GD	On-Demand	Anodyne	MMP13	41	39
COCCc1ccc(OC[C@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852169076	GD	On-Demand	Anodyne	ADRB2	15	44
COCCc1ccc(OC[C@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852169076	GD	On-Demand	Anodyne	ADRB1	32	44
COCCc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852169077	GD	On-Demand	Anodyne	ADRB2	15	44
COCCc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852169077	GD	On-Demand	Anodyne	ADRB1	32	44
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852169103	GD	On-Demand	Anodyne	HRH3	24	41
CN(CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)Cc1ccccc1	ZINC000852169110	ED	On-Demand	Anodyne	PREP	48	36
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169183	GC	On-Demand	Reactive	KCNK3	40	34
C[C@H](O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852169237	BC	On-Demand	Anodyne	HSD11B1	26	40
Cn1c(=O)c(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc2ccccc21	ZINC000852169307	FD	On-Demand	Anodyne	NPSR1	36	46
COc1cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)ccc1[N+](=O)[O-]	ZINC000852169325	FD	On-Demand	Bother	AVPR1B	42	35
CN(CCNC(=O)N1CC[C@H](N2CCOC2=O)C1)Cc1ccc(F)cc1	ZINC000852169335	FD	On-Demand	Anodyne	NPSR1	23	40
CN(CCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)Cc1ccc(F)cc1	ZINC000852169336	FD	On-Demand	Anodyne	NPSR1	23	40
C[C@H]1CCC[C@@H](CN2CCC[C@H]2C(=O)N=S(C)(C)=O)C1	ZINC000852169410	DF	On-Demand	Anodyne	HSD11B1	30	43
Cc1ccccc1CCCN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852169432	DF	On-Demand	Anodyne	SLC6A1	40	34
CS(=O)(=O)N1CCC[C@H](CN2CCC[C@H]2C(=O)N=S(C)(C)=O)C1	ZINC000852169466	FC	On-Demand	Anodyne	HSD11B1	29	40
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852169496	FG	On-Demand	Anodyne	DRD4	33	45
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852169496	FG	On-Demand	Anodyne	ACHE	41	43
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852169496	FG	On-Demand	Anodyne	HRH2	40	46
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852169496	FG	On-Demand	Anodyne	SIGMAR1	41	53
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852169496	FG	On-Demand	Anodyne	CCR3	37	42
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852169496	FG	On-Demand	Anodyne	MCHR1	15	40
CCCOc1cccc(CNC(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169497	GD	On-Demand	Anodyne	HRH2	34	41
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852169498	FG	On-Demand	Anodyne	DRD4	33	45
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852169498	FG	On-Demand	Anodyne	ACHE	41	43
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852169498	FG	On-Demand	Anodyne	HRH2	40	46
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852169498	FG	On-Demand	Anodyne	SIGMAR1	41	53
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852169498	FG	On-Demand	Anodyne	CCR3	37	42
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852169498	FG	On-Demand	Anodyne	MCHR1	15	40
COc1ccccc1N1CC[C@H](N2CCC[C@H]2C(=O)N=S(C)(C)=O)C1=O	ZINC000852169583	GD	On-Demand	Anodyne	HTR1A	27	42
COc1ccccc1N1CC[C@@H](N2CCC[C@H]2C(=O)N=S(C)(C)=O)C1=O	ZINC000852169585	GD	On-Demand	Anodyne	HTR1A	27	42
COc1ccc2c(CN3CCC[C@H]3C(=O)N=S(C)(C)=O)cc(=O)oc2c1	ZINC000852169586	GE	On-Demand	Anodyne	MAOB	20	56
COc1cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)ccc1C	ZINC000852169695	DE	On-Demand	Anodyne	AVPR1B	43	36
CCOc1ccccc1NC(=O)CCN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852169726	GE	On-Demand	Anodyne	HCN1	40	31
CCOc1ccccc1NC(=O)CCN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852169726	GE	On-Demand	Anodyne	HCN4	40	31
COc1cccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169911	ED	On-Demand	Anodyne	FKBP1A	57	38
COc1cccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169911	ED	On-Demand	Anodyne	DRD4	41	33
COc1cccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169911	ED	On-Demand	Anodyne	HRH3	28	48
COc1cccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169911	ED	On-Demand	Anodyne	MTNR1A	16	40
COc1cccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169911	ED	On-Demand	Anodyne	MTNR1B	19	40
COc1cccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169911	ED	On-Demand	Anodyne	CHRNA10	39	46
COc1cccc(OCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852169911	ED	On-Demand	Anodyne	ACKR3	41	31
O=C(NNC(=O)c1cccc(F)n1)NC1CCN(C2CCCC2)CC1	ZINC000852169991	ED	On-Demand	Reactive	EPHX2	17	43
O=C1CCC2=C(CCN(C(=O)NCCCNC(=O)C3CCC3)C2)N1	ZINC000852169997	EC	On-Demand	Anodyne	TBK1	43	33
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3CCC(c4ccncn4)CC3)O2)C1	ZINC000852170021	GF	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3CCC(c4ccncn4)CC3)O2)C1	ZINC000852170025	GF	On-Demand	Anodyne	GPR119	22	43
CCCC[C@@H](CCC)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852170050	DF	On-Demand	Anodyne	EPHX2	23	41
COc1cccc(OC)c1OCCCCN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170052	GF	On-Demand	Anodyne	FKBP1A	43	38
COc1cccc(OC)c1OCCCCN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170052	GF	On-Demand	Anodyne	ACKR3	62	31
CCCC[C@H](CCC)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852170068	DF	On-Demand	Anodyne	EPHX2	23	41
O=C(NCCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)C1CCC1	ZINC000852170071	EC	On-Demand	Anodyne	TBK1	60	34
O=C(NCCCNC(=O)N1CC[C@H](N2CCOC2=O)C1)C1CCC1	ZINC000852170074	EC	On-Demand	Anodyne	TBK1	60	34
CC(=O)c1cccc(NC(=O)CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852170086	FD	On-Demand	Anodyne	CCR3	25	43
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	CHRM2	15	42
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	DRD2	17	46
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	DRD4	39	46
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	ACHE	48	48
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	HRH2	46	52
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	DRD3	16	46
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	SIGMAR1	52	54
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	SSTR5	63	38
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	CCR3	36	43
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	SCN5A	48	35
O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NCc1ncccn1	ZINC000852170094	GE	On-Demand	Anodyne	EPHX2	17	42
O=C(NCCCNC(=O)C1CCC1)N[C@@H]1C=CCC1	ZINC000852170102	CD	On-Demand	Anodyne	TBK1	64	33
O=C(NCCCNC(=O)C1CCC1)N[C@H]1C=CCC1	ZINC000852170105	CD	On-Demand	Anodyne	TBK1	64	33
C[C@@H](CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)OCc1ccccc1	ZINC000852170106	FF	On-Demand	Anodyne	ACE	38	42
C[C@@H](CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)OCc1ccccc1	ZINC000852170106	FF	On-Demand	Anodyne	FKBP1A	46	38
C[C@@H](CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)OCc1ccccc1	ZINC000852170106	FF	On-Demand	Anodyne	CTRA_BOVIN	42	31
C[C@@H](CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)OCc1ccccc1	ZINC000852170106	FF	On-Demand	Anodyne	TRY1_BOVIN	52	35
C[C@@H](CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)OCc1ccccc1	ZINC000852170106	FF	On-Demand	Anodyne	PREP	52	35
C[C@@H](CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)OCc1ccccc1	ZINC000852170106	FF	On-Demand	Anodyne	BRCA1	60	33
C[C@@H](CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)OCc1ccccc1	ZINC000852170106	FF	On-Demand	Anodyne	TMPRSS11D	41	33
CO[C@@H](CN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccccc1	ZINC000852170126	DE	On-Demand	Anodyne	FKBP1A	52	37
CN(CCN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccccc1	ZINC000852170156	DD	On-Demand	Anodyne	SLC6A1	44	38
CNC(=O)[C@@H](NC(=O)CN1CCC[C@H]1C(=O)N=S(C)(C)=O)c1ccccc1	ZINC000852170214	GC	On-Demand	Anodyne	XIAP	45	39
CCCOc1cccc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852170301	EF	On-Demand	Anodyne	FKBP1A	40	35
CCCOc1cccc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852170301	EF	On-Demand	Anodyne	HRH2	36	45
Cc1cc(F)ccc1CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170351	DE	On-Demand	Anodyne	SLC6A1	22	45
Cc1cc(F)ccc1CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170351	DE	On-Demand	Anodyne	P2RX7	18	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCCC4)CC3)C2)cc1	ZINC000852170457	GF	On-Demand	Clean	CHRM2	49	43
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCCC4)CC3)C2)cc1	ZINC000852170457	GF	On-Demand	Clean	CHRM4	19	43
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCCC4)CC3)C2)cc1	ZINC000852170457	GF	On-Demand	Clean	HRH3	30	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCCC4)CC3)C2)cc1	ZINC000852170457	GF	On-Demand	Clean	SIGMAR1	15	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCCC4)CC3)C2)cc1	ZINC000852170457	GF	On-Demand	Clean	CCR4	19	41
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCCC4)CC3)C2)cc1	ZINC000852170457	GF	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCCC4)CC3)C2)cc1	ZINC000852170457	GF	On-Demand	Clean	EPHX2	25	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCCC4)CC3)C2)cc1	ZINC000852170457	GF	On-Demand	Clean	L3MBTL3	40	38
CC[C@@H](CNC(=O)N(C)CCN(C)C(=O)OC)Oc1ccccc1Cl	ZINC000852170466	FF	On-Demand	Anodyne	PDS	32	42
COCC(COC)N1CCN(CC(=O)NC(=O)c2ccc(OC)cc2)CC1	ZINC000852170476	GC	On-Demand	Anodyne	DRD4	41	32
COCC(COC)N1CCN(CC(=O)NC(=O)c2ccc(OC)cc2)CC1	ZINC000852170476	GC	On-Demand	Anodyne	ACOX1	49	32
COc1cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)ccc1Cl	ZINC000852170504	EF	On-Demand	Anodyne	DRD2	42	36
COc1cc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)ccc1Cl	ZINC000852170504	EF	On-Demand	Anodyne	AVPR1B	44	37
O=C(NCCCNC(=O)C1CCC1)NCCS(=O)(=O)CC(F)(F)F	ZINC000852170519	FC	On-Demand	Anodyne	TBK1	56	34
O=C(NC1CCN(C2CCCC2)CC1)N[C@@H]1C=CCC1	ZINC000852170523	CE	On-Demand	Anodyne	EPHX2	23	42
O=C(NC1CCN(C2CCCC2)CC1)N[C@H]1C=CCC1	ZINC000852170524	CE	On-Demand	Anodyne	EPHX2	23	42
NC(=O)[C@@](O)(CN1CCO[C@H](C2CCC2)C1)c1ccccc1	ZINC000852170530	DC	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@@](O)(CN1CCO[C@H](C2CCC2)C1)c1ccccc1	ZINC000852170530	DC	On-Demand	Anodyne	CHRM3	33	41
NC(=O)[C@@](O)(CN1CCO[C@H](C2CCC2)C1)c1ccccc1	ZINC000852170530	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CCO[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852170531	DC	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@@](O)(CN1CCO[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852170531	DC	On-Demand	Anodyne	CHRM3	33	41
NC(=O)[C@@](O)(CN1CCO[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852170531	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CCO[C@H](C2CCC2)C1)c1ccccc1	ZINC000852170532	DC	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@](O)(CN1CCO[C@H](C2CCC2)C1)c1ccccc1	ZINC000852170532	DC	On-Demand	Anodyne	CHRM3	33	41
NC(=O)[C@](O)(CN1CCO[C@H](C2CCC2)C1)c1ccccc1	ZINC000852170532	DC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CCO[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852170533	DC	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@](O)(CN1CCO[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852170533	DC	On-Demand	Anodyne	CHRM3	33	41
NC(=O)[C@](O)(CN1CCO[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852170533	DC	On-Demand	Anodyne	CYP2J2	44	31
COCC(COC)N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852170534	FC	On-Demand	Anodyne	ACOX1	50	38
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C3CCC3)C2)cc1	ZINC000852170543	FD	On-Demand	Clean	MTNR1A	36	45
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C3CCC3)C2)cc1	ZINC000852170543	FD	On-Demand	Clean	MTNR1B	33	45
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C3CCC3)C2)cc1	ZINC000852170543	FD	On-Demand	Clean	EPHX2	15	40
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C3CCC3)C2)cc1	ZINC000852170543	FD	On-Demand	Clean	IKBKE	49	44
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C3CCC3)C2)cc1	ZINC000852170543	FD	On-Demand	Clean	TBK1	88	44
CO[C@@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170582	ED	On-Demand	Anodyne	F2	29	42
CO[C@@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170582	ED	On-Demand	Anodyne	ACE	40	38
CO[C@@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170582	ED	On-Demand	Anodyne	FKBP1A	55	43
CO[C@@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170582	ED	On-Demand	Anodyne	TRY1_BOVIN	52	35
CO[C@@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170582	ED	On-Demand	Anodyne	PREP	51	35
CO[C@@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170582	ED	On-Demand	Anodyne	CAPN1	23	43
CO[C@@H](Cc1ccccc1)CN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170582	ED	On-Demand	Anodyne	BRCA1	61	33
O=C(NCCCNC(=O)C1CCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852170599	FE	On-Demand	Anodyne	MTNR1A	22	42
O=C(NCCCNC(=O)C1CCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852170599	FE	On-Demand	Anodyne	TBK1	75	36
O=C(NCCCNC(=O)C1CCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852170600	FE	On-Demand	Anodyne	MTNR1A	22	42
O=C(NCCCNC(=O)C1CCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852170600	FE	On-Demand	Anodyne	TBK1	75	36
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCC(c3ccncn3)CC2)C1	ZINC000852170628	FE	On-Demand	Anodyne	GPR119	40	46
CC(C)(C)OC(=O)N1CCO[C@H](CN2CCC(c3ccncn3)CC2)C1	ZINC000852170629	FE	On-Demand	Anodyne	GPR119	40	46
COCC(COC)N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852170650	FB	On-Demand	Anodyne	AMY2	55	33
COCC(COC)N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852170651	FB	On-Demand	Anodyne	AMY2	55	33
CN(CCNC(=O)NCC1SCCS1)Cc1ccc(F)cc1	ZINC000852170654	EE	On-Demand	Anodyne	CCR3	15	40
O=C(NCc1ncccn1)NC1CCN(C2CCCC2)CC1	ZINC000852170695	DD	On-Demand	Anodyne	EPHX2	34	45
NC(=O)[C@](O)(CN1CCC(N2CCCS2(=O)=O)CC1)c1ccccc1	ZINC000852170711	FB	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@@](O)(CN1CCC(N2CCCS2(=O)=O)CC1)c1ccccc1	ZINC000852170712	FB	On-Demand	Anodyne	CYP2J2	47	33
CNS(=O)(=O)c1ccc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1	ZINC000852170713	FC	On-Demand	Anodyne	WNT3	31	40
CC[C@@H](CNC(=O)NCc1ncccn1)Oc1ccccc1Cl	ZINC000852170771	EF	On-Demand	Anodyne	PDS	57	47
CC[C@@H](CNC(=O)NCCN(C)C(=O)OC)Oc1ccccc1Cl	ZINC000852170782	FE	On-Demand	Anodyne	PDS	26	40
CC[C@@H](CNC(=O)NCc1ncccn1)Oc1ccccc1F	ZINC000852170813	DE	On-Demand	Anodyne	PDS	42	35
CC(=O)c1ccccc1NC(=O)CCCN1CCC[C@H]1C(=O)N=S(C)(C)=O	ZINC000852170830	GE	On-Demand	Anodyne	SLC6A1	44	32
COc1cccc(SCCN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852170848	FF	On-Demand	Anodyne	DRD4	40	32
O=C(NC1CCN(C2CCCC2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852170853	FD	On-Demand	Anodyne	L3MBTL3	64	37
O=C(NC1CCN(C2CCCC2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852170854	FD	On-Demand	Anodyne	L3MBTL3	64	37
O=C(NC1CCN(C2CCCC2)CC1)N1CCC(N2CCOC2=O)CC1	ZINC000852170857	FE	On-Demand	Anodyne	L3MBTL3	49	34
CS(=O)(=O)c1cccc(CN2CCC[C@H]2C(=O)N=S(C)(C)=O)c1	ZINC000852170866	FD	On-Demand	Anodyne	WNT3	33	40
CN1CCO[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852170876	DB	On-Demand	Anodyne	CYP2J2	49	36
CN1CCO[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)C[C@@H]21	ZINC000852170877	DB	On-Demand	Anodyne	CYP2J2	49	36
NC(=O)[C@@](O)(CN1CCC(c2ccncn2)CC1)c1ccccc1	ZINC000852170978	ED	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CCC(c2ccncn2)CC1)c1ccccc1	ZINC000852170979	ED	On-Demand	Anodyne	CYP2J2	44	31
CN(CCNC(=O)NNc1ccc(Cl)cn1)Cc1ccc(F)cc1	ZINC000852171022	FF	On-Demand	Reactive	KLKB1	16	44
CN(CCNC(=O)NNc1ccc(Cl)cn1)Cc1ccc(F)cc1	ZINC000852171022	FF	On-Demand	Reactive	F10	30	51
CN(CCNC(=O)NNc1ccc(Cl)cn1)Cc1ccc(F)cc1	ZINC000852171022	FF	On-Demand	Reactive	PLA2G7	41	32
CN(CCNC(=O)NCCC1SCCS1)Cc1ccc(F)cc1	ZINC000852171103	FF	On-Demand	Anodyne	CCR3	16	40
O=C(NCCCNC(=O)C1CCC1)NCC[S@@](=O)CC(F)(F)F	ZINC000852171105	FC	On-Demand	Anodyne	TBK1	58	34
O=C(NCCCNC(=O)C1CCC1)NCC[S@](=O)CC(F)(F)F	ZINC000852171106	FC	On-Demand	Anodyne	TBK1	58	34
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(C2CCCC2)CC1	ZINC000852171118	GH	On-Demand	Anodyne	SIGMAR1	23	43
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(C2CCCC2)CC1	ZINC000852171118	GH	On-Demand	Anodyne	EPHX2	20	40
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(C2CCCC2)CC1	ZINC000852171119	GH	On-Demand	Anodyne	SIGMAR1	23	43
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(C2CCCC2)CC1	ZINC000852171119	GH	On-Demand	Anodyne	EPHX2	20	40
C[C@H](C(=O)OC(C)(C)C)N(C[C@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852171179	ED	On-Demand	Anodyne	AMY2	61	35
C[C@@H](C(=O)OC(C)(C)C)N(C[C@@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852171180	ED	On-Demand	Anodyne	AMY2	61	35
C[C@@H](C(=O)OC(C)(C)C)N(C[C@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852171181	ED	On-Demand	Anodyne	AMY2	61	35
C[C@H](C(=O)OC(C)(C)C)N(C[C@@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852171182	ED	On-Demand	Anodyne	AMY2	61	35
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852171186	FC	On-Demand	Reactive	DRD4	35	50
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852171186	FC	On-Demand	Reactive	SIGMAR1	30	41
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852171187	FC	On-Demand	Reactive	DRD4	35	50
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852171187	FC	On-Demand	Reactive	SIGMAR1	30	41
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852171188	FC	On-Demand	Reactive	DRD4	35	50
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852171188	FC	On-Demand	Reactive	SIGMAR1	30	41
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852171189	FC	On-Demand	Reactive	DRD4	35	50
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852171189	FC	On-Demand	Reactive	SIGMAR1	30	41
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171191	DG	On-Demand	Anodyne	CHRM2	15	44
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171191	DG	On-Demand	Anodyne	TACR2	21	43
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171191	DG	On-Demand	Anodyne	SIGMAR1	64	46
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171191	DG	On-Demand	Anodyne	MCHR2	51	34
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171191	DG	On-Demand	Anodyne	NPFFR1	44	40
NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171192	DG	On-Demand	Anodyne	CHRM2	15	44
NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171192	DG	On-Demand	Anodyne	TACR2	21	43
NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171192	DG	On-Demand	Anodyne	SIGMAR1	64	46
NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171192	DG	On-Demand	Anodyne	MCHR2	51	34
NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccc(C3CC3)cc2)C1	ZINC000852171192	DG	On-Demand	Anodyne	NPFFR1	44	40
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1SCCS1	ZINC000852171220	GG	On-Demand	Anodyne	DRD4	39	48
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1SCCS1	ZINC000852171220	GG	On-Demand	Anodyne	ACHE	36	46
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1SCCS1	ZINC000852171220	GG	On-Demand	Anodyne	SIGMAR1	37	41
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1SCCS1	ZINC000852171221	GG	On-Demand	Anodyne	DRD4	39	48
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1SCCS1	ZINC000852171221	GG	On-Demand	Anodyne	ACHE	36	46
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCC1SCCS1	ZINC000852171221	GG	On-Demand	Anodyne	SIGMAR1	37	41
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852171222	GG	On-Demand	Anodyne	DRD4	39	48
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852171222	GG	On-Demand	Anodyne	ACHE	36	46
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852171222	GG	On-Demand	Anodyne	SIGMAR1	37	41
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852171223	GG	On-Demand	Anodyne	DRD4	39	48
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852171223	GG	On-Demand	Anodyne	ACHE	36	46
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852171223	GG	On-Demand	Anodyne	SIGMAR1	37	41
O=C(NCCCNC(=O)C1CCC1)NCC1SCCS1	ZINC000852171224	DD	On-Demand	Anodyne	TBK1	47	32
CCN1CC[C@H](N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)C1=O	ZINC000852171227	GF	On-Demand	Anodyne	CCR5	77	34
CCN1CC[C@@H](N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)C1=O	ZINC000852171228	GF	On-Demand	Anodyne	CCR5	77	34
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc(F)n2)C1	ZINC000852171237	CD	On-Demand	Anodyne	TACR2	15	41
NC(=O)[C@]1(c2ccccc2)CCN(Cc2cccc(F)n2)C1	ZINC000852171238	CD	On-Demand	Anodyne	TACR2	15	41
C[C@H]1C[C@H]1N(CCOC(F)F)c1ccccc1	ZINC000852171245	BG	On-Demand	Anodyne	AMY2	45	31
C[C@@H]1C[C@@H]1N(CCOC(F)F)c1ccccc1	ZINC000852171247	BG	On-Demand	Anodyne	AMY2	45	31
C[C@@H]1C[C@H]1N(CCOC(F)F)c1ccccc1	ZINC000852171248	BG	On-Demand	Anodyne	AMY2	45	31
CN(CC1=NS(=O)(=O)c2ccccc21)c1ccc(C(=O)NC(C)(C)C)cc1	ZINC000852171290	GF	On-Demand	Anodyne	KCNA3	33	44
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171316	FD	On-Demand	Anodyne	DRD4	38	51
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171316	FD	On-Demand	Anodyne	ACHE	31	44
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171316	FD	On-Demand	Anodyne	SIGMAR1	35	43
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171316	FD	On-Demand	Anodyne	MCHR1	19	46
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171317	FD	On-Demand	Anodyne	DRD4	38	51
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171317	FD	On-Demand	Anodyne	ACHE	31	44
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171317	FD	On-Demand	Anodyne	SIGMAR1	35	43
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171317	FD	On-Demand	Anodyne	MCHR1	19	46
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171318	FD	On-Demand	Anodyne	DRD4	38	51
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171318	FD	On-Demand	Anodyne	ACHE	31	44
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171318	FD	On-Demand	Anodyne	SIGMAR1	35	43
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171318	FD	On-Demand	Anodyne	MCHR1	19	46
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171319	FD	On-Demand	Anodyne	DRD4	38	51
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171319	FD	On-Demand	Anodyne	ACHE	31	44
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171319	FD	On-Demand	Anodyne	SIGMAR1	35	43
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171319	FD	On-Demand	Anodyne	MCHR1	19	46
CCOP(=O)(OCC)[C@@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1OC	ZINC000852171334	EE	On-Demand	Anodyne	ADAM9	67	37
CCOP(=O)(OCC)[C@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1OC	ZINC000852171335	EE	On-Demand	Anodyne	ADAM9	67	37
CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)c1cccc(Br)c1	ZINC000852171348	GH	On-Demand	Bother	COLA	77	39
CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)c1cccc(Br)c1	ZINC000852171349	GH	On-Demand	Bother	COLA	77	39
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccc(C(C)=O)cc2C1	ZINC000852171393	EF	On-Demand	Anodyne	ADAM9	51	34
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccc(C(C)=O)cc2C1	ZINC000852171394	EF	On-Demand	Anodyne	ADAM9	51	34
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCCCNC(=O)C1CCC1)C2	ZINC000852171401	GD	On-Demand	Anodyne	TBK1	61	34
C#C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CCOCC1	ZINC000852171402	FF	On-Demand	Mild	DRD4	23	45
C#C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CCOCC1	ZINC000852171402	FF	On-Demand	Mild	SIGMAR1	28	40
C#C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1	ZINC000852171403	FF	On-Demand	Mild	DRD4	23	45
C#C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1	ZINC000852171403	FF	On-Demand	Mild	SIGMAR1	28	40
C#C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1	ZINC000852171404	FF	On-Demand	Mild	DRD4	23	45
C#C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1	ZINC000852171404	FF	On-Demand	Mild	SIGMAR1	28	40
C#C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CCOCC1	ZINC000852171405	FF	On-Demand	Mild	DRD4	23	45
C#C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CCOCC1	ZINC000852171405	FF	On-Demand	Mild	SIGMAR1	28	40
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)NCCCNC(=O)C1CCC1)C2	ZINC000852171432	GD	On-Demand	Anodyne	TBK1	43	32
NC(=O)[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1	ZINC000852171447	DG	On-Demand	Anodyne	SLC6A3	16	42
NC(=O)[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1	ZINC000852171447	DG	On-Demand	Anodyne	SIGMAR1	36	41
NC(=O)[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1	ZINC000852171447	DG	On-Demand	Anodyne	CCR5	27	51
NC(=O)[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1	ZINC000852171447	DG	On-Demand	Anodyne	SLC18A3	39	41
NC(=O)[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1c1ccccc1	ZINC000852171447	DG	On-Demand	Anodyne	S1PR5	21	43
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cnon2)C1	ZINC000852171519	CC	On-Demand	Anodyne	TACR2	15	40
NC(=O)[C@]1(c2ccccc2)CCN(Cc2cnon2)C1	ZINC000852171520	CC	On-Demand	Anodyne	TACR2	15	40
CO[C@@H]1CC[C@@H](N(C)C[C@H](O)c2cccc(Br)c2)C1	ZINC000852171527	EF	On-Demand	Anodyne	AOC3	15	40
CO[C@@H]1CC[C@@H](N(C)C[C@@H](O)c2cccc(Br)c2)C1	ZINC000852171528	EF	On-Demand	Anodyne	AOC3	15	40
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171540	GG	On-Demand	Anodyne	DRD4	27	46
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171540	GG	On-Demand	Anodyne	SIGMAR1	25	41
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171540	GG	On-Demand	Anodyne	CACNA1G	25	42
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171541	GG	On-Demand	Anodyne	DRD4	27	46
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171541	GG	On-Demand	Anodyne	SIGMAR1	25	41
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171541	GG	On-Demand	Anodyne	CACNA1G	25	42
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171542	GG	On-Demand	Anodyne	DRD4	27	46
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171542	GG	On-Demand	Anodyne	SIGMAR1	25	41
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171542	GG	On-Demand	Anodyne	CACNA1G	25	42
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171543	GG	On-Demand	Anodyne	DRD4	27	46
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171543	GG	On-Demand	Anodyne	SIGMAR1	25	41
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852171543	GG	On-Demand	Anodyne	CACNA1G	25	42
O=C(NCCCNC(=O)C1CCC1)NCCC1SCCS1	ZINC000852171560	ED	On-Demand	Anodyne	TBK1	44	32
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCCNC(=O)C2CCC2)O1	ZINC000852171599	FB	On-Demand	Reactive	TBK1	41	32
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCCNC(=O)C2CCC2)O1	ZINC000852171601	FB	On-Demand	Reactive	TBK1	41	32
NC(=O)[C@]1(c2ccccc2)CCN(CC(F)(F)Br)C1	ZINC000852171631	EE	On-Demand	Anodyne	TACR2	15	42
NC(=O)[C@@]1(c2ccccc2)CCN(CC(F)(F)Br)C1	ZINC000852171632	EE	On-Demand	Anodyne	TACR2	15	42
COC(=O)[C@@H]1CN(C)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171633	EB	On-Demand	Anodyne	SLC6A1	40	32
COC(=O)[C@@H]1CN(C)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171633	EB	On-Demand	Anodyne	SLC6A3	19	45
COC(=O)[C@@H]1CN(C)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171633	EB	On-Demand	Anodyne	CYP2J2	46	33
COC(=O)[C@@H]1CN(C)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171634	EB	On-Demand	Anodyne	SLC6A1	40	32
COC(=O)[C@@H]1CN(C)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171634	EB	On-Demand	Anodyne	SLC6A3	19	45
COC(=O)[C@@H]1CN(C)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171634	EB	On-Demand	Anodyne	CYP2J2	46	33
COC(=O)[C@H]1CN(C)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171635	EB	On-Demand	Anodyne	SLC6A1	40	32
COC(=O)[C@H]1CN(C)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171635	EB	On-Demand	Anodyne	SLC6A3	19	45
COC(=O)[C@H]1CN(C)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171635	EB	On-Demand	Anodyne	CYP2J2	46	33
COC(=O)[C@H]1CN(C)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171636	EB	On-Demand	Anodyne	SLC6A1	40	32
COC(=O)[C@H]1CN(C)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171636	EB	On-Demand	Anodyne	SLC6A3	19	45
COC(=O)[C@H]1CN(C)CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852171636	EB	On-Demand	Anodyne	CYP2J2	46	33
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171664	GE	On-Demand	Reactive	DRD4	38	47
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171664	GE	On-Demand	Reactive	ACHE	23	41
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171664	GE	On-Demand	Reactive	SIGMAR1	32	41
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171664	GE	On-Demand	Reactive	MLNR	42	33
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171665	GE	On-Demand	Reactive	DRD4	38	47
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171665	GE	On-Demand	Reactive	ACHE	23	41
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171665	GE	On-Demand	Reactive	SIGMAR1	32	41
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171665	GE	On-Demand	Reactive	MLNR	42	33
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171666	GE	On-Demand	Reactive	DRD4	38	47
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171666	GE	On-Demand	Reactive	ACHE	23	41
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171666	GE	On-Demand	Reactive	SIGMAR1	32	41
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171666	GE	On-Demand	Reactive	MLNR	42	33
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171667	GE	On-Demand	Reactive	DRD4	38	47
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171667	GE	On-Demand	Reactive	ACHE	23	41
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171667	GE	On-Demand	Reactive	SIGMAR1	32	41
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852171667	GE	On-Demand	Reactive	MLNR	42	33
NC(=O)[C@@]1(c2ccccc2)CCN(CC=C(Cl)Cl)C1	ZINC000852171680	CE	On-Demand	Anodyne	TACR2	22	44
NC(=O)[C@]1(c2ccccc2)CCN(CC=C(Cl)Cl)C1	ZINC000852171681	CE	On-Demand	Anodyne	TACR2	22	44
O=C(NCCCNC(=O)C1CCC1)NNC(=O)c1cccc(F)n1	ZINC000852171695	EC	On-Demand	Reactive	TBK1	82	44
O=C(NCCCNC(=O)C1CCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852171718	GF	On-Demand	Anodyne	TBK1	74	35
O=C(NCCCNC(=O)C1CCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852171719	GF	On-Demand	Anodyne	TBK1	74	35
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852171729	GE	On-Demand	Anodyne	DRD4	38	45
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852171730	GE	On-Demand	Anodyne	DRD4	38	45
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852171731	GE	On-Demand	Anodyne	DRD4	38	45
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852171732	GE	On-Demand	Anodyne	DRD4	38	45
CCOP(=O)(OCC)[C@H](O)CN1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000852171803	FF	On-Demand	Anodyne	SIGMAR1	21	40
CCOP(=O)(OCC)[C@@H](O)CN1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000852171804	FF	On-Demand	Anodyne	SIGMAR1	21	40
CCOP(=O)(OCC)[C@@H](O)CN1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000852171805	FF	On-Demand	Anodyne	SIGMAR1	21	40
CCOP(=O)(OCC)[C@H](O)CN1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000852171806	FF	On-Demand	Anodyne	SIGMAR1	21	40
O=C(NC[C@H]1CCCN(CC2CC2)C1)NNC(=O)c1cc2ccccc2o1	ZINC000852171865	FE	On-Demand	Reactive	CCR3	61	38
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171956	FF	On-Demand	Anodyne	DRD2	16	53
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171956	FF	On-Demand	Anodyne	DRD4	41	53
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171956	FF	On-Demand	Anodyne	DRD3	15	53
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171956	FF	On-Demand	Anodyne	SIGMAR1	38	43
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000852171956	FF	On-Demand	Anodyne	MCHR1	19	49
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171960	FF	On-Demand	Anodyne	DRD2	16	53
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171960	FF	On-Demand	Anodyne	DRD4	41	53
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171960	FF	On-Demand	Anodyne	DRD3	15	53
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171960	FF	On-Demand	Anodyne	SIGMAR1	38	43
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000852171960	FF	On-Demand	Anodyne	MCHR1	19	49
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	DRD4	22	46
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	ACHE	20	46
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	HRH1	17	41
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	DRD3	15	55
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	HTR4	59	40
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	TACR2	19	42
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	SIGMAR1	35	41
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	CCR3	45	38
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1cc2ccccc2o1	ZINC000852172000	FE	On-Demand	Reactive	CACNA1I	62	38
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccsc2)C1	ZINC000852172036	CE	On-Demand	Anodyne	SIGMAR1	25	44
NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ccsc2)C1	ZINC000852172036	CE	On-Demand	Anodyne	NPFFR1	40	39
NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccsc2)C1	ZINC000852172037	CE	On-Demand	Anodyne	SIGMAR1	25	44
NC(=O)[C@]1(c2ccccc2)CCN(Cc2ccsc2)C1	ZINC000852172037	CE	On-Demand	Anodyne	NPFFR1	40	39
Cn1ncc(CN2CC[C@@](C(N)=O)(c3ccccc3)C2)n1	ZINC000852172045	CC	On-Demand	Anodyne	TACR2	23	41
Cn1ncc(CN2CC[C@](C(N)=O)(c3ccccc3)C2)n1	ZINC000852172046	CC	On-Demand	Anodyne	TACR2	23	41
C[C@@H]1CCN(C(=O)NCCCNC(=O)C2CCC2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852172051	GD	On-Demand	Anodyne	TBK1	55	34
O=C(NCCCNC(=O)C1CCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852172104	GD	On-Demand	Clean	IKBKE	32	42
O=C(NCCCNC(=O)C1CCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852172104	GD	On-Demand	Clean	MARK3	22	42
O=C(NCCCNC(=O)C1CCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852172104	GD	On-Demand	Clean	TBK1	77	42
NC(=O)[C@@]1(c2ccccc2)CCN(CCn2cnc(Br)n2)C1	ZINC000852172121	FD	On-Demand	Anodyne	TACR2	18	41
NC(=O)[C@]1(c2ccccc2)CCN(CCn2cnc(Br)n2)C1	ZINC000852172122	FD	On-Demand	Anodyne	TACR2	18	41
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852172133	DF	On-Demand	Anodyne	DRD2	15	51
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852172133	DF	On-Demand	Anodyne	DRD4	49	51
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852172133	DF	On-Demand	Anodyne	ACHE	34	42
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852172133	DF	On-Demand	Anodyne	SIGMAR1	48	44
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852172135	DF	On-Demand	Anodyne	DRD2	15	51
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852172135	DF	On-Demand	Anodyne	DRD4	49	51
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852172135	DF	On-Demand	Anodyne	ACHE	34	42
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852172135	DF	On-Demand	Anodyne	SIGMAR1	48	44
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852172137	DF	On-Demand	Anodyne	DRD2	15	51
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852172137	DF	On-Demand	Anodyne	DRD4	49	51
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852172137	DF	On-Demand	Anodyne	ACHE	34	42
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852172137	DF	On-Demand	Anodyne	SIGMAR1	48	44
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852172139	DF	On-Demand	Anodyne	DRD2	15	51
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852172139	DF	On-Demand	Anodyne	DRD4	49	51
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852172139	DF	On-Demand	Anodyne	ACHE	34	42
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852172139	DF	On-Demand	Anodyne	SIGMAR1	48	44
C#CCOCCN1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000852172154	CC	On-Demand	Mild	ADRA1B	15	43
C#CCOCCN1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000852172154	CC	On-Demand	Mild	TACR2	19	40
C#CCOCCN1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000852172156	CC	On-Demand	Mild	ADRA1B	15	43
C#CCOCCN1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000852172156	CC	On-Demand	Mild	TACR2	19	40
CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852172188	GG	On-Demand	Anodyne	SLC18A3	28	41
CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1	ZINC000852172196	GG	On-Demand	Anodyne	SLC18A3	28	41
CCOP(=O)(OCC)[C@@H](O)CN1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1	ZINC000852172198	FD	On-Demand	Anodyne	ADAM9	42	32
CCOP(=O)(OCC)[C@H](O)CN1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1	ZINC000852172200	FD	On-Demand	Anodyne	ADAM9	42	32
COC[C@@H](CN(C)C[C@H](O)c1cccc(Br)c1)OC	ZINC000852172265	EE	On-Demand	Anodyne	AOC3	15	43
COC[C@@H](CN(C)C[C@@H](O)c1cccc(Br)c1)OC	ZINC000852172268	EE	On-Demand	Anodyne	AOC3	15	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)C1CCC1	ZINC000852172275	DC	On-Demand	Anodyne	TBK1	42	34
C[C@@H]1CN(Cc2cnon2)CCN1Cc1ccccc1	ZINC000852172293	CD	On-Demand	Anodyne	SIGMAR1	17	44
C[C@H]1CN(Cc2cnon2)CCN1Cc1ccccc1	ZINC000852172295	CD	On-Demand	Anodyne	SIGMAR1	17	44
O=C(NCCCNC(=O)C1CCC1)NNc1ccc(Cl)cn1	ZINC000852172351	ED	On-Demand	Reactive	TBK1	84	37
Cn1cnc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)c1	ZINC000852172365	FG	On-Demand	Anodyne	CCR5	74	34
Cc1nc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)c(C)o1	ZINC000852172382	GH	On-Demand	Anodyne	CCR5	56	32
Cc1nc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)c(C)o1	ZINC000852172382	GH	On-Demand	Anodyne	PDE8B	59	34
O=C(NCCCNC(=O)C1CCC1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852172394	GD	On-Demand	Anodyne	TBK1	72	35
O=C(NCCCNC(=O)C1CCC1)NCc1ncccn1	ZINC000852172395	CC	On-Demand	Anodyne	TBK1	85	39
NC(=O)[C@@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852172493	CD	On-Demand	Anodyne	TACR2	20	41
NC(=O)[C@]1(c2ccccc2)CCN(CCOC(F)F)C1	ZINC000852172495	CD	On-Demand	Anodyne	TACR2	20	41
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172527	FG	On-Demand	Reactive	DRD4	48	50
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172527	FG	On-Demand	Reactive	ACHE	25	40
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172527	FG	On-Demand	Reactive	F10	20	41
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172527	FG	On-Demand	Reactive	SIGMAR1	35	43
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172527	FG	On-Demand	Reactive	MCHR1	19	42
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172529	FG	On-Demand	Reactive	DRD4	48	50
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172529	FG	On-Demand	Reactive	ACHE	25	40
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172529	FG	On-Demand	Reactive	F10	20	41
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172529	FG	On-Demand	Reactive	SIGMAR1	35	43
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172529	FG	On-Demand	Reactive	MCHR1	19	42
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172530	FG	On-Demand	Reactive	DRD4	48	50
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172530	FG	On-Demand	Reactive	ACHE	25	40
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172530	FG	On-Demand	Reactive	F10	20	41
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172530	FG	On-Demand	Reactive	SIGMAR1	35	43
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172530	FG	On-Demand	Reactive	MCHR1	19	42
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172532	FG	On-Demand	Reactive	DRD4	48	50
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172532	FG	On-Demand	Reactive	ACHE	25	40
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172532	FG	On-Demand	Reactive	F10	20	41
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172532	FG	On-Demand	Reactive	SIGMAR1	35	43
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852172532	FG	On-Demand	Reactive	MCHR1	19	42
C#C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1)C1CCOCC1	ZINC000852172571	GH	On-Demand	Mild	PGA5	42	32
C#C[C@H](NC(=O)NC[C@H](Cc1ccccc1)c1ccccc1)C1CCOCC1	ZINC000852172573	GH	On-Demand	Mild	PGA5	42	32
C#C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1)C1CCOCC1	ZINC000852172574	GH	On-Demand	Mild	PGA5	42	32
C#C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)c1ccccc1)C1CCOCC1	ZINC000852172579	GH	On-Demand	Mild	PGA5	42	32
O=C(NCCCNC(=O)C1CCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852172597	FD	On-Demand	Anodyne	TBK1	59	36
O=C(NCCCNC(=O)C1CCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852172600	FD	On-Demand	Anodyne	TBK1	59	36
C#CCOCCN1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000852172606	CD	On-Demand	Mild	SLC6A3	21	40
C#CCOCCN1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000852172606	CD	On-Demand	Mild	SIGMAR1	29	43
C#CCOCCN1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000852172608	CD	On-Demand	Mild	SLC6A3	21	40
C#CCOCCN1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000852172608	CD	On-Demand	Mild	SIGMAR1	29	43
C[C@@H]1CN(C[C@H](O)c2ccccn2)CCN1Cc1ccccc1	ZINC000852172619	DE	On-Demand	Anodyne	SIGMAR1	17	42
C[C@@H]1CN(C[C@@H](O)c2ccccn2)CCN1Cc1ccccc1	ZINC000852172625	DE	On-Demand	Anodyne	SIGMAR1	17	42
NC(=O)[C@](O)(CN1CC[C@@](C(N)=O)(c2ccccc2)C1)c1ccccc1	ZINC000852172641	FC	On-Demand	Anodyne	MLYCD	15	40
NC(=O)[C@]1(c2ccccc2)CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852172642	FC	On-Demand	Anodyne	MLYCD	15	40
NC(=O)[C@@](O)(CN1CC[C@@](C(N)=O)(c2ccccc2)C1)c1ccccc1	ZINC000852172643	FC	On-Demand	Anodyne	MLYCD	15	40
NC(=O)[C@@](O)(CN1CC[C@](C(N)=O)(c2ccccc2)C1)c1ccccc1	ZINC000852172644	FC	On-Demand	Anodyne	MLYCD	15	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)c3ccncc3)C2)cc1	ZINC000852172682	FF	On-Demand	Clean	MTNR1A	15	43
O=C(NCCCNC(=O)C1CCC1)NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000852172770	GB	On-Demand	Reactive	TBK1	53	33
Cc1nc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cccc(F)c3)C2)co1	ZINC000852172773	GH	On-Demand	Anodyne	CCR5	75	34
O=C(NCCCNC(=O)N1CCn2ncc(Br)c2C1)C1CCC1	ZINC000852172796	GD	On-Demand	Anodyne	TBK1	83	39
O=C(NCc1cccnc1N1CCCC1)N[C@H]1CCCc2[nH]ccc21	ZINC000852172804	EF	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@H]1CCCc2[nH]ccc21	ZINC000852172804	EF	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CCCc2[nH]ccc21	ZINC000852172806	EF	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CCCc2[nH]ccc21	ZINC000852172806	EF	On-Demand	Anodyne	SCN10A	19	44
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2c(F)cccc2F)CC1	ZINC000852172809	GG	On-Demand	Anodyne	GPR119	30	46
COC[C@@H](CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1)OC	ZINC000852172816	GF	On-Demand	Anodyne	CCR5	47	35
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2cnccn2)CC1	ZINC000852172821	FC	On-Demand	Anodyne	GPR119	30	45
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2ccc(F)cn2)CC1	ZINC000852172839	FD	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2ccc(F)cn2)CC1	ZINC000852172841	FD	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCOCC1	ZINC000852172859	GD	On-Demand	Anodyne	AMY2	56	33
CC(C)(C)OC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCOCC1	ZINC000852172862	GD	On-Demand	Anodyne	AMY2	56	33
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1SCCS1	ZINC000852172879	FG	On-Demand	Anodyne	DRD4	42	49
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1SCCS1	ZINC000852172879	FG	On-Demand	Anodyne	ACHE	31	40
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1SCCS1	ZINC000852172879	FG	On-Demand	Anodyne	SIGMAR1	41	43
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1SCCS1	ZINC000852172881	FG	On-Demand	Anodyne	DRD4	42	49
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1SCCS1	ZINC000852172881	FG	On-Demand	Anodyne	ACHE	31	40
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC1SCCS1	ZINC000852172881	FG	On-Demand	Anodyne	SIGMAR1	41	43
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1SCCS1	ZINC000852172883	FG	On-Demand	Anodyne	DRD4	42	49
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1SCCS1	ZINC000852172883	FG	On-Demand	Anodyne	ACHE	31	40
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1SCCS1	ZINC000852172883	FG	On-Demand	Anodyne	SIGMAR1	41	43
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1SCCS1	ZINC000852172885	FG	On-Demand	Anodyne	DRD4	42	49
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1SCCS1	ZINC000852172885	FG	On-Demand	Anodyne	ACHE	31	40
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1SCCS1	ZINC000852172885	FG	On-Demand	Anodyne	SIGMAR1	41	43
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccncc2F)CC1	ZINC000852172888	EE	On-Demand	Anodyne	GPR119	43	54
CC(C)(C)OC(=O)N1CCC(CO)(NCCC2CCC2)CC1	ZINC000852172904	DF	On-Demand	Anodyne	GPR119	31	41
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCN1Cc1ccccc1	ZINC000852172965	FD	On-Demand	Anodyne	CHRM3	30	40
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCN1Cc1ccccc1	ZINC000852172965	FD	On-Demand	Anodyne	SIGMAR1	34	42
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCN1Cc1ccccc1	ZINC000852172966	FD	On-Demand	Anodyne	CHRM3	30	40
C[C@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)CCN1Cc1ccccc1	ZINC000852172966	FD	On-Demand	Anodyne	SIGMAR1	34	42
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CCN1Cc1ccccc1	ZINC000852172967	FD	On-Demand	Anodyne	CHRM3	30	40
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)CCN1Cc1ccccc1	ZINC000852172967	FD	On-Demand	Anodyne	SIGMAR1	34	42
CCOP(=O)(OCC)[C@H](O)CN(C)[C@H]1CCCC[C@H]1c1ccccc1	ZINC000852173029	FI	On-Demand	Anodyne	AMY2	45	31
CCOP(=O)(OCC)[C@H](O)CN(C)[C@@H]1CCCC[C@H]1c1ccccc1	ZINC000852173030	FI	On-Demand	Anodyne	AMY2	45	31
CCOP(=O)(OCC)[C@H](O)CN(C)[C@@H]1CCCC[C@@H]1c1ccccc1	ZINC000852173031	FI	On-Demand	Anodyne	AMY2	45	31
CCOP(=O)(OCC)[C@H](O)CN(C)[C@H]1CCCC[C@@H]1c1ccccc1	ZINC000852173032	FI	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccncc2C#N)CC1	ZINC000852173103	ED	On-Demand	Mild	GPR119	39	56
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2OC2CC2)CC1	ZINC000852173107	GG	On-Demand	Anodyne	GPR119	37	43
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCCc2[nH]ccc21	ZINC000852173128	FF	On-Demand	Anodyne	ACHE	15	41
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCCc2[nH]ccc21	ZINC000852173131	FF	On-Demand	Anodyne	ACHE	15	41
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173239	EE	On-Demand	Anodyne	DRD2	16	49
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173239	EE	On-Demand	Anodyne	DRD4	49	49
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173239	EE	On-Demand	Anodyne	ACHE	36	44
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173239	EE	On-Demand	Anodyne	DRD3	15	49
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173239	EE	On-Demand	Anodyne	SIGMAR1	43	44
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173239	EE	On-Demand	Anodyne	MCHR1	19	45
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173242	EE	On-Demand	Anodyne	DRD2	16	49
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173242	EE	On-Demand	Anodyne	DRD4	49	49
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173242	EE	On-Demand	Anodyne	ACHE	36	44
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173242	EE	On-Demand	Anodyne	DRD3	15	49
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173242	EE	On-Demand	Anodyne	SIGMAR1	43	44
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852173242	EE	On-Demand	Anodyne	MCHR1	19	45
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173244	EE	On-Demand	Anodyne	DRD2	16	49
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173244	EE	On-Demand	Anodyne	DRD4	49	49
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173244	EE	On-Demand	Anodyne	ACHE	36	44
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173244	EE	On-Demand	Anodyne	DRD3	15	49
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173244	EE	On-Demand	Anodyne	SIGMAR1	43	44
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173244	EE	On-Demand	Anodyne	MCHR1	19	45
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2c(F)cccc2F)CC1	ZINC000852173245	GE	On-Demand	Anodyne	GPR119	31	43
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173247	EE	On-Demand	Anodyne	DRD2	16	49
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173247	EE	On-Demand	Anodyne	DRD4	49	49
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173247	EE	On-Demand	Anodyne	ACHE	36	44
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173247	EE	On-Demand	Anodyne	DRD3	15	49
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173247	EE	On-Demand	Anodyne	SIGMAR1	43	44
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852173247	EE	On-Demand	Anodyne	MCHR1	19	45
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852173249	GE	On-Demand	Anodyne	DRD4	28	46
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852173252	GE	On-Demand	Anodyne	DRD4	28	46
C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852173255	GE	On-Demand	Anodyne	DRD4	28	46
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852173258	GE	On-Demand	Anodyne	DRD4	28	46
O=C(NCCCNC(=O)N1CCC(N2CCOC2=O)CC1)C1CCC1	ZINC000852173260	FC	On-Demand	Anodyne	TBK1	51	33
COC(=O)[C@@H]1CN(C)CCN(Cc2cccc(F)n2)C1	ZINC000852173288	CC	On-Demand	Anodyne	PDE8B	49	35
COC(=O)[C@H]1CN(C)CCN(Cc2cccc(F)n2)C1	ZINC000852173291	CC	On-Demand	Anodyne	PDE8B	49	35
CC(=O)c1ccc2c(c1)CN(C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2	ZINC000852173302	FF	On-Demand	Anodyne	GPR119	24	41
CC(=O)c1ccc2c(c1)CN(C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2	ZINC000852173305	FF	On-Demand	Anodyne	GPR119	24	41
O=C1C[C@]2(CCN(C[C@H](O)c3ccccn3)C2)Oc2ccccc21	ZINC000852173307	DE	On-Demand	Anodyne	SCD	19	45
O=C1C[C@@]2(CCN(C[C@@H](O)c3ccccn3)C2)Oc2ccccc21	ZINC000852173312	DE	On-Demand	Anodyne	SCD	19	45
O=C1C[C@]2(CCN(C[C@@H](O)c3ccccn3)C2)Oc2ccccc21	ZINC000852173316	DE	On-Demand	Anodyne	SCD	19	45
O=C1C[C@@]2(CCN(C[C@H](O)c3ccccn3)C2)Oc2ccccc21	ZINC000852173319	DE	On-Demand	Anodyne	SCD	19	45
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852173367	FF	On-Demand	Anodyne	DRD4	36	47
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852173367	FF	On-Demand	Anodyne	SIGMAR1	43	42
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852173368	FF	On-Demand	Anodyne	DRD4	36	47
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852173368	FF	On-Demand	Anodyne	SIGMAR1	43	42
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852173369	FF	On-Demand	Anodyne	DRD4	36	47
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852173369	FF	On-Demand	Anodyne	SIGMAR1	43	42
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852173370	FF	On-Demand	Anodyne	DRD4	36	47
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852173370	FF	On-Demand	Anodyne	SIGMAR1	43	42
NC(=O)[C@]1(c2ccccc2)CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852173397	FD	On-Demand	Anodyne	TACR2	20	41
NC(=O)[C@@]1(c2ccccc2)CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852173398	FD	On-Demand	Anodyne	TACR2	20	41
NC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccccc1	ZINC000852173410	CD	On-Demand	Anodyne	PDE8B	41	33
C[C@H]1CN(Cc2cccc(F)n2)CCN1Cc1ccccc1	ZINC000852173438	CF	On-Demand	Anodyne	SIGMAR1	21	44
C[C@@H]1CN(Cc2cccc(F)n2)CCN1Cc1ccccc1	ZINC000852173439	CF	On-Demand	Anodyne	SIGMAR1	21	44
CS(=O)(=O)C1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCCCC1	ZINC000852173461	GE	On-Demand	Reactive	HCN1	49	30
CS(=O)(=O)C1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCCCC1	ZINC000852173461	GE	On-Demand	Reactive	HCN4	46	30
N#CC[C@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1	ZINC000852173514	EE	On-Demand	Reactive	PREP	20	40
N#CC[C@@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1	ZINC000852173516	EE	On-Demand	Reactive	PREP	20	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(-c3ccccn3)nc2)CC1	ZINC000852173517	GF	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCC[C@H]2CCOC2)CC1	ZINC000852173545	EE	On-Demand	Anodyne	GPR119	19	43
CC(C)(C)OC(=O)N1CCC(CO)(NCCC[C@@H]2CCOC2)CC1	ZINC000852173546	EE	On-Demand	Anodyne	GPR119	19	43
Cc1ncc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cn1	ZINC000852173557	ED	On-Demand	Anodyne	GPR119	40	39
O=C(NNC(=O)c1cc2ccccc2o1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852173576	FF	On-Demand	Reactive	SLC6A5	17	41
O=C(NNC(=O)c1cc2ccccc2o1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852173578	FF	On-Demand	Reactive	SLC6A5	17	41
O=C(NCCCC1CCC1)NNC(=O)c1cc2ccccc2o1	ZINC000852173587	DF	On-Demand	Reactive	CXCR4	43	33
CC(C)(C)OC(=O)N1CCC(CO)(NCCCC2CCC2)CC1	ZINC000852173608	EF	On-Demand	Anodyne	GPR119	27	45
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1	ZINC000852173610	GC	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H]2CCN(S(C)(=O)=O)C2)CC1	ZINC000852173611	GC	On-Demand	Anodyne	GPR119	33	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cc2ccccc2o1	ZINC000852173661	GF	On-Demand	Reactive	SCN2A	19	45
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cc2ccccc2o1	ZINC000852173661	GF	On-Demand	Reactive	SCN10A	23	45
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2c(F)cccc2F)CC1	ZINC000852173735	FF	On-Demand	Anodyne	GPR119	32	48
Cc1ccc(F)c(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852173736	FF	On-Demand	Anodyne	GPR119	39	47
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2[N+](=O)[O-])CC1	ZINC000852173737	FE	On-Demand	Bother	COLA	107	36
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2ccc(C#N)cc2)CC1	ZINC000852173740	FE	On-Demand	Mild	GPR119	28	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)Cc2ccc(F)cc2)CC1	ZINC000852173744	GE	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)Cc2ccc(F)cc2)CC1	ZINC000852173745	GE	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000852173761	GF	On-Demand	Bother	GPR119	27	44
CC(C)(C)OC(=O)N1CCC(CO)(NCCC2CCOCC2)CC1	ZINC000852173769	EE	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H]2Cc3ccccc32)CC1	ZINC000852173770	EF	On-Demand	Anodyne	GHRHR	51	31
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H]2Cc3ccccc32)CC1	ZINC000852173771	EF	On-Demand	Anodyne	GHRHR	51	31
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(F)c2Cl)CC1	ZINC000852173776	FG	On-Demand	Anodyne	GPR119	28	46
COc1cccc(SCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852173802	GG	On-Demand	Anodyne	DRD4	41	32
COc1cccc(SCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852173802	GG	On-Demand	Anodyne	MTNR1A	16	48
COc1cccc(SCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852173802	GG	On-Demand	Anodyne	MTNR1B	20	48
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cnc3ccccc3n2)CC1	ZINC000852173803	FE	On-Demand	Anodyne	ADAM17	16	47
C[C@@H]1CN(C[C@@H]2COC(C)(C)O2)CCN1Cc1ccccc1	ZINC000852173825	DE	On-Demand	Anodyne	SIGMAR1	29	40
C[C@H]1CN(C[C@H]2COC(C)(C)O2)CCN1Cc1ccccc1	ZINC000852173826	DE	On-Demand	Anodyne	SIGMAR1	29	40
C[C@@H]1CN(C[C@H]2COC(C)(C)O2)CCN1Cc1ccccc1	ZINC000852173827	DE	On-Demand	Anodyne	SIGMAR1	29	40
NC(=O)[C@@](O)(CN[C@H](c1ccccc1)C1(CO)CCCCC1)c1ccccc1	ZINC000852173871	GF	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@@](O)(CN[C@@H](c1ccccc1)C1(CO)CCCCC1)c1ccccc1	ZINC000852173872	GF	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@](O)(CN[C@H](c1ccccc1)C1(CO)CCCCC1)c1ccccc1	ZINC000852173873	GF	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@](O)(CN[C@@H](c1ccccc1)C1(CO)CCCCC1)c1ccccc1	ZINC000852173874	GF	On-Demand	Anodyne	AMY2	44	30
C[C@@H]1CN(C[C@H]2CCC(=O)O2)CCN1Cc1ccccc1	ZINC000852173888	CD	On-Demand	Anodyne	SIGMAR1	35	48
C[C@@H]1CN(C[C@@H]2CCC(=O)O2)CCN1Cc1ccccc1	ZINC000852173891	CD	On-Demand	Anodyne	SIGMAR1	35	48
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)c1cc2ccccc2o1	ZINC000852173916	CE	On-Demand	Reactive	CHRNA7	15	45
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)c1cc2ccccc2o1	ZINC000852173917	CE	On-Demand	Reactive	CHRNA7	15	45
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)c1cc2ccccc2o1	ZINC000852173918	CE	On-Demand	Reactive	CHRNA7	15	45
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)c1cc2ccccc2o1	ZINC000852173919	CE	On-Demand	Reactive	CHRNA7	15	45
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(S(C)(=O)=O)o2)CC1	ZINC000852173963	GD	On-Demand	Anodyne	GPR119	45	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCOCc2ccccc2)CC1	ZINC000852173990	FF	On-Demand	Anodyne	GHRHR	50	37
CC(C)(C)OC(=O)N1CCC(CO)(NCCOCc2ccccc2)CC1	ZINC000852173990	FF	On-Demand	Anodyne	GHSR	32	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCOCc2ccccc2)CC1	ZINC000852173990	FF	On-Demand	Anodyne	Q6PRC7_IXORI	20	41
CC(C)(C)OC(=O)N1CCC(CO)(NCCOCc2ccccc2)CC1	ZINC000852173990	FF	On-Demand	Anodyne	SLC12A5	54	36
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cnc3ccccc3c2)CC1	ZINC000852174009	FG	On-Demand	Anodyne	ADAM17	17	46
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2ccccn2)CC1	ZINC000852174041	FD	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2ccccn2)CC1	ZINC000852174042	FD	On-Demand	Anodyne	GPR119	30	44
CCCOc1cccc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852174062	GG	On-Demand	Anodyne	HRH2	25	41
CCCOc1cccc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852174062	GG	On-Demand	Anodyne	PDS	44	32
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Cl)nc2)CC1	ZINC000852174075	FF	On-Demand	Anodyne	GPR119	42	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2Cl)CC1	ZINC000852174081	FG	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2C(F)(F)F)CC1	ZINC000852174084	GH	On-Demand	Anodyne	RBP4	44	32
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2C(F)(F)F)CC1	ZINC000852174084	GH	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2C(F)(F)F)CC1	ZINC000852174084	GH	On-Demand	Anodyne	SFRP1	48	42
CC(C)(C)OC(=O)N1CCC(CO)(NCC[C@H]2CCc3ccccc32)CC1	ZINC000852174089	FG	On-Demand	Anodyne	GHRHR	55	31
CC(C)(C)OC(=O)N1CCC(CO)(NCC[C@H]2CCc3ccccc32)CC1	ZINC000852174089	FG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC(CO)(NCC[C@@H]2CCc3ccccc32)CC1	ZINC000852174090	FG	On-Demand	Anodyne	GHRHR	55	31
CC(C)(C)OC(=O)N1CCC(CO)(NCC[C@@H]2CCc3ccccc32)CC1	ZINC000852174090	FG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)Cc2ccccc2)CC1	ZINC000852174098	FD	On-Demand	Anodyne	GHRHR	60	34
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)Cc2ccccc2)CC1	ZINC000852174098	FD	On-Demand	Anodyne	PGC	50	33
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)Cc2ccccc2)CC1	ZINC000852174098	FD	On-Demand	Anodyne	TIMP3	47	32
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)Cc2ccccc2)CC1	ZINC000852174098	FD	On-Demand	Anodyne	FPR1	42	35
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)Cc2ccccc2)CC1	ZINC000852174098	FD	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)Cc2ccccc2)CC1	ZINC000852174098	FD	On-Demand	Anodyne	Q6PRC7_IXORI	18	41
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)Cc2ccccc2)CC1	ZINC000852174099	FD	On-Demand	Anodyne	GHRHR	60	34
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)Cc2ccccc2)CC1	ZINC000852174099	FD	On-Demand	Anodyne	PGC	50	33
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)Cc2ccccc2)CC1	ZINC000852174099	FD	On-Demand	Anodyne	TIMP3	47	32
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)Cc2ccccc2)CC1	ZINC000852174099	FD	On-Demand	Anodyne	FPR1	42	35
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)Cc2ccccc2)CC1	ZINC000852174099	FD	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)Cc2ccccc2)CC1	ZINC000852174099	FD	On-Demand	Anodyne	Q6PRC7_IXORI	18	41
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2cccnc2)CC1	ZINC000852174119	ED	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(C(F)F)c2)CC1	ZINC000852174134	FG	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2cccnc2)CC1	ZINC000852174147	FD	On-Demand	Anodyne	ADRB1	15	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2cccnc2)CC1	ZINC000852174147	FD	On-Demand	Anodyne	ADRB3	51	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2cccnc2)CC1	ZINC000852174148	FD	On-Demand	Anodyne	ADRB1	15	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2cccnc2)CC1	ZINC000852174148	FD	On-Demand	Anodyne	ADRB3	51	43
CC(C)(C)OC(=O)N1CCC(CO)(NCCSCc2ccccc2)CC1	ZINC000852174149	GG	On-Demand	Anodyne	GHRHR	57	33
CC(C)c1cccc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852174175	FH	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2ccncc2)CC1	ZINC000852174184	ED	On-Demand	Anodyne	GPR119	34	47
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Cl)cc2Cl)CC1	ZINC000852174192	GH	On-Demand	Anodyne	MC4R	53	39
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Cl)cc2Cl)CC1	ZINC000852174192	GH	On-Demand	Anodyne	P2RX7	34	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Cl)cc2Cl)CC1	ZINC000852174192	GH	On-Demand	Anodyne	EPHX2	21	46
CC(C)(C)OC(=O)N1CCC(CO)(NCCCC2CCOCC2)CC1	ZINC000852174200	FF	On-Demand	Anodyne	GPR119	22	45
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccnc2Cl)CC1	ZINC000852174238	FF	On-Demand	Anodyne	GPR119	35	44
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Br)cc2)CC1	ZINC000852174245	GG	On-Demand	Anodyne	GPR119	38	42
CC(C)(C)OC(=O)N1CCC(CO)(NCC[C@H](O)c2ccccc2)CC1	ZINC000852174263	FE	On-Demand	Anodyne	GHRHR	50	31
CC(C)(C)OC(=O)N1CCC(CO)(NCC[C@@H](O)c2ccccc2)CC1	ZINC000852174264	FE	On-Demand	Anodyne	GHRHR	50	31
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(CC#N)cc2)CC1	ZINC000852174267	FF	On-Demand	Mild	GPR119	31	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000852174273	GD	On-Demand	Anodyne	MMP13	16	47
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000852174273	GD	On-Demand	Anodyne	TGM2	18	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000852174273	GD	On-Demand	Anodyne	F13A1	26	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000852174273	GD	On-Demand	Anodyne	GPR119	64	52
CN(CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1	ZINC000852174277	GE	On-Demand	Anodyne	GHRHR	56	34
CN(CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1	ZINC000852174277	GE	On-Demand	Anodyne	Q6PRC7_IXORI	24	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ncccn2)CC1	ZINC000852174283	DD	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2ccccc2)CC1	ZINC000852174309	FE	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2ccccc2)CC1	ZINC000852174310	FE	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(S(C)(=O)=O)c2)CC1	ZINC000852174315	GD	On-Demand	Anodyne	GPR119	54	49
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)Cc2cccc(Cl)c2)CC1	ZINC000852174316	GF	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)Cc2cccc(Cl)c2)CC1	ZINC000852174317	GF	On-Demand	Anodyne	GPR119	21	40
COc1ncccc1CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852174338	FD	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2ccccc2F)CC1	ZINC000852174344	FF	On-Demand	Anodyne	GPR119	29	49
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)c(Cl)c2)CC1	ZINC000852174350	FG	On-Demand	Anodyne	CACNA1H	42	33
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)c(Cl)c2)CC1	ZINC000852174350	FG	On-Demand	Anodyne	GPR119	36	40
C[C@H](CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1	ZINC000852174385	GG	On-Demand	Anodyne	GHRHR	58	35
C[C@H](CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1	ZINC000852174385	GG	On-Demand	Anodyne	GPR119	26	42
C[C@H](CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1	ZINC000852174385	GG	On-Demand	Anodyne	Q6PRC7_IXORI	34	43
C[C@@H](CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1	ZINC000852174386	GG	On-Demand	Anodyne	GHRHR	58	35
C[C@@H](CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1	ZINC000852174386	GG	On-Demand	Anodyne	GPR119	26	42
C[C@@H](CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1	ZINC000852174386	GG	On-Demand	Anodyne	Q6PRC7_IXORI	34	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)CCc2ccccc2)CC1	ZINC000852174390	GE	On-Demand	Anodyne	GHRHR	62	37
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)CCc2ccccc2)CC1	ZINC000852174390	GE	On-Demand	Anodyne	MMP3	15	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)CCc2ccccc2)CC1	ZINC000852174390	GE	On-Demand	Anodyne	ABCB1	30	44
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)CCc2ccccc2)CC1	ZINC000852174390	GE	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)CCc2ccccc2)CC1	ZINC000852174390	GE	On-Demand	Anodyne	Q6PRC7_IXORI	24	42
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)CCc2ccccc2)CC1	ZINC000852174391	GE	On-Demand	Anodyne	GHRHR	62	37
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)CCc2ccccc2)CC1	ZINC000852174391	GE	On-Demand	Anodyne	MMP3	15	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)CCc2ccccc2)CC1	ZINC000852174391	GE	On-Demand	Anodyne	ABCB1	30	44
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)CCc2ccccc2)CC1	ZINC000852174391	GE	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)CCc2ccccc2)CC1	ZINC000852174391	GE	On-Demand	Anodyne	Q6PRC7_IXORI	24	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCCn2ccnc2)CC1	ZINC000852174430	ED	On-Demand	Anodyne	TBXAS1	33	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCC(=O)OCc2ccccc2)CC1	ZINC000852174447	GE	On-Demand	Anodyne	GHRHR	60	36
CC(C)(C)OC(=O)N1CCC(CO)(NCCC(=O)OCc2ccccc2)CC1	ZINC000852174447	GE	On-Demand	Anodyne	SLC12A5	67	38
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(Cl)ccc2F)CC1	ZINC000852174462	FG	On-Demand	Anodyne	CACNA1H	43	33
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(Cl)ccc2F)CC1	ZINC000852174462	FG	On-Demand	Anodyne	GPR119	40	48
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cnc(-c3ccccc3)nc2)CC1	ZINC000852174501	GF	On-Demand	Anodyne	GPR119	41	38
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Cl)cc2F)CC1	ZINC000852174517	FG	On-Demand	Anodyne	GPR119	34	43
Cc1ccncc1CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852174520	EE	On-Demand	Anodyne	GPR119	31	46
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(C#N)c2F)CC1	ZINC000852174613	FF	On-Demand	Mild	GPR119	29	43
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ncccc2C(F)(F)F)CC1	ZINC000852174631	GF	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCOC(=O)Cc2ccccc2)CC1	ZINC000852174632	GE	On-Demand	Anodyne	GHRHR	57	35
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2C#N)CC1	ZINC000852174635	EE	On-Demand	Mild	GPR119	30	41
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2ccccc2)CC1	ZINC000852174646	EF	On-Demand	Anodyne	GHRHR	62	36
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(F)ccc2Cl)CC1	ZINC000852174660	FG	On-Demand	Anodyne	GPR119	25	46
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccncc2Cl)CC1	ZINC000852174661	FF	On-Demand	Anodyne	GPR119	31	43
Cc1cc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N	ZINC000852174663	FF	On-Demand	Mild	GPR119	29	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc3c(c2)CCC3)CC1	ZINC000852174705	FG	On-Demand	Anodyne	GPR119	34	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccnc(C#N)c2)CC1	ZINC000852174746	ED	On-Demand	Mild	GPR119	35	43
CC(C)(C)OC(=O)N1CCC(CO)(NCc2c(F)cccc2F)CC1	ZINC000852174750	FF	On-Demand	Anodyne	GPR119	37	49
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000852174762	GD	On-Demand	Bother	CACNA1D	43	33
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000852174763	GD	On-Demand	Bother	CACNA1D	43	33
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(Cl)c2F)CC1	ZINC000852174782	FG	On-Demand	Anodyne	P2RX7	16	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(Cl)c2F)CC1	ZINC000852174782	FG	On-Demand	Anodyne	GPR119	26	44
O=C(NC[C@H]1CCCN(CC2CC2)C1)N[C@@H]1CCCc2[nH]ccc21	ZINC000852174784	EF	On-Demand	Anodyne	CCR3	42	34
O=C(NC[C@H]1CCCN(CC2CC2)C1)N[C@H]1CCCc2[nH]ccc21	ZINC000852174786	EF	On-Demand	Anodyne	CCR3	42	34
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccnc(N)c2)CC1	ZINC000852174798	ED	On-Demand	Anodyne	GPR119	47	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2cccc(F)c2F)CC1	ZINC000852174819	FF	On-Demand	Anodyne	GPR119	27	51
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2ccsc2)CC1	ZINC000852174838	FG	On-Demand	Anodyne	GHRHR	57	35
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(C#N)c(F)c2)CC1	ZINC000852174839	FF	On-Demand	Mild	GPR119	36	48
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(-n3ccnc3)nc2)CC1	ZINC000852174844	GE	On-Demand	Anodyne	NOS2	70	34
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(-n3ccnc3)nc2)CC1	ZINC000852174844	GE	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)cc2F)CC1	ZINC000852174845	FF	On-Demand	Anodyne	GPR119	36	48
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2ccncc2)CC1	ZINC000852174854	EE	On-Demand	Anodyne	GHRHR	41	32
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2ccncc2)CC1	ZINC000852174854	EE	On-Demand	Anodyne	GPR119	30	45
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOCc2ccccc2)CC1	ZINC000852174885	GF	On-Demand	Anodyne	GHRHR	58	36
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOCc2ccccc2)CC1	ZINC000852174885	GF	On-Demand	Anodyne	Q6PRC7_IXORI	17	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOCc2ccccc2)CC1	ZINC000852174885	GF	On-Demand	Anodyne	SLC12A5	44	35
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)NOCc2ccccc2)CC1	ZINC000852174899	GD	On-Demand	Anodyne	Q6PRC7_IXORI	17	40
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)NOCc2ccccc2)CC1	ZINC000852174899	GD	On-Demand	Anodyne	SLC12A5	64	37
Cc1nc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3ccccc3F)C2)c(C)o1	ZINC000852175031	GH	On-Demand	Anodyne	PDE8B	59	35
C[C@@H](Cc1ccncc1)NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852175103	GF	On-Demand	Anodyne	REN	44	38
C[C@@H](Cc1ccncc1)NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852175103	GF	On-Demand	Anodyne	FPR1	43	34
CC(C)(C)OC(=O)N1CCC(CO)(NCCC2CCCCC2)CC1	ZINC000852175109	EG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCC2CC2)CC1	ZINC000852175110	CE	On-Demand	Anodyne	GPR119	30	41
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1CCCc2[nH]ccc21	ZINC000852175112	EF	On-Demand	Anodyne	CACNA1I	41	33
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1CCCc2[nH]ccc21	ZINC000852175113	EF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2cccc(F)c2)CC1	ZINC000852175122	FG	On-Demand	Anodyne	GHRHR	44	32
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2cccc(F)c2)CC1	ZINC000852175122	FG	On-Demand	Anodyne	GPR119	25	49
Cc1cc(F)ccc1CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852175134	FF	On-Demand	Anodyne	GPR119	30	45
CC(C)(C)OC(=O)N1CCC(CO)(NCCCCC2CCOCC2)CC1	ZINC000852175145	FF	On-Demand	Anodyne	GPR119	21	42
O=C(N[C@@H]1CCCc2[nH]ccc21)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852175154	GG	On-Demand	Anodyne	SSTR3	27	44
O=C(N[C@H]1CCCc2[nH]ccc21)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852175155	GG	On-Demand	Anodyne	SSTR3	27	44
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(C#N)cc2)CC1	ZINC000852175159	EE	On-Demand	Mild	GPR119	33	44
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)cc2)CC1	ZINC000852175173	EF	On-Demand	Anodyne	GPR119	42	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(Br)c2)CC1	ZINC000852175175	GG	On-Demand	Anodyne	GPR119	31	41
COC(=O)c1ccc2nc(CN(C)CCCN(C)C(=O)OC(C)(C)C)[nH]c2c1	ZINC000852175231	GG	On-Demand	Anodyne	CACNA1G	24	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(F)cc(F)c2)CC1	ZINC000852175319	FF	On-Demand	Anodyne	GPR119	35	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCC(=O)Nc2cccnc2)CC1	ZINC000852175322	GD	On-Demand	Anodyne	NAMPT	17	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cncc(F)c2)CC1	ZINC000852175331	EE	On-Demand	Anodyne	GPR119	35	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCCSCc2ccccc2)CC1	ZINC000852175339	GH	On-Demand	Anodyne	GHRHR	56	34
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ncc(C3CC3)o2)CC1	ZINC000852175341	FE	On-Demand	Anodyne	GPR119	43	41
COc1cccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852175349	GE	On-Demand	Anodyne	DRD4	41	32
COc1cccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852175349	GE	On-Demand	Anodyne	HRH2	24	41
COc1cccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852175349	GE	On-Demand	Anodyne	MTNR1A	22	46
COc1cccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852175349	GE	On-Demand	Anodyne	MTNR1B	27	46
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H]2CCc3ccccc3C2)CC1	ZINC000852175382	FG	On-Demand	Anodyne	PREP	30	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H]2CCc3ccccc3C2)CC1	ZINC000852175382	FG	On-Demand	Anodyne	GPR119	34	42
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H]2CCc3ccccc3C2)CC1	ZINC000852175383	FG	On-Demand	Anodyne	PREP	30	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H]2CCc3ccccc3C2)CC1	ZINC000852175383	FG	On-Demand	Anodyne	GPR119	34	42
CC[C@@H](CNC(=O)N1CCC(NC(=O)OC)CC1)Oc1ccccc1C	ZINC000852175410	FF	On-Demand	Anodyne	EPHX2	23	40
CC[C@@H](CNC(=O)N1CCC(NC(=O)OC)CC1)Oc1ccccc1C	ZINC000852175410	FF	On-Demand	Anodyne	CCR8	60	38
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Cl)cc2C#N)CC1	ZINC000852175483	GG	On-Demand	Mild	GPR119	26	42
C[C@@H](Cc1ccncc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852175492	ED	On-Demand	Anodyne	CALCRL	45	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCCCc2ccccc2)CC1	ZINC000852175517	FG	On-Demand	Anodyne	GHRHR	64	38
CC(C)(C)OC(=O)N1CCC(CO)(NCCCCc2ccccc2)CC1	ZINC000852175517	FG	On-Demand	Anodyne	SIGMAR1	16	45
CC(C)(C)OC(=O)N1CCC(CO)(NCCCCc2ccccc2)CC1	ZINC000852175517	FG	On-Demand	Anodyne	Q6PRC7_IXORI	15	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2c(F)cccc2Cl)CC1	ZINC000852175550	FG	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(C#N)cn2)CC1	ZINC000852175582	ED	On-Demand	Mild	GPR119	37	43
COc1ccc(CN(C)C[C@H](O)c2ccccn2)cc1Cl	ZINC000852175689	DF	On-Demand	Anodyne	PDE5A	33	43
COc1ccc(CN(C)C[C@H](O)c2ccccn2)cc1Cl	ZINC000852175689	DF	On-Demand	Anodyne	PDE6A	40	32
COc1ccc(CN(C)C[C@@H](O)c2ccccn2)cc1Cl	ZINC000852175690	DF	On-Demand	Anodyne	PDE5A	33	43
COc1ccc(CN(C)C[C@@H](O)c2ccccn2)cc1Cl	ZINC000852175690	DF	On-Demand	Anodyne	PDE6A	40	32
CC(C)(C)OC(=O)N1CCC(CO)(NCCN2CCCc3ccccc32)CC1	ZINC000852175708	GF	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)cc2Cl)CC1	ZINC000852175725	FG	On-Demand	Anodyne	P2RX7	71	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)cc2Cl)CC1	ZINC000852175725	FG	On-Demand	Anodyne	GPR119	26	44
CC[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)Oc1cccc(C)c1	ZINC000852175768	GF	On-Demand	Anodyne	PDS	55	39
CC[C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)Oc1cccc(C)c1	ZINC000852175771	GF	On-Demand	Anodyne	PDS	55	39
C[C@@H](Cc1ccncc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852175787	FF	On-Demand	Anodyne	FPR1	41	33
C[C@@H](Cc1ccncc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852175789	FF	On-Demand	Anodyne	FPR1	41	33
CC[C@@H](CNC(=O)NCCS(=O)(=O)CC(F)(F)F)Oc1cccc(C)c1	ZINC000852175798	GE	On-Demand	Anodyne	PDS	54	39
CC[C@@H](CNC(=O)NCCC1SCCS1)Oc1cccc(C)c1	ZINC000852175818	FH	On-Demand	Anodyne	PDS	36	40
CC[C@@H](CNC(=O)NCCN(C)C(=O)OC)Oc1cccc(C)c1	ZINC000852175859	EE	On-Demand	Anodyne	PDS	54	41
NC(=O)[C@](O)(CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccccc1	ZINC000852175905	DC	On-Demand	Anodyne	CHRM2	19	45
NC(=O)[C@](O)(CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccccc1	ZINC000852175905	DC	On-Demand	Anodyne	CHRM3	32	45
NC(=O)[C@](O)(CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1)c1ccccc1	ZINC000852175906	DC	On-Demand	Anodyne	CHRM2	19	45
NC(=O)[C@](O)(CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1)c1ccccc1	ZINC000852175906	DC	On-Demand	Anodyne	CHRM3	32	45
NC(=O)[C@](O)(CN1C[C@H]2C[C@H](O)CC[C@H]2C1)c1ccccc1	ZINC000852175907	DC	On-Demand	Anodyne	CHRM2	19	45
NC(=O)[C@](O)(CN1C[C@H]2C[C@H](O)CC[C@H]2C1)c1ccccc1	ZINC000852175907	DC	On-Demand	Anodyne	CHRM3	32	45
NC(=O)[C@](O)(CN1C[C@H]2C[C@@H](O)CC[C@H]2C1)c1ccccc1	ZINC000852175908	DC	On-Demand	Anodyne	CHRM2	19	45
NC(=O)[C@](O)(CN1C[C@H]2C[C@@H](O)CC[C@H]2C1)c1ccccc1	ZINC000852175908	DC	On-Demand	Anodyne	CHRM3	32	45
C[C@@H](Cc1ccncc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852175965	FF	On-Demand	Anodyne	FPR1	40	35
CC[C@@H](CNC(=O)N(CCF)CCOC)Oc1cccc(C)c1	ZINC000852175967	EF	On-Demand	Anodyne	PDS	56	41
COc1ccc(CN(C)Cc2cccc(F)n2)cc1Cl	ZINC000852176005	CH	On-Demand	Anodyne	PDE5A	22	40
COc1ccc(CN(C)C[C@](O)(C(N)=O)c2ccccc2)cc1Cl	ZINC000852176008	EE	On-Demand	Anodyne	PDE6A	41	32
COc1ccc(CN(C)C[C@@](O)(C(N)=O)c2ccccc2)cc1Cl	ZINC000852176009	EE	On-Demand	Anodyne	PDE6A	41	32
C[C@@H](Cc1ccncc1)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852176038	GH	On-Demand	Anodyne	ROCK2	24	45
C[C@@H](Cc1ccncc1)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852176038	GH	On-Demand	Anodyne	FPR1	51	36
CC[C@@H](CNC(=O)N(C)CCN(C)C(=O)OC)Oc1cccc(C)c1	ZINC000852176101	FE	On-Demand	Anodyne	PDS	66	43
COC(=O)c1nc(CNC(=O)NC[C@H](c2cccnc2)C(C)C)ccc1Cl	ZINC000852176159	GG	On-Demand	Anodyne	KCNA5	21	49
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](c3cccnc3)C(C)C)C2)cc1	ZINC000852176202	GG	On-Demand	Clean	KCNA5	20	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](c3cccnc3)C(C)C)C2)cc1	ZINC000852176202	GG	On-Demand	Clean	C3AR1	34	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](c3cccnc3)C(C)C)C2)cc1	ZINC000852176204	GG	On-Demand	Clean	KCNA5	20	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](c3cccnc3)C(C)C)C2)cc1	ZINC000852176204	GG	On-Demand	Clean	C3AR1	34	43
COC(=O)C1(N(Cc2cc([N+](=O)[O-])ccc2Cl)C2CC2)CCC1	ZINC000852176215	EG	On-Demand	Bother	SLC27A4	43	33
O=C(NCc1nccn1CCc1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852176221	GE	On-Demand	Anodyne	CALCRL	37	44
COC(=O)N(C)CCNC(=O)NC[C@H](c1cccnc1)C(C)C	ZINC000852176227	DD	On-Demand	Anodyne	KCNA5	27	51
COC(=O)N(C)CCNC(=O)NC[C@@H](c1cccnc1)C(C)C	ZINC000852176228	DD	On-Demand	Anodyne	KCNA5	27	51
NC(=O)[C@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176233	CD	On-Demand	Anodyne	CHRM2	31	42
NC(=O)[C@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176233	CD	On-Demand	Anodyne	CHRM1	30	40
NC(=O)[C@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176233	CD	On-Demand	Anodyne	CHRM4	25	40
NC(=O)[C@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176233	CD	On-Demand	Anodyne	CHRM3	50	42
NC(=O)[C@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176233	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176233	CD	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176234	CD	On-Demand	Anodyne	CHRM2	31	42
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176234	CD	On-Demand	Anodyne	CHRM1	30	40
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176234	CD	On-Demand	Anodyne	CHRM4	25	40
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176234	CD	On-Demand	Anodyne	CHRM3	50	42
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176234	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852176234	CD	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176235	CD	On-Demand	Anodyne	CHRM2	31	42
NC(=O)[C@@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176235	CD	On-Demand	Anodyne	CHRM1	30	40
NC(=O)[C@@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176235	CD	On-Demand	Anodyne	CHRM4	25	40
NC(=O)[C@@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176235	CD	On-Demand	Anodyne	CHRM3	50	42
NC(=O)[C@@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176235	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176235	CD	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176236	CD	On-Demand	Anodyne	CHRM2	31	42
NC(=O)[C@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176236	CD	On-Demand	Anodyne	CHRM1	30	40
NC(=O)[C@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176236	CD	On-Demand	Anodyne	CHRM4	25	40
NC(=O)[C@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176236	CD	On-Demand	Anodyne	CHRM3	50	42
NC(=O)[C@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176236	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@](O)(CN1CC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852176236	CD	On-Demand	Anodyne	CYP2J2	49	34
COC(=O)C1(N(Cc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)CCC1	ZINC000852176243	EG	On-Demand	Bother	NOS3	15	49
COC(=O)C1(N(Cc2cccnc2Cl)C2CC2)CCC1	ZINC000852176246	CF	On-Demand	Anodyne	G2YM83_BOTF4	66	33
CC[C@@H](CNC(=O)NCc1ncccn1)Oc1ccccc1C	ZINC000852176266	DE	On-Demand	Anodyne	PDS	46	35
CC[C@@H](CNC(=O)NCC1SCCS1)Oc1cccc(C)c1	ZINC000852176290	EG	On-Demand	Anodyne	PDS	39	41
CC[C@@H](CNC(=O)NCc1ncccn1)Oc1cccc(C)c1	ZINC000852176299	DE	On-Demand	Anodyne	PDS	85	47
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2cccc(F)c2)CC1	ZINC000852176327	GE	On-Demand	Anodyne	GPR119	26	44
CCOP(=O)(OCC)[C@H](O)CN(C)Cc1ccc(OC)c(Cl)c1	ZINC000852176350	FG	On-Demand	Anodyne	PDE6A	42	33
CCOP(=O)(OCC)[C@@H](O)CN(C)Cc1ccc(OC)c(Cl)c1	ZINC000852176351	FG	On-Demand	Anodyne	PDE6A	42	33
C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	ZINC000852176360	FD	On-Demand	Reactive	GRIA1	46	38
COC(=O)C1(N(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)CCC1	ZINC000852176379	GC	On-Demand	Reactive	SLC27A4	50	34
C[C@@H](Cc1ccncc1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852176393	FG	On-Demand	Anodyne	ADRB2	44	44
C[C@@H](Cc1ccncc1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852176396	FG	On-Demand	Anodyne	ADRB2	44	44
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2ccccn2)CC1	ZINC000852176491	ED	On-Demand	Anodyne	GPR119	30	45
O=C(NCc1ncccn1)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852176500	EE	On-Demand	Anodyne	EPHX2	17	42
O=C(NCc1ncccn1)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852176502	EE	On-Demand	Anodyne	EPHX2	17	42
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COc2ccccc2)CC1	ZINC000852176512	GD	On-Demand	Anodyne	ADRB2	37	44
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COc2ccccc2)CC1	ZINC000852176512	GD	On-Demand	Anodyne	ADRB1	52	38
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COc2ccccc2)CC1	ZINC000852176512	GD	On-Demand	Anodyne	ABCB1	35	51
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COc2ccccc2)CC1	ZINC000852176514	GD	On-Demand	Anodyne	ADRB2	37	44
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COc2ccccc2)CC1	ZINC000852176514	GD	On-Demand	Anodyne	ADRB1	52	38
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COc2ccccc2)CC1	ZINC000852176514	GD	On-Demand	Anodyne	ABCB1	35	51
CC(C)(C)OC(=O)N1CCC[C@@]12CCN(CCc1ccc(C#N)cc1)C2	ZINC000852176535	FH	On-Demand	Mild	SLC12A5	25	41
CC(C)(C)OC(=O)N1CCC[C@@]12CCN(CCc1ccc(C#N)cc1)C2	ZINC000852176535	FH	On-Demand	Mild	KCNJ1	15	43
CC(C)(C)OC(=O)CC[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852176540	GE	On-Demand	Anodyne	AMY2	47	32
CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852176541	GE	On-Demand	Anodyne	AMY2	47	32
CC(C)(C)OC(=O)CC[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852176542	GE	On-Demand	Anodyne	AMY2	47	32
CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852176543	GE	On-Demand	Anodyne	AMY2	47	32
COC(=O)C1(N(CCc2ccc(S(N)(=O)=O)cc2)C2CC2)CCC1	ZINC000852176547	FD	On-Demand	Anodyne	CA2	90	42
COC(=O)C1(N(CCc2ccc(S(N)(=O)=O)cc2)C2CC2)CCC1	ZINC000852176547	FD	On-Demand	Anodyne	CA1	80	41
COC(=O)C1(N(CCc2ccc(S(N)(=O)=O)cc2)C2CC2)CCC1	ZINC000852176547	FD	On-Demand	Anodyne	CA7	60	39
COC(=O)C1(N(CCc2ccc(S(N)(=O)=O)cc2)C2CC2)CCC1	ZINC000852176547	FD	On-Demand	Anodyne	CA4	63	41
COC(=O)C1(N(CCc2ccc(S(N)(=O)=O)cc2)C2CC2)CCC1	ZINC000852176547	FD	On-Demand	Anodyne	CA14	52	39
COC(=O)C1(N(CCc2ccc(S(N)(=O)=O)cc2)C2CC2)CCC1	ZINC000852176547	FD	On-Demand	Anodyne	CA12	65	42
COC(=O)C1(N(CCc2ccc(S(N)(=O)=O)cc2)C2CC2)CCC1	ZINC000852176547	FD	On-Demand	Anodyne	CA9	69	42
COC(=O)C1(N(CCc2ccc(S(N)(=O)=O)cc2)C2CC2)CCC1	ZINC000852176547	FD	On-Demand	Anodyne	P96878_MYCTU	42	38
COC(=O)C1(N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C2CC2)CCC1	ZINC000852176548	GC	On-Demand	Reactive	CACNA1C	52	36
COC(=O)C1(N(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C2CC2)CCC1	ZINC000852176548	GC	On-Demand	Reactive	CACNA1D	82	36
CC[C@@H](CNC(=O)NCc1ncccn1)Oc1cccc(C(F)(F)F)c1	ZINC000852176551	FG	On-Demand	Anodyne	P2RY1	15	41
CC[C@@H](CNC(=O)NCc1ncccn1)Oc1cccc(C(F)(F)F)c1	ZINC000852176551	FG	On-Demand	Anodyne	PDS	92	51
COC1([C@H](C)NC[C@](O)(C(N)=O)c2ccccc2)CCC1	ZINC000852176591	CC	On-Demand	Anodyne	AMY2	56	33
COC(=O)[C@@]1(C)CCCN(CCC(OC)OC)C1	ZINC000852176592	CD	On-Demand	Anodyne	EBP	17	44
COC1([C@H](C)NC[C@@](O)(C(N)=O)c2ccccc2)CCC1	ZINC000852176593	CC	On-Demand	Anodyne	AMY2	56	33
COC1([C@@H](C)NC[C@](O)(C(N)=O)c2ccccc2)CCC1	ZINC000852176596	CC	On-Demand	Anodyne	AMY2	56	33
COC1([C@@H](C)NC[C@@](O)(C(N)=O)c2ccccc2)CCC1	ZINC000852176599	CC	On-Demand	Anodyne	AMY2	56	33
COC(=O)C1(N(C[C@H](O)c2ccccc2)C2CC2)CCC1	ZINC000852176601	CE	On-Demand	Anodyne	AMY2	44	30
COC(=O)C1(N(C[C@@H](O)c2ccccc2)C2CC2)CCC1	ZINC000852176604	CE	On-Demand	Anodyne	AMY2	44	30
C#C[C@H](NC(=O)NC[C@@H](c1cccnc1)C(C)C)C1CCOCC1	ZINC000852176614	EF	On-Demand	Mild	KCNA5	21	46
C#C[C@@H](NC(=O)NC[C@@H](c1cccnc1)C(C)C)C1CCOCC1	ZINC000852176617	EF	On-Demand	Mild	KCNA5	21	46
C#C[C@H](NC(=O)NC[C@H](c1cccnc1)C(C)C)C1CCOCC1	ZINC000852176620	EF	On-Demand	Mild	KCNA5	21	46
C#C[C@@H](NC(=O)NC[C@H](c1cccnc1)C(C)C)C1CCOCC1	ZINC000852176623	EF	On-Demand	Mild	KCNA5	21	46
C[C@@H](Cc1ccncc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852176665	DD	On-Demand	Anodyne	CALCRL	40	36
C[C@@H](Cc1ccncc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852176668	DD	On-Demand	Anodyne	CALCRL	40	36
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2ccc(F)cc2)CC1	ZINC000852176698	FE	On-Demand	Anodyne	GPR119	26	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2ccc(F)cc2)CC1	ZINC000852176700	FE	On-Demand	Anodyne	GPR119	26	43
COc1ccc(CN(C)Cc2cnon2)cc1Cl	ZINC000852176706	CE	On-Demand	Anodyne	PDE6A	40	32
C[C@H]1C[C@H](NC(=O)NCc2ncccn2)CCN1Cc1ccccc1	ZINC000852176708	EE	On-Demand	Anodyne	DRD4	21	48
C[C@H]1C[C@H](NC(=O)NCc2ncccn2)CCN1Cc1ccccc1	ZINC000852176708	EE	On-Demand	Anodyne	SIGMAR1	24	40
C[C@H]1C[C@H](NC(=O)NCc2ncccn2)CCN1Cc1ccccc1	ZINC000852176708	EE	On-Demand	Anodyne	EPHX2	25	43
COC(=O)C1(N(CC(=O)NOCc2ccccc2)C2CC2)CCC1	ZINC000852176733	ED	On-Demand	Anodyne	SLC12A5	68	40
COC(=O)C1(N(CC(=O)OCc2ccccc2)C2CC2)CCC1	ZINC000852176768	DE	On-Demand	Anodyne	AMY2	44	30
COC(=O)C1(N(CC(=O)OCc2ccccc2)C2CC2)CCC1	ZINC000852176768	DE	On-Demand	Anodyne	SLC12A5	79	44
COC(=O)C1(N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)CCC1	ZINC000852176777	EE	On-Demand	Bother	SLC27A4	52	35
COC(=O)C1(N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)CCC1	ZINC000852176781	EE	On-Demand	Bother	SLC27A4	52	35
COC(=O)C1(N(C2CC2)[C@@H]2CCCN(Cc3ccccc3)C2=O)CCC1	ZINC000852176882	FF	On-Demand	Anodyne	SLC12A5	51	34
COC(=O)C1(N(C2CC2)[C@H]2CCCN(Cc3ccccc3)C2=O)CCC1	ZINC000852176884	FF	On-Demand	Anodyne	SLC12A5	51	34
COC(=O)C1(N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2CC2)CCC1	ZINC000852176911	GF	On-Demand	Bother	SLC27A4	50	33
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COc2ccc(F)cc2)CC1	ZINC000852176912	GD	On-Demand	Anodyne	ABCB1	15	46
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000852176914	GD	On-Demand	Anodyne	ABCB1	15	46
COC(=O)C1(N(Cc2ccc(-n3ccnc3)nc2)C2CC2)CCC1	ZINC000852176943	EE	On-Demand	Anodyne	NOS2	88	39
CC(C)(C)OC(=O)N1CCC(CO)(NCCOc2cccc(Cl)c2)CC1	ZINC000852176964	GG	On-Demand	Anodyne	HRH2	24	40
COc1ccc(CN(C)CC(=O)Nc2ccc(Cl)nc2)cc1Cl	ZINC000852177094	FG	On-Demand	Anodyne	GRM4	15	42
COc1ccc(CN(C)CC(=O)Nc2ccc(Cl)nc2)cc1Cl	ZINC000852177094	FG	On-Demand	Anodyne	PDE6A	49	38
COc1ccc(CN(C)CC(=O)Nc2ccc(Cl)nc2)cc1Cl	ZINC000852177094	FG	On-Demand	Anodyne	ENPP1	70	37
COc1ccc(CN(C)CCn2cnc(Br)n2)cc1Cl	ZINC000852177100	FF	On-Demand	Anodyne	PDE6A	41	34
NC(=O)[C@](O)(CN1CCC[C@@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177123	EC	On-Demand	Anodyne	CHRM2	26	40
NC(=O)[C@](O)(CN1CCC[C@@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177123	EC	On-Demand	Anodyne	CHRM3	37	40
NC(=O)[C@](O)(CN1CCC[C@@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177123	EC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CCC[C@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177124	EC	On-Demand	Anodyne	CHRM2	26	40
NC(=O)[C@](O)(CN1CCC[C@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177124	EC	On-Demand	Anodyne	CHRM3	37	40
NC(=O)[C@](O)(CN1CCC[C@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177124	EC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CCC[C@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177125	EC	On-Demand	Anodyne	CHRM2	26	40
NC(=O)[C@@](O)(CN1CCC[C@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177125	EC	On-Demand	Anodyne	CHRM3	37	40
NC(=O)[C@@](O)(CN1CCC[C@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177125	EC	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CCC[C@@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177126	EC	On-Demand	Anodyne	CHRM2	26	40
NC(=O)[C@@](O)(CN1CCC[C@@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177126	EC	On-Demand	Anodyne	CHRM3	37	40
NC(=O)[C@@](O)(CN1CCC[C@@H](N2CCCC2=O)CC1)c1ccccc1	ZINC000852177126	EC	On-Demand	Anodyne	CYP2J2	44	31
CC[C@@H](CNC(=O)N1CCC(NC(=O)OC)CC1)Oc1cccc(C)c1	ZINC000852177131	FF	On-Demand	Anodyne	FAAH	18	45
CC[C@@H](CNC(=O)N1CCC(NC(=O)OC)CC1)Oc1cccc(C)c1	ZINC000852177131	FF	On-Demand	Anodyne	EPHX2	30	44
CC[C@@H](CNC(=O)N1CCC(NC(=O)OC)CC1)Oc1cccc(C)c1	ZINC000852177131	FF	On-Demand	Anodyne	PDS	47	41
COCCN(CCF)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852177180	EF	On-Demand	Anodyne	DRD3	15	46
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)N2CCc3ccccc32)CC1	ZINC000852177222	GD	On-Demand	Anodyne	GPR119	21	41
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COc2ccccc2F)CC1	ZINC000852177227	GD	On-Demand	Anodyne	ABCB1	47	54
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COc2ccccc2F)CC1	ZINC000852177227	GD	On-Demand	Anodyne	GPR119	31	45
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COc2ccccc2F)CC1	ZINC000852177229	GD	On-Demand	Anodyne	ABCB1	47	54
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COc2ccccc2F)CC1	ZINC000852177229	GD	On-Demand	Anodyne	GPR119	31	45
C[C@@H]1[C@@H](CO)CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852177260	CC	On-Demand	Anodyne	AMY2	46	32
COC(=O)C1(N(C[C@H](O)c2cccc(Cl)c2)C2CC2)CCC1	ZINC000852177263	DF	On-Demand	Anodyne	ADRB3	38	40
C[C@@H]1[C@@H](CO)CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852177264	CC	On-Demand	Anodyne	AMY2	46	32
COC(=O)C1(N(C[C@@H](O)c2cccc(Cl)c2)C2CC2)CCC1	ZINC000852177265	DF	On-Demand	Anodyne	ADRB3	38	40
COC(=O)C1(N(CCOc2ccc3c(C)cc(=O)oc3c2)C2CC2)CCC1	ZINC000852177282	FG	On-Demand	Anodyne	MAOA	61	48
COC(=O)C1(N(CCOc2ccc3c(C)cc(=O)oc3c2)C2CC2)CCC1	ZINC000852177282	FG	On-Demand	Anodyne	MAOB	45	48
CC(C)(C)OC(=O)N1CCC[C@@]12CCN(C[C@](O)(C(N)=O)c1ccccc1)C2	ZINC000852177306	GD	On-Demand	Anodyne	SLC12A5	61	34
CC(C)(C)OC(=O)N1CCC[C@@]12CCN(C[C@@](O)(C(N)=O)c1ccccc1)C2	ZINC000852177314	GD	On-Demand	Anodyne	SLC12A5	61	34
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852177321	ED	On-Demand	Anodyne	CHRM2	17	41
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852177321	ED	On-Demand	Anodyne	CHRM3	25	41
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852177321	ED	On-Demand	Anodyne	AMY2	52	29
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852177323	ED	On-Demand	Anodyne	CHRM2	17	41
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852177323	ED	On-Demand	Anodyne	CHRM3	25	41
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852177323	ED	On-Demand	Anodyne	AMY2	52	29
CC(C)(C)OC(=O)N1CCC[C@@]12CCN(Cc1cccc(N)c1)C2	ZINC000852177396	EG	On-Demand	Anodyne	SLC12A5	61	34
Cc1ccccc1CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852177420	EF	On-Demand	Anodyne	GPR119	30	42
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COCc2ccccc2)CC1	ZINC000852177422	GD	On-Demand	Anodyne	GHRHR	55	39
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COCc2ccccc2)CC1	ZINC000852177422	GD	On-Demand	Anodyne	GHSR	36	41
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)COCc2ccccc2)CC1	ZINC000852177422	GD	On-Demand	Anodyne	Q6PRC7_IXORI	21	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COCc2ccccc2)CC1	ZINC000852177424	GD	On-Demand	Anodyne	GHRHR	55	39
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COCc2ccccc2)CC1	ZINC000852177424	GD	On-Demand	Anodyne	GHSR	36	41
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)COCc2ccccc2)CC1	ZINC000852177424	GD	On-Demand	Anodyne	Q6PRC7_IXORI	21	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852177473	FD	On-Demand	Anodyne	DRD3	17	46
CC(C)(C)OC(=O)N1CCC(CO)(NCc2nc(-c3cccs3)no2)CC1	ZINC000852177474	GF	On-Demand	Anodyne	ETHR	32	41
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852177475	FD	On-Demand	Anodyne	DRD3	17	46
COC(=O)[C@@H]1CSCCN(Cc2cccc(F)n2)C1	ZINC000852177500	CD	On-Demand	Anodyne	PDE8B	45	34
COC(=O)[C@H]1CSCCN(Cc2cccc(F)n2)C1	ZINC000852177502	CD	On-Demand	Anodyne	PDE8B	45	34
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(C(N)=O)c2)CC1	ZINC000852177521	FD	On-Demand	Anodyne	GPR119	28	41
COC(=O)C1(N(Cc2cc(=O)oc3cc(O)ccc23)C2CC2)CCC1	ZINC000852177528	EF	On-Demand	Anodyne	HSD17B3	33	48
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(F)c2)CC1	ZINC000852177573	EF	On-Demand	Anodyne	GPR119	37	52
COC(=O)C1(N(CCC(=O)OCc2ccccc2)C2CC2)CCC1	ZINC000852177603	EF	On-Demand	Anodyne	AMY2	46	31
COC(=O)C1(N(CCC(=O)OCc2ccccc2)C2CC2)CCC1	ZINC000852177603	EF	On-Demand	Anodyne	SLC12A5	72	40
COC(=O)C1(N(C[C@H](O)c2cccc(C(F)(F)F)c2)C2CC2)CCC1	ZINC000852177627	FG	On-Demand	Anodyne	CCR2	53	35
COC(=O)C1(N(C[C@@H](O)c2cccc(C(F)(F)F)c2)C2CC2)CCC1	ZINC000852177630	FG	On-Demand	Anodyne	CCR2	53	35
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2ccc(F)cc2F)CC1	ZINC000852177636	GE	On-Demand	Anodyne	GPR119	31	42
COC(=O)C1(N(CCOC(=O)Cc2ccccc2)C2CC2)CCC1	ZINC000852177646	EE	On-Demand	Anodyne	AMY2	47	33
COC(=O)C1(N(CCOC(=O)Cc2ccccc2)C2CC2)CCC1	ZINC000852177646	EE	On-Demand	Anodyne	SLC12A5	58	36
CC(C)(C)OC(=O)N1CCC(CO)(NCCC(=O)Nc2ccccc2F)CC1	ZINC000852177649	GF	On-Demand	Anodyne	GPR119	22	41
COC(=O)C1(N(Cc2nc3ccccc3[nH]2)C2CC2)CCC1	ZINC000852177659	CF	On-Demand	Anodyne	CXCR4	37	41
COC(=O)C1(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C2CC2)CCC1	ZINC000852177662	GE	On-Demand	Anodyne	MTOR	70	38
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccc(F)cc3F)C2)cc1	ZINC000852177680	GH	On-Demand	Clean	CCR3	26	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccc(F)cc3F)C2)cc1	ZINC000852177680	GH	On-Demand	Clean	MCHR1	15	40
CN(CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1	ZINC000852177689	FE	On-Demand	Anodyne	AMY2	51	29
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2ccccc2F)CC1	ZINC000852177692	GE	On-Demand	Anodyne	GPR119	30	42
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCC3)C2)cc1	ZINC000852177703	DF	On-Demand	Clean	MTNR1A	23	47
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCC3)C2)cc1	ZINC000852177703	DF	On-Demand	Clean	MTNR1B	23	47
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCC3)C2)cc1	ZINC000852177703	DF	On-Demand	Clean	EPHX2	15	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(C#N)ccc2F)CC1	ZINC000852177745	FF	On-Demand	Mild	GPR119	37	44
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2ccccc2)CC1	ZINC000852177761	EF	On-Demand	Anodyne	GHRHR	65	39
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2ccccc2)CC1	ZINC000852177761	EF	On-Demand	Anodyne	Q6PRC7_IXORI	15	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccn(C3CCCC3)n2)CC1	ZINC000852177766	GF	On-Demand	Anodyne	GPR119	41	36
Cc1cc(C)cc(NC(=O)CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852177772	GF	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)NCc2cccnc2)CC1	ZINC000852177775	GD	On-Demand	Anodyne	NAMPT	56	42
COC(=O)C1(N(CC(=O)NNC(=O)c2cccc(C)c2)C2CC2)CCC1	ZINC000852177790	FD	On-Demand	Reactive	KCNK3	52	35
COC(=O)C1(N(CC(=O)NNC(=O)c2cccc(C)c2)C2CC2)CCC1	ZINC000852177790	FD	On-Demand	Reactive	KCNK9	42	35
Cc1cc(F)ccc1[C@@H](O)CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852177814	GF	On-Demand	Anodyne	GPR119	23	44
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2F)CC1	ZINC000852177839	EF	On-Demand	Anodyne	GPR119	35	53
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOc2ccccc2)CC1	ZINC000852177851	FF	On-Demand	Anodyne	GPR119	36	40
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2ccc(F)c(F)c2)CC1	ZINC000852177852	GE	On-Demand	Anodyne	MCHR1	15	41
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2ccc(F)c(F)c2)CC1	ZINC000852177852	GE	On-Demand	Anodyne	F13A1	23	45
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)NCc2ccc(F)cc2)CC1	ZINC000852177858	GD	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)c(C#N)c2)CC1	ZINC000852177860	FF	On-Demand	Mild	GPR119	38	48
CCC1(CNC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)CC1	ZINC000852177861	FD	On-Demand	Reactive	NPFFR2	29	40
CCC1(CNC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)CC1	ZINC000852177861	FD	On-Demand	Reactive	NPFFR1	42	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2c(F)cccc2[N+](=O)[O-])CC1	ZINC000852177862	GF	On-Demand	Bother	GPR119	31	43
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852177935	FG	On-Demand	Reactive	F10	29	46
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852177936	FG	On-Demand	Reactive	F10	29	46
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2OC(F)F)CC1	ZINC000852177956	GG	On-Demand	Anodyne	GPR119	23	43
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2nccs2)CC1	ZINC000852177976	FD	On-Demand	Anodyne	MAP1	103	37
CC(=O)c1cc(F)cc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1O	ZINC000852177979	GF	On-Demand	Clean	GPR119	17	41
O=C(NCc1ncccn1)NCc1nccn1CCCc1ccccc1	ZINC000852177982	FE	On-Demand	Anodyne	CES1	41	34
COCCN(CCF)C(=O)NC[C@H](c1cccnc1)C(C)C	ZINC000852177998	DE	On-Demand	Anodyne	KCNA5	23	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccncc2)CC1	ZINC000852177999	DD	On-Demand	Anodyne	GPR119	43	48
COCCN(CCF)C(=O)NC[C@@H](c1cccnc1)C(C)C	ZINC000852178000	DE	On-Demand	Anodyne	KCNA5	23	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccnc2)CC1	ZINC000852178001	DD	On-Demand	Anodyne	GPR119	38	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccnc2)CC1	ZINC000852178001	DD	On-Demand	Anodyne	NAMPT	43	40
CCCCCC[C@](O)(CN1CC[C@H](O)[C@H](CO)C1)C(=O)OC	ZINC000852178012	DC	On-Demand	Anodyne	GBA2	40	36
CCCCCC[C@](O)(CN1CC[C@@H](O)[C@@H](CO)C1)C(=O)OC	ZINC000852178014	DC	On-Demand	Anodyne	GBA2	40	36
CCCCCC[C@](O)(CN1CC[C@@H](O)[C@H](CO)C1)C(=O)OC	ZINC000852178016	DC	On-Demand	Anodyne	GBA2	40	36
CCCCCC[C@](O)(CN1CC[C@H](O)[C@@H](CO)C1)C(=O)OC	ZINC000852178019	DC	On-Demand	Anodyne	GBA2	40	36
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852178058	GF	On-Demand	Anodyne	DRD3	19	45
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852178063	GF	On-Demand	Anodyne	DRD3	19	45
Cc1cc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2n1	ZINC000852178065	GG	On-Demand	Anodyne	ADAM17	92	60
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852178066	GF	On-Demand	Anodyne	DRD3	19	45
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ncc(-c3ccccc3)o2)CC1	ZINC000852178068	GG	On-Demand	Anodyne	NPPA	22	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000852178070	GF	On-Demand	Anodyne	DRD3	19	45
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc([N+](=O)[O-])c2)CC1	ZINC000852178075	FE	On-Demand	Bother	CACNA1C	61	38
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc([N+](=O)[O-])c2)CC1	ZINC000852178075	FE	On-Demand	Bother	CACNA1D	91	38
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(-n3ccnc3)cc2)CC1	ZINC000852178077	GF	On-Demand	Anodyne	NOS2	45	35
COC(=O)C1(N(CC(=O)Nc2ccc3nc(O)[nH]c3c2)C2CC2)CCC1	ZINC000852178078	FD	On-Demand	Anodyne	ENPP1	40	33
COC(=O)C1(N(CC[C@@H]2CCOC2=O)C2CC2)CCC1	ZINC000852178095	CD	On-Demand	Anodyne	TRAR	59	36
COC(=O)C1(N(CC[C@H]2CCOC2=O)C2CC2)CCC1	ZINC000852178097	CD	On-Demand	Anodyne	TRAR	59	36
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccnc(Cl)c2)CC1	ZINC000852178098	FF	On-Demand	Anodyne	GPR119	43	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2ccccc2F)CC1	ZINC000852178129	FE	On-Demand	Anodyne	GPR119	26	48
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2ccccc2F)CC1	ZINC000852178131	FE	On-Demand	Anodyne	GPR119	26	48
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852178139	GH	On-Demand	Anodyne	OPRK1	15	46
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(Cl)c(Cl)c2)CC1	ZINC000852178139	GH	On-Demand	Anodyne	DNAE	80	33
CC(C)(C)OC(=O)N1CCC(CO)(NCCOc2ccc(C#N)cc2)CC1	ZINC000852178144	GE	On-Demand	Mild	GPR119	32	44
O=C(NCc1ncccn1)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000852178157	GE	On-Demand	Anodyne	CCR2	59	41
O=C(NCc1ncccn1)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000852178157	GE	On-Demand	Anodyne	PDS	23	41
O=C(NCc1ncccn1)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000852178158	GE	On-Demand	Anodyne	CCR2	59	41
O=C(NCc1ncccn1)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000852178158	GE	On-Demand	Anodyne	PDS	23	41
CSc1ccc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178163	FG	On-Demand	Anodyne	GPR119	40	47
COC(=O)C1(N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)CCC1	ZINC000852178184	EE	On-Demand	Bother	CACNA1C	58	39
COC(=O)C1(N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)CCC1	ZINC000852178184	EE	On-Demand	Bother	CACNA1D	87	36
COC(=O)C1(N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)CCC1	ZINC000852178185	EE	On-Demand	Bother	CACNA1C	58	39
COC(=O)C1(N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)CCC1	ZINC000852178185	EE	On-Demand	Bother	CACNA1D	87	36
COC(=O)C1(N(CC(=O)Nc2cccnc2Cl)C2CC2)CCC1	ZINC000852178192	EE	On-Demand	Anodyne	G2YM83_BOTF4	74	36
O=C(NCc1nccn1CCc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852178199	GD	On-Demand	Anodyne	CALCRL	15	40
O=C(NCc1nccn1CCc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852178199	GD	On-Demand	Anodyne	NPSR1	25	40
O=C(NCc1nccn1CCc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852178200	GD	On-Demand	Anodyne	CALCRL	15	40
O=C(NCc1nccn1CCc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852178200	GD	On-Demand	Anodyne	NPSR1	25	40
Cc1ccccc1CNC(=O)CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852178237	GD	On-Demand	Anodyne	GPR119	24	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2(C)CCC2)O1	ZINC000852178248	FD	On-Demand	Reactive	NPFFR1	40	36
CC(C)(C)OC(=O)N1CCC(CO)(NCc2nc(-c3ccco3)no2)CC1	ZINC000852178276	GE	On-Demand	Anodyne	ADORA2A	22	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC3(C)C)C2)cc1	ZINC000852178310	EG	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC3(C)C)C2)cc1	ZINC000852178310	EG	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC3(C)C)C2)cc1	ZINC000852178311	EG	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC3(C)C)C2)cc1	ZINC000852178311	EG	On-Demand	Clean	MTNR1B	15	44
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(C(F)(F)F)cc2)CC1	ZINC000852178422	GH	On-Demand	Anodyne	GPR119	41	37
CC(C)(C)OC(=O)N1CCC(CO)(NCCOc2ccccc2F)CC1	ZINC000852178430	FF	On-Demand	Anodyne	GPR119	34	43
CC(C)(C)OC(=O)CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178432	GE	On-Demand	Anodyne	AMY2	43	30
CC(C)(C)OC(=O)CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178432	GE	On-Demand	Anodyne	CYP2J2	46	34
CC(C)(C)OC(=O)CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178433	GE	On-Demand	Anodyne	AMY2	43	30
CC(C)(C)OC(=O)CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178433	GE	On-Demand	Anodyne	CYP2J2	46	34
CC(C)(C)OC(=O)CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178434	GE	On-Demand	Anodyne	AMY2	43	30
CC(C)(C)OC(=O)CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178434	GE	On-Demand	Anodyne	CYP2J2	46	34
CC(C)(C)OC(=O)CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178435	GE	On-Demand	Anodyne	AMY2	43	30
CC(C)(C)OC(=O)CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178435	GE	On-Demand	Anodyne	CYP2J2	46	34
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1	ZINC000852178438	FF	On-Demand	Anodyne	SIGMAR1	25	40
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1	ZINC000852178439	FF	On-Demand	Anodyne	SIGMAR1	25	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(F)c2F)CC1	ZINC000852178474	FF	On-Demand	Anodyne	GPR119	31	55
COC(=O)[C@@]1(C)CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178479	DC	On-Demand	Anodyne	SLC12A5	57	37
COC(=O)[C@@]1(C)CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852178481	DC	On-Demand	Anodyne	SLC12A5	57	37
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)NCc2ccccc2F)CC1	ZINC000852178491	GD	On-Demand	Anodyne	GPR119	27	52
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(C#N)cc2F)CC1	ZINC000852178492	FF	On-Demand	Mild	GPR119	32	43
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)cn2)CCN1Cc1ccccc1	ZINC000852178495	FG	On-Demand	Reactive	DRD4	20	42
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)cn2)CCN1Cc1ccccc1	ZINC000852178495	FG	On-Demand	Reactive	SIGMAR1	20	41
C[C@H]1C[C@H](NC(=O)NCC2SCCS2)CCN1Cc1ccccc1	ZINC000852178503	FG	On-Demand	Anodyne	DRD4	20	43
C[C@H]1C[C@H](NC(=O)NCC2SCCS2)CCN1Cc1ccccc1	ZINC000852178503	FG	On-Demand	Anodyne	SIGMAR1	25	41
C[C@H]1C[C@H](NC(=O)NCC2SCCS2)CCN1Cc1ccccc1	ZINC000852178503	FG	On-Demand	Anodyne	EPHX2	23	46
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2)CC1	ZINC000852178506	DF	On-Demand	Anodyne	GHRHR	52	32
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2)CC1	ZINC000852178506	DF	On-Demand	Anodyne	GPR119	41	41
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOc2ccc(Cl)cc2)CC1	ZINC000852178526	GG	On-Demand	Anodyne	GPR119	32	40
C[C@H]1C[C@H](NC(=O)NNC(=O)c2cn(C)nn2)CCN1Cc1ccccc1	ZINC000852178534	FC	On-Demand	Reactive	DRD4	19	40
Cc1cccc(CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852178571	EF	On-Demand	Anodyne	GPR119	35	47
C[C@H]1C[C@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852178588	GH	On-Demand	Anodyne	DRD4	21	42
C[C@H]1C[C@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852178588	GH	On-Demand	Anodyne	ACHE	17	41
C[C@H]1C[C@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852178588	GH	On-Demand	Anodyne	SIGMAR1	23	40
C[C@H]1C[C@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852178588	GH	On-Demand	Anodyne	EPHX2	16	43
CCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852178692	CD	On-Demand	Reactive	HCN1	50	31
CCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852178692	CD	On-Demand	Reactive	HCN4	48	31
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOc2ccc(F)cc2)CC1	ZINC000852178708	GF	On-Demand	Anodyne	GPR119	32	40
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2sccc2C#N)CC1	ZINC000852178719	GD	On-Demand	Mild	GPR119	20	41
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2ccc(Cl)cc2)CC1	ZINC000852178726	GF	On-Demand	Anodyne	EPHX2	20	40
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2ccc(Cl)cc2)CC1	ZINC000852178726	GF	On-Demand	Anodyne	F13A1	16	40
CCOc1ccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178730	GF	On-Demand	Anodyne	MMP13	15	46
CCOc1ccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178730	GF	On-Demand	Anodyne	GPR119	33	40
CCOc1ccccc1OCCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852178743	GF	On-Demand	Anodyne	HCN1	50	34
CCOc1ccccc1OCCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852178743	GF	On-Demand	Anodyne	HCN4	42	33
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(OC(F)F)c2)CC1	ZINC000852178747	GG	On-Demand	Anodyne	GPR119	27	41
COc1ccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178750	GE	On-Demand	Anodyne	MMP13	17	44
COc1ccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178750	GE	On-Demand	Anodyne	ADAM17	15	44
COc1ccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178750	GE	On-Demand	Anodyne	GPR119	31	40
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852178752	CB	On-Demand	Reactive	HCN1	57	34
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852178752	CB	On-Demand	Reactive	HCN4	48	31
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2cccnc2Cl)CC1	ZINC000852178785	GE	On-Demand	Anodyne	G2YM83_BOTF4	66	34
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccc2Br)CC1	ZINC000852178787	GG	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000852178793	GD	On-Demand	Mild	GPR119	21	40
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000852178794	GD	On-Demand	Mild	GPR119	21	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCC(=O)Nc2cccc(F)c2)CC1	ZINC000852178796	GF	On-Demand	Anodyne	GPR119	22	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(C(F)(F)F)c2)CC1	ZINC000852178798	GH	On-Demand	Anodyne	TACR1	38	56
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(C(F)(F)F)c2)CC1	ZINC000852178798	GH	On-Demand	Anodyne	CCR2	56	35
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(C(F)(F)F)c2)CC1	ZINC000852178798	GH	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc(C(F)(F)F)c2)CC1	ZINC000852178798	GH	On-Demand	Anodyne	PDS	41	37
COc1ccc(OCCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178804	GF	On-Demand	Anodyne	MMP13	19	41
COc1ccc(OCCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178804	GF	On-Demand	Anodyne	ADAM17	16	44
COc1ccc(OCCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178804	GF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccccn2)CC1	ZINC000852178806	DD	On-Demand	Anodyne	GPR119	36	47
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)NCc2ccccc2)CC1	ZINC000852178812	GD	On-Demand	Anodyne	GPR119	29	40
COCCN(CCF)C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	ZINC000852178823	GE	On-Demand	Anodyne	CCR2	48	36
CC(C)(C)OC(=O)N1CCC(CO)(NCCC2CCCC2)CC1	ZINC000852178835	EF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000852178838	GD	On-Demand	Mild	MCHR1	36	43
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000852178838	GD	On-Demand	Mild	GPR119	24	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc3ccccc23)CC1	ZINC000852178844	FH	On-Demand	Anodyne	ADAM17	16	45
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc3ccccc23)CC1	ZINC000852178844	FH	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cccc3ccccc23)CC1	ZINC000852178844	FH	On-Demand	Anodyne	Q6PRC7_IXORI	46	43
Cc1ccc(CNC(=O)CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178846	GD	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc3ccccc3nc2O)CC1	ZINC000852178848	GF	On-Demand	Anodyne	ADAM17	24	48
CCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852178853	DF	On-Demand	Clean	MTNR1A	21	49
CCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852178853	DF	On-Demand	Clean	MTNR1B	22	49
CCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852178853	DF	On-Demand	Clean	EPHX2	22	44
CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852178854	DF	On-Demand	Clean	MTNR1A	21	49
CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852178854	DF	On-Demand	Clean	MTNR1B	22	49
CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852178854	DF	On-Demand	Clean	EPHX2	22	44
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)OCc2ccccc2)CC1	ZINC000852178856	GE	On-Demand	Anodyne	GHRHR	53	35
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)OCc2ccccc2)CC1	ZINC000852178856	GE	On-Demand	Anodyne	Q6PRC7_IXORI	30	42
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)OCc2ccccc2)CC1	ZINC000852178856	GE	On-Demand	Anodyne	SLC12A5	69	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(-n3cccn3)cc2)CC1	ZINC000852178858	GF	On-Demand	Anodyne	AMP1_PLAFQ	36	41
CC(C)(C)OC(=O)N1CCC(CO)(NCC[C@@H]2CCOC2=O)CC1	ZINC000852178870	ED	On-Demand	Anodyne	GPR119	23	42
CC(C)(C)OC(=O)N1CCC(CO)(NCC[C@H]2CCOC2=O)CC1	ZINC000852178871	ED	On-Demand	Anodyne	GPR119	23	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2ccc3c(c2)CCO3)CC1	ZINC000852178898	GF	On-Demand	Anodyne	GPR119	19	45
CC(C)(C)OC(=O)N1CCC(CO)(NCc2nc(N)c3ccccc3n2)CC1	ZINC000852178900	GE	On-Demand	Anodyne	ADAM17	19	46
CC(C)(C)OC(=O)N1CCC(CO)(NCCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000852178903	GE	On-Demand	Bother	HRH2	19	41
CC(C)(C)OC(=O)N1CCC(CO)(NCCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000852178903	GE	On-Demand	Bother	CACNA1D	61	37
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2cccc(F)c2)CC1	ZINC000852178905	FE	On-Demand	Anodyne	GPR119	22	47
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2cccc(F)c2)CC1	ZINC000852178906	FE	On-Demand	Anodyne	GPR119	22	47
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc3ccccc3n2)CC1	ZINC000852178915	FG	On-Demand	Anodyne	CYSLTR1	43	39
CC(C)(C)OC(=O)N1CCC(CO)(NCCOc2ccccc2C#N)CC1	ZINC000852178921	GE	On-Demand	Mild	ADRB1	43	33
CC(C)(C)OC(=O)N1CCC(CO)(NCCc2c(F)cccc2Cl)CC1	ZINC000852178932	GG	On-Demand	Anodyne	GPR119	24	44
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOc2cccc(C#N)c2)CC1	ZINC000852178933	GF	On-Demand	Mild	HRH2	26	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(OCC#N)cc2)CC1	ZINC000852178936	GE	On-Demand	Mild	ADAM17	22	47
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(OCC#N)cc2)CC1	ZINC000852178936	GE	On-Demand	Mild	GPR119	37	53
CC(C)(C)OC(=O)N1CCC(CO)(NCCCC2CCCC2)CC1	ZINC000852178958	EG	On-Demand	Anodyne	GPR119	26	45
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2c(F)cccc2F)CC1	ZINC000852178962	GE	On-Demand	Anodyne	GPR119	30	46
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2c(F)cccc2F)CC1	ZINC000852178963	GE	On-Demand	Anodyne	GPR119	30	46
CSc1ccc(OCCNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000852178973	GG	On-Demand	Anodyne	GPR119	33	44
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2cc(F)ccc2F)CC1	ZINC000852178980	GE	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(F)c(F)c2)CC1	ZINC000852178983	FF	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCC(CO)(NCC(=O)Nc2ccccc2)CC1	ZINC000852178986	FD	On-Demand	Anodyne	GPR119	31	40
Cc1cccc(CNC(=O)CNC2(CO)CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852178999	GD	On-Demand	Anodyne	GPR119	23	44
CC(C)(C)OC(=O)N1CCC(CO)(NCCCc2ccc(Cl)cc2)CC1	ZINC000852179001	GH	On-Demand	Anodyne	GHRHR	40	32
C[C@@H](CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1	ZINC000852179004	EG	On-Demand	Anodyne	GHRHR	55	31
C[C@@H](CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1	ZINC000852179004	EG	On-Demand	Anodyne	GPR119	30	42
CC(C)(C)OC(=O)N1CCC(CO)(NCCS(=O)(=O)c2ccccc2)CC1	ZINC000852179026	GD	On-Demand	Anodyne	GPR119	39	41
CC(C)(C)OC(=O)N1CCC(CO)(NCCS(=O)(=O)c2ccccc2)CC1	ZINC000852179026	GD	On-Demand	Anodyne	SFRP1	28	40
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(F)ccc2F)CC1	ZINC000852179037	FF	On-Demand	Anodyne	DPP4	15	46
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(F)ccc2F)CC1	ZINC000852179037	FF	On-Demand	Anodyne	GPR119	42	57
CC(C)(C)OC(=O)N1CCC(CO)(NCc2ccc(C(N)=O)cc2)CC1	ZINC000852179046	FD	On-Demand	Anodyne	GPR119	34	48
CC(C)(C)OC(=O)N1CCC(CO)(NCc2nc(O)c3ccccc3n2)CC1	ZINC000852179054	GE	On-Demand	Anodyne	ADAM17	19	47
CC(C)(C)OC(=O)N1CCC(CO)(NCc2nc(O)c3ccccc3n2)CC1	ZINC000852179054	GE	On-Demand	Anodyne	TNKS	41	31
CC(C)(C)OC(=O)N1CCC(CO)(NCc2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000852179062	GF	On-Demand	Bother	GPR119	24	44
CC(C)(C)OC(=O)N1CCC(CO)(NCCSc2ccccc2F)CC1	ZINC000852179068	GG	On-Demand	Anodyne	GHRHR	46	30
CC(C)(C)OC(=O)N1CCC(CO)(NCCSc2ccccc2F)CC1	ZINC000852179068	GG	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2cccc(Cl)c2)CC1	ZINC000852179082	GF	On-Demand	Anodyne	ADRB1	32	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2cccc(Cl)c2)CC1	ZINC000852179082	GF	On-Demand	Anodyne	ADRB3	54	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2cccc(Cl)c2)CC1	ZINC000852179082	GF	On-Demand	Anodyne	CYP3A4	44	35
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2cccc(Cl)c2)CC1	ZINC000852179083	GF	On-Demand	Anodyne	ADRB1	32	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2cccc(Cl)c2)CC1	ZINC000852179083	GF	On-Demand	Anodyne	ADRB3	54	43
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2cccc(Cl)c2)CC1	ZINC000852179083	GF	On-Demand	Anodyne	CYP3A4	44	35
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@H](O)c2ccc(F)cc2F)CC1	ZINC000852179084	GE	On-Demand	Anodyne	GPR119	28	48
CC(C)(C)OC(=O)N1CCC(CO)(NC[C@@H](O)c2ccc(F)cc2F)CC1	ZINC000852179085	GE	On-Demand	Anodyne	GPR119	28	48
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOc2cccc(Cl)c2)CC1	ZINC000852179092	GG	On-Demand	Anodyne	HRH2	26	41
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOc2cccc(Cl)c2)CC1	ZINC000852179092	GG	On-Demand	Anodyne	EPHX2	15	44
CC(C)(C)OC(=O)N1CCC(CO)(NCCCOc2cccc(Cl)c2)CC1	ZINC000852179092	GG	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CCC(CO)(NCCOc2ccccc2)CC1	ZINC000852179095	FE	On-Demand	Anodyne	ADAM17	15	45
CC(C)(C)OC(=O)NCCN(Cc1ccc2c(c1)OCCO2)C[C@H](O)CO	ZINC000852179295	GD	On-Demand	Anodyne	BMP1	29	42
CC(C)(C)OC(=O)NCCN(Cc1ccc2c(c1)OCCO2)C[C@@H](O)CO	ZINC000852179296	GD	On-Demand	Anodyne	BMP1	29	42
CC(C)(C)OC(=O)NCCN(Cc1cccc(C#N)c1F)C[C@H](O)CO	ZINC000852179410	FD	On-Demand	Mild	ADRB1	40	33
CC(C)(C)OC(=O)NCCN(Cc1cccc(C#N)c1F)C[C@H](O)CO	ZINC000852179410	FD	On-Demand	Mild	PAPA1_CARPA	34	42
CC(C)(C)OC(=O)NCCN(Cc1cccc(C#N)c1F)C[C@@H](O)CO	ZINC000852179411	FD	On-Demand	Mild	ADRB1	40	33
CC(C)(C)OC(=O)NCCN(Cc1cccc(C#N)c1F)C[C@@H](O)CO	ZINC000852179411	FD	On-Demand	Mild	PAPA1_CARPA	34	42
CC[C@@H](CNC(=O)NCC1SCCS1)Oc1cccc(F)c1	ZINC000852179415	EG	On-Demand	Anodyne	PDS	50	42
COC(=O)C1(N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CC2)CCC1	ZINC000852179468	EF	On-Demand	Bother	SLC27A4	43	33
CC[C@@H](CNC(=O)NCCC1SCCS1)Oc1cccc(F)c1	ZINC000852179470	FG	On-Demand	Anodyne	PDS	41	41
CC(C)(C)OC(=O)NCCN(Cc1cccc(F)c1F)C[C@@H](O)CO	ZINC000852179524	FD	On-Demand	Anodyne	PAPA1_CARPA	28	43
CC(C)(C)OC(=O)NCCN(Cc1cccc(F)c1F)C[C@H](O)CO	ZINC000852179525	FD	On-Demand	Anodyne	PAPA1_CARPA	28	43
CC[C@@H](CNC(=O)N(CCF)CCOC)Oc1cccc(F)c1	ZINC000852179531	EF	On-Demand	Anodyne	PDS	53	42
CC(C)(C)OC(=O)NCCN(Cc1ccc2ccccc2c1)C[C@H](O)CO	ZINC000852179539	FF	On-Demand	Anodyne	PAPA1_CARPA	28	50
CC(C)(C)OC(=O)NCCN(Cc1ccc2ccccc2c1)C[C@@H](O)CO	ZINC000852179540	FF	On-Demand	Anodyne	PAPA1_CARPA	28	50
COC(=O)C1(N(Cc2cccc([N+](=O)[O-])c2Br)C2CC2)CCC1	ZINC000852179575	GG	On-Demand	Bother	COLA	111	34
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](O)CO	ZINC000852179578	DD	On-Demand	Anodyne	CTSB	20	45
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](O)CO	ZINC000852179578	DD	On-Demand	Anodyne	PAPA1_CARPA	43	43
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](O)CO	ZINC000852179578	DD	On-Demand	Anodyne	TACR3	17	40
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@H](O)CO	ZINC000852179578	DD	On-Demand	Anodyne	FPR1	46	36
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](O)CO	ZINC000852179579	DD	On-Demand	Anodyne	CTSB	20	45
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](O)CO	ZINC000852179579	DD	On-Demand	Anodyne	PAPA1_CARPA	43	43
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](O)CO	ZINC000852179579	DD	On-Demand	Anodyne	TACR3	17	40
CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C[C@@H](O)CO	ZINC000852179579	DD	On-Demand	Anodyne	FPR1	46	36
CC(C)(C)OC(=O)NCCN(Cc1ccccc1F)C[C@H](O)CO	ZINC000852179588	ED	On-Demand	Anodyne	PAPA1_CARPA	31	47
CC(C)(C)OC(=O)NCCN(Cc1ccccc1F)C[C@@H](O)CO	ZINC000852179589	ED	On-Demand	Anodyne	PAPA1_CARPA	31	47
COC(=O)C1(N(CC[C@H](O)c2ccccc2)C2CC2)CCC1	ZINC000852179592	DF	On-Demand	Anodyne	AMY2	46	31
COC(=O)C1(N(CC[C@@H](O)c2ccccc2)C2CC2)CCC1	ZINC000852179593	DF	On-Demand	Anodyne	AMY2	46	31
CCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCC1	ZINC000852179686	CD	On-Demand	Reactive	HCN1	51	32
CCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCC1	ZINC000852179686	CD	On-Demand	Reactive	HCN4	49	32
CCN1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852179776	CC	On-Demand	Anodyne	SSTR5	50	37
CCN1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852179776	CC	On-Demand	Anodyne	EPHX2	37	42
CCN1CCC(NC(=O)N[C@H]2COC3(CCC3)C2)CC1	ZINC000852179777	CD	On-Demand	Anodyne	EPHX2	18	44
CCN1CCC(NC(=O)N[C@@H]2COC3(CCC3)C2)CC1	ZINC000852179778	CD	On-Demand	Anodyne	EPHX2	18	44
CCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852179783	EF	On-Demand	Anodyne	DRD4	22	47
CCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852179783	EF	On-Demand	Anodyne	SIGMAR1	20	50
CCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852179783	EF	On-Demand	Anodyne	EPHX2	29	40
CCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852179783	EF	On-Demand	Anodyne	CCR8	46	36
CCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852179784	EF	On-Demand	Anodyne	DRD4	22	47
CCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852179784	EF	On-Demand	Anodyne	SIGMAR1	20	50
CCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852179784	EF	On-Demand	Anodyne	EPHX2	29	40
CCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852179784	EF	On-Demand	Anodyne	CCR8	46	36
COc1ccc(N2CC[C@H](NC(=O)NCC3(N(C)C)CCCC3)C2)cc1	ZINC000852179832	FE	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(N(C)C)CCCC3)C2)cc1	ZINC000852179832	FE	On-Demand	Clean	MTNR1B	20	45
CCN1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852179849	FD	On-Demand	Anodyne	HTR4	25	42
CCN1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852179849	FD	On-Demand	Anodyne	EPHX2	37	40
CCN1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852179849	FD	On-Demand	Anodyne	PDK1	42	35
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	DRD4	28	46
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	HTR4	25	44
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	SIGMAR1	26	50
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	CCR3	25	42
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	MTNR1A	18	53
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	MTNR1B	18	53
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	SLC6A5	31	44
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	EPHX2	37	50
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	PDK1	42	35
CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179984	EE	On-Demand	Clean	MCHR1	28	44
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	DRD4	28	46
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	HTR4	25	44
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	SIGMAR1	26	50
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	CCR3	25	42
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	MTNR1A	18	53
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	MTNR1B	18	53
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	SLC6A5	31	44
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	EPHX2	37	50
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	PDK1	42	35
CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852179985	EE	On-Demand	Clean	MCHR1	28	44
CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C[C@H](O)CO	ZINC000852179991	FE	On-Demand	Anodyne	CTSL	15	40
CC(C)(C)OC(=O)NCCN(Cc1cccc(Cl)c1)C[C@@H](O)CO	ZINC000852179995	FE	On-Demand	Anodyne	CTSL	15	40
CCN1CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852180008	ED	On-Demand	Anodyne	EPHX2	30	40
CCN1CCC(NC(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852180009	ED	On-Demand	Anodyne	EPHX2	30	40
CC[C@@H](CNC(=O)NCCN(C)C(=O)OC)Oc1cccc(F)c1	ZINC000852180036	ED	On-Demand	Anodyne	PDS	60	42
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(C)C)CC3)C2)cc1	ZINC000852180048	EG	On-Demand	Clean	MTNR1A	21	46
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(C)C)CC3)C2)cc1	ZINC000852180048	EG	On-Demand	Clean	MTNR1B	20	46
CCN1CCC(NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1	ZINC000852180066	FF	On-Demand	Anodyne	CTSK	15	40
CCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180098	FF	On-Demand	Anodyne	HTR4	23	42
CCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180098	FF	On-Demand	Anodyne	ADRB3	20	43
CCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180098	FF	On-Demand	Anodyne	TACR2	56	39
CCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180098	FF	On-Demand	Anodyne	SIGMAR1	18	46
CCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180098	FF	On-Demand	Anodyne	EPHX2	31	49
CCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180098	FF	On-Demand	Anodyne	MCHR1	16	43
CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180099	FF	On-Demand	Anodyne	HTR4	23	42
CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180099	FF	On-Demand	Anodyne	ADRB3	20	43
CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180099	FF	On-Demand	Anodyne	TACR2	56	39
CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180099	FF	On-Demand	Anodyne	SIGMAR1	18	46
CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180099	FF	On-Demand	Anodyne	EPHX2	31	49
CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852180099	FF	On-Demand	Anodyne	MCHR1	16	43
CC[C@@H](CNC(=O)NCc1ncccn1)Oc1cccc(F)c1	ZINC000852180123	DE	On-Demand	Anodyne	PDS	83	48
CC(C)(C)OC(=O)NCCN(Cc1cccc2ccccc12)C[C@@H](O)CO	ZINC000852180132	FF	On-Demand	Anodyne	NQO2	21	47
CC(C)(C)OC(=O)NCCN(Cc1cccc2ccccc12)C[C@H](O)CO	ZINC000852180133	FF	On-Demand	Anodyne	NQO2	21	47
CC[C@@H](CNC(=O)NCC[S@@](=O)CC(F)(F)F)Oc1cccc(F)c1	ZINC000852180134	GF	On-Demand	Anodyne	PDS	55	40
CC[C@@H](CNC(=O)NCC[S@](=O)CC(F)(F)F)Oc1cccc(F)c1	ZINC000852180135	GF	On-Demand	Anodyne	PDS	55	40
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)cc1F	ZINC000852180139	EF	On-Demand	Anodyne	CACNA1H	32	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C)CC3)C2)cc1	ZINC000852180154	ED	On-Demand	Clean	MTNR1A	19	50
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C)CC3)C2)cc1	ZINC000852180154	ED	On-Demand	Clean	MTNR1B	20	50
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C)CC3)C2)cc1	ZINC000852180154	ED	On-Demand	Clean	SLC6A5	32	41
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C)CC3)C2)cc1	ZINC000852180154	ED	On-Demand	Clean	EPHX2	41	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C)CC3)C2)cc1	ZINC000852180154	ED	On-Demand	Clean	MCHR1	16	43
CCN1CCC(NC(=O)NCc2ccc(N3CCCNC3=O)cc2)CC1	ZINC000852180168	FD	On-Demand	Anodyne	EPHX2	16	41
CCN1CCC(NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852180178	BD	On-Demand	Anodyne	EPHX2	34	41
CCN1CCC(NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852180179	BD	On-Demand	Anodyne	EPHX2	34	41
CC(C)(C)OC(=O)NCCN(Cc1ccccc1C#N)C[C@H](O)CO	ZINC000852180249	ED	On-Demand	Mild	ADRB1	40	32
CC(C)(C)OC(=O)NCCN(Cc1ccccc1C#N)C[C@H](O)CO	ZINC000852180249	ED	On-Demand	Mild	PAPA1_CARPA	37	41
CC(C)(C)OC(=O)NCCN(Cc1ccccc1C#N)C[C@@H](O)CO	ZINC000852180250	ED	On-Demand	Mild	ADRB1	40	32
CC(C)(C)OC(=O)NCCN(Cc1ccccc1C#N)C[C@@H](O)CO	ZINC000852180250	ED	On-Demand	Mild	PAPA1_CARPA	37	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccc(F)cc3F)C2)cc1	ZINC000852180254	GH	On-Demand	Clean	CCR3	26	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccc(F)cc3F)C2)cc1	ZINC000852180254	GH	On-Demand	Clean	MCHR1	15	40
CC(C)(C)OC(=O)NCCN(Cc1ccc(F)cc1)C[C@H](O)CO	ZINC000852180262	ED	On-Demand	Anodyne	PAPA1_CARPA	28	44
CC(C)(C)OC(=O)NCCN(Cc1ccc(F)cc1)C[C@@H](O)CO	ZINC000852180263	ED	On-Demand	Anodyne	PAPA1_CARPA	28	44
CO[C@@H](C)c1nc(CNC(=O)NNc2ccc(Cl)cn2)cs1	ZINC000852180298	EF	On-Demand	Reactive	F10	50	33
CCN1CCC(NC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)CC1	ZINC000852180367	GF	On-Demand	Anodyne	EPHX2	40	40
CC[C@@H](CNC(=O)N[C@H]1C=CCC1)Oc1cccc(F)c1	ZINC000852180453	CG	On-Demand	Anodyne	PDS	60	43
CC[C@@H](CNC(=O)N[C@@H]1C=CCC1)Oc1cccc(F)c1	ZINC000852180454	CG	On-Demand	Anodyne	PDS	60	43
CC[C@@H](CNC(=O)N1CCC(NC(=O)OC)CC1)Oc1cccc(F)c1	ZINC000852180461	FF	On-Demand	Anodyne	PDS	50	41
COC(=O)C1(N(C[C@H](O)c2cccnc2)C2CC2)CCC1	ZINC000852180473	CD	On-Demand	Anodyne	ADRB3	50	41
COC(=O)C1(N(C[C@H](O)c2cccnc2)C2CC2)CCC1	ZINC000852180473	CD	On-Demand	Anodyne	KCNA5	20	40
COC(=O)C1(N(C[C@@H](O)c2cccnc2)C2CC2)CCC1	ZINC000852180474	CD	On-Demand	Anodyne	ADRB3	50	41
COC(=O)C1(N(C[C@@H](O)c2cccnc2)C2CC2)CCC1	ZINC000852180474	CD	On-Demand	Anodyne	KCNA5	20	40
CC[C@@H](CNC(=O)NCc1ncccn1)Oc1ccccc1C(F)(F)F	ZINC000852180496	FG	On-Demand	Anodyne	PDS	53	34
COc1ccc(N2CC[C@H](NC(=O)NCc3csc([C@H](C)OC)n3)C2)cc1	ZINC000852180497	GF	On-Demand	Clean	NPBWR1	60	33
COc1ccc(N2CC[C@H](NC(=O)NCc3csc([C@@H](C)OC)n3)C2)cc1	ZINC000852180499	GF	On-Demand	Clean	NPBWR1	60	33
CC[C@@H](CNC(=O)N(C)CCN(C)C(=O)OC)Oc1cccc(F)c1	ZINC000852180509	FE	On-Demand	Anodyne	PDS	66	44
CCN1CCC(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)CC1	ZINC000852180551	EF	On-Demand	Anodyne	MC4R	22	40
CCN1CCC(NC(=O)NCCS(=O)(=O)CC(F)(F)F)CC1	ZINC000852180583	EC	On-Demand	Anodyne	EPHX2	26	40
CCN1CCC(NC(=O)NCC2SCCS2)CC1	ZINC000852180598	CD	On-Demand	Anodyne	EPHX2	24	44
CCN1CCC(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	ZINC000852180605	GD	On-Demand	Clean	MCHR1	15	49
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCN(C)CC2)O1	ZINC000852180624	GC	On-Demand	Reactive	CHRM1	15	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCN(C)CC2)O1	ZINC000852180624	GC	On-Demand	Reactive	DRD4	38	50
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCN(C)CC2)O1	ZINC000852180624	GC	On-Demand	Reactive	ACHE	21	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCN(C)CC2)O1	ZINC000852180624	GC	On-Demand	Reactive	CHRM3	16	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCN(C)CC2)O1	ZINC000852180624	GC	On-Demand	Reactive	SIGMAR1	37	48
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCN(C)CC2)O1	ZINC000852180624	GC	On-Demand	Reactive	EPHX2	15	43
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CCN(C)CC2)O1	ZINC000852180624	GC	On-Demand	Reactive	MCHR1	18	40
CC(C)(C)OC(=O)NCCN(Cc1ccc(F)cc1C#N)C[C@H](O)CO	ZINC000852180700	FD	On-Demand	Mild	PAPA1_CARPA	29	40
CC(C)(C)OC(=O)NCCN(Cc1ccc(F)cc1C#N)C[C@@H](O)CO	ZINC000852180701	FD	On-Demand	Mild	PAPA1_CARPA	29	40
CC(C)(C)OC(=O)NCCN(Cc1cccc(F)c1)C[C@H](O)CO	ZINC000852180718	ED	On-Demand	Anodyne	PAPA1_CARPA	28	50
CC(C)(C)OC(=O)NCCN(Cc1cccc(F)c1)C[C@@H](O)CO	ZINC000852180719	ED	On-Demand	Anodyne	PAPA1_CARPA	28	50
CCC1(CNC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)CCC1	ZINC000852180726	GE	On-Demand	Reactive	NPFFR1	41	39
CCC1(CNC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)CCC1	ZINC000852180726	GE	On-Demand	Reactive	HCN1	40	31
CCC1(CNC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)CCC1	ZINC000852180726	GE	On-Demand	Reactive	HCN4	40	31
CC(C)(C)OC(=O)NCCN(Cc1cccc(C#N)c1)C[C@H](O)CO	ZINC000852180809	ED	On-Demand	Mild	PAPA1_CARPA	36	41
CC(C)(C)OC(=O)NCCN(Cc1cccc(C#N)c1)C[C@@H](O)CO	ZINC000852180810	ED	On-Demand	Mild	PAPA1_CARPA	36	41
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCC1	ZINC000852180811	CC	On-Demand	Reactive	HCN1	59	35
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCC1	ZINC000852180811	CC	On-Demand	Reactive	HCN4	50	32
CC(C)(C)OC(=O)NCCN(Cc1cccc(F)c1Cl)C[C@@H](O)CO	ZINC000852180827	GE	On-Demand	Anodyne	PAPA1_CARPA	27	40
CC(C)(C)OC(=O)NCCN(Cc1cccc(F)c1Cl)C[C@H](O)CO	ZINC000852180828	GE	On-Demand	Anodyne	PAPA1_CARPA	27	40
CC(C)(C)OC(=O)NCCN(CC#N)C[C@H](O)CO	ZINC000852180829	CB	On-Demand	Mild	PAPA1_CARPA	32	40
CC(C)(C)OC(=O)NCCN(CC#N)C[C@@H](O)CO	ZINC000852180830	CB	On-Demand	Mild	PAPA1_CARPA	32	40
COC(=O)C1(N(C[C@](O)(C(N)=O)c2ccccc2)C2CC2)CCC1	ZINC000852180837	EC	On-Demand	Anodyne	AMY2	50	34
COC(=O)C1(N(C[C@@](O)(C(N)=O)c2ccccc2)C2CC2)CCC1	ZINC000852180838	EC	On-Demand	Anodyne	AMY2	50	34
CC(C)(C)OC(=O)NCCN(Cc1cc(C#N)ccc1F)C[C@H](O)CO	ZINC000852180845	FD	On-Demand	Mild	PAPA1_CARPA	31	41
CC(C)(C)OC(=O)NCCN(Cc1cc(C#N)ccc1F)C[C@@H](O)CO	ZINC000852180846	FD	On-Demand	Mild	PAPA1_CARPA	31	41
CCN1CCC(NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852180879	DC	On-Demand	Reactive	SSTR5	42	34
CCN1CCC(NC(=O)N2CCC(NC(=O)OC)CC2)CC1	ZINC000852180918	DD	On-Demand	Anodyne	EPHX2	21	40
CC(C)(C)OC(=O)NCCN(Cc1ccsc1)C[C@@H](O)CO	ZINC000852180928	ED	On-Demand	Anodyne	PAPA1_CARPA	32	47
CC(C)(C)OC(=O)NCCN(Cc1ccsc1)C[C@H](O)CO	ZINC000852180929	ED	On-Demand	Anodyne	PAPA1_CARPA	32	47
CCN1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852180930	FD	On-Demand	Clean	EPHX2	27	42
CCN1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852180930	FD	On-Demand	Clean	MCHR1	19	52
CCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852181008	CD	On-Demand	Reactive	HTR4	16	41
CCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852181008	CD	On-Demand	Reactive	F10	31	41
CCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852181008	CD	On-Demand	Reactive	SIGMAR1	15	40
CCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852181008	CD	On-Demand	Reactive	SSTR5	43	38
CCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852181008	CD	On-Demand	Reactive	SLC6A5	28	44
CCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852181008	CD	On-Demand	Reactive	EPHX2	34	43
CCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852181008	CD	On-Demand	Reactive	MCHR1	17	42
CCN1CCC(NC(=O)NCCC2SCCS2)CC1	ZINC000852181025	DD	On-Demand	Anodyne	EPHX2	19	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCOCC3)C2)cc1	ZINC000852181074	EE	On-Demand	Clean	MMP13	41	41
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCOCC3)C2)cc1	ZINC000852181074	EE	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCOCC3)C2)cc1	ZINC000852181074	EE	On-Demand	Clean	MTNR1B	20	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(C)CCOCC3)C2)cc1	ZINC000852181074	EE	On-Demand	Clean	MMP3	31	40
Fc1cccc(CN2CCC(OC3CCC3)CC2)n1	ZINC000852181106	CF	On-Demand	Anodyne	SCN5A	79	38
O=C(NCCn1ccnc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852181126	EE	On-Demand	Anodyne	TBXAS1	54	42
O=C(NCCn1ccnc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852181126	EE	On-Demand	Anodyne	HMOX2	45	32
O=C(NCCn1ccnc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852181126	EE	On-Demand	Anodyne	QPCT	28	41
O=C(NCCn1ccnc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852181127	EE	On-Demand	Anodyne	TBXAS1	54	42
O=C(NCCn1ccnc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852181127	EE	On-Demand	Anodyne	HMOX2	45	32
O=C(NCCn1ccnc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852181127	EE	On-Demand	Anodyne	QPCT	28	41
CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852181129	GG	On-Demand	Anodyne	DRD4	22	44
CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852181129	GG	On-Demand	Anodyne	SIGMAR1	15	41
CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852181129	GG	On-Demand	Anodyne	CCR3	51	37
CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852181129	GG	On-Demand	Anodyne	EPHX2	45	42
CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852181129	GG	On-Demand	Anodyne	CXCR3	22	44
CCN1CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852181129	GG	On-Demand	Anodyne	MCHR1	29	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN3CCCCC3)C2)cc1	ZINC000852181167	FE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN3CCCCC3)C2)cc1	ZINC000852181167	FE	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN3CCCCC3)C2)cc1	ZINC000852181167	FE	On-Demand	Clean	BIRC2	37	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CN3CCCCC3)C2)cc1	ZINC000852181168	FE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CN3CCCCC3)C2)cc1	ZINC000852181168	FE	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CN3CCCCC3)C2)cc1	ZINC000852181168	FE	On-Demand	Clean	BIRC2	37	43
COC(=O)N(C)CCNC(=O)NCc1cccc(O)c1	ZINC000852181252	CC	On-Demand	Anodyne	HSD17B2	29	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1	ZINC000852181256	EE	On-Demand	Clean	DRD2	15	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1	ZINC000852181256	EE	On-Demand	Clean	DRD4	42	35
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1	ZINC000852181256	EE	On-Demand	Clean	SIGMAR1	24	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1	ZINC000852181256	EE	On-Demand	Clean	MMP13	38	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1	ZINC000852181256	EE	On-Demand	Clean	MTNR1A	34	52
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1	ZINC000852181256	EE	On-Demand	Clean	MTNR1B	28	52
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1	ZINC000852181256	EE	On-Demand	Clean	EPHX2	17	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)cc1	ZINC000852181256	EE	On-Demand	Clean	MCHR1	24	49
CC(=O)c1cccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)c1	ZINC000852181258	FH	On-Demand	Mild	TAAR1	21	42
CC(=O)c1cccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)c1	ZINC000852181258	FH	On-Demand	Mild	AKR1C3	15	40
CC(=O)c1cccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)c1	ZINC000852181258	FH	On-Demand	Mild	KCNK3	69	41
CC(=O)c1cccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)c1	ZINC000852181258	FH	On-Demand	Mild	KCNK9	62	39
Cc1nc(CN2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c(C)o1	ZINC000852181273	FH	On-Demand	Anodyne	PDE8B	55	33
Cc1nc(CN2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)c(C)o1	ZINC000852181274	FH	On-Demand	Anodyne	PDE8B	55	33
NC(=O)[C@@](O)(CN1CCC(OC2CCC2)CC1)c1ccccc1	ZINC000852181275	DD	On-Demand	Anodyne	CHRM2	33	46
NC(=O)[C@@](O)(CN1CCC(OC2CCC2)CC1)c1ccccc1	ZINC000852181275	DD	On-Demand	Anodyne	CHRM3	59	46
NC(=O)[C@@](O)(CN1CCC(OC2CCC2)CC1)c1ccccc1	ZINC000852181275	DD	On-Demand	Anodyne	AMY2	53	31
NC(=O)[C@@](O)(CN1CCC(OC2CCC2)CC1)c1ccccc1	ZINC000852181275	DD	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@](O)(CN1CCC(OC2CCC2)CC1)c1ccccc1	ZINC000852181276	DD	On-Demand	Anodyne	CHRM2	33	46
NC(=O)[C@](O)(CN1CCC(OC2CCC2)CC1)c1ccccc1	ZINC000852181276	DD	On-Demand	Anodyne	CHRM3	59	46
NC(=O)[C@](O)(CN1CCC(OC2CCC2)CC1)c1ccccc1	ZINC000852181276	DD	On-Demand	Anodyne	AMY2	53	31
NC(=O)[C@](O)(CN1CCC(OC2CCC2)CC1)c1ccccc1	ZINC000852181276	DD	On-Demand	Anodyne	CYP2J2	48	34
Fc1ccc(F)c(C[C@H]2CCCN2CCOC(F)F)c1	ZINC000852181330	CG	On-Demand	Anodyne	SLC6A3	15	40
Fc1ccc(F)c(C[C@@H]2CCCN2CCOC(F)F)c1	ZINC000852181331	CG	On-Demand	Anodyne	SLC6A3	15	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc(O)c1	ZINC000852181356	FE	On-Demand	Clean	STAT6	24	40
O=C(NCCN1CCSCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852181365	FE	On-Demand	Anodyne	PLD2	48	33
O=C(NCCN1CCSCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852181366	FE	On-Demand	Anodyne	PLD2	48	33
COc1ccc(N2CC[C@H](NC(=O)NCC3CCOCC3)C2)cc1	ZINC000852181402	ED	On-Demand	Clean	MTNR1A	22	48
COc1ccc(N2CC[C@H](NC(=O)NCC3CCOCC3)C2)cc1	ZINC000852181402	ED	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)NCC3CCOCC3)C2)cc1	ZINC000852181402	ED	On-Demand	Clean	EPHX2	15	43
COc1ccc(N2CC[C@H](NC(=O)NCC3CCOCC3)C2)cc1	ZINC000852181402	ED	On-Demand	Clean	PDK1	45	33
CC(C)(C)OC(=O)NCC1(O)CCN(CC[C@H]2CCc3ccccc32)CC1	ZINC000852181431	FG	On-Demand	Anodyne	EBP	20	45
CC(C)(C)OC(=O)NCC1(O)CCN(CC[C@@H]2CCc3ccccc32)CC1	ZINC000852181433	FG	On-Demand	Anodyne	EBP	20	45
COCCCCN(C)CC(=O)Nc1ccc(Cl)nc1	ZINC000852181473	CE	On-Demand	Anodyne	LTA4H	25	42
CC(C)(C)OC(=O)N1C[C@@H]2OCCN(CC(=O)Nc3cnccn3)[C@@H]2C1	ZINC000852181475	FC	On-Demand	Anodyne	GPR119	20	42
COC(=O)c1nc(CNC(=O)NC[C@H]2CCN(C3CC3)C2)ccc1Cl	ZINC000852181506	FD	On-Demand	Anodyne	CCR3	23	42
COCCN(CCF)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1	ZINC000852181521	FD	On-Demand	Anodyne	CASR	40	41
CC(C)(C)OC(=O)NCC1(O)CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852181546	DD	On-Demand	Anodyne	SLC18A3	22	40
O=C(NCCN1CCSCC1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852181556	GD	On-Demand	Anodyne	PLD2	42	35
CC(C)(C)OC(=O)N1C[C@@H]2OCCN(CCc3ccc(C#N)cc3)[C@@H]2C1	ZINC000852181581	FE	On-Demand	Mild	GPR119	22	47
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	DRD2	19	48
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	ADRA1A	44	38
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	DRD3	27	40
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	SIGMAR1	17	52
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	CTSK	21	43
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	GHSR	37	40
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	CAPN2	50	35
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	FPR1	41	34
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	NPR	52	34
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	NPFFR1	45	37
CC(C)(C)OC(=O)NCC1(O)CCN(CCOCc2ccccc2)CC1	ZINC000852181588	FF	On-Demand	Anodyne	SLC12A5	62	35
CCN(CCN1CCOC1=O)c1cccc(C(F)(F)F)c1	ZINC000852181589	DF	On-Demand	Anodyne	GALR3	45	31
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@H]1Cc1cc(F)ccc1F	ZINC000852181639	GH	On-Demand	Anodyne	ACKR3	46	33
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@H]1Cc1cc(F)ccc1F	ZINC000852181641	GH	On-Demand	Anodyne	ACKR3	46	33
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H]1Cc1cc(F)ccc1F	ZINC000852181643	GH	On-Demand	Anodyne	ACKR3	46	33
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H]1Cc1cc(F)ccc1F	ZINC000852181645	GH	On-Demand	Anodyne	ACKR3	46	33
CC(C)(C)OC(=O)N1C[C@@H]2OCCN(Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1	ZINC000852181657	GF	On-Demand	Bother	GPR119	16	40
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	SCNN1A	43	36
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	SCN2A	18	44
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	HDAC8	19	43
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	MTNR1A	43	41
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	MTNR1B	41	42
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	PLA2G4B	33	43
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	FAAH	61	47
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	CES1	64	37
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	AMP1_PLAFQ	24	42
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	POLG_WNV	50	36
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	CRTM	72	45
O=C(COc1ccc(F)c(F)c1)NCCCCc1ccccc1	ZINC000852181669	DG	On-Demand	Anodyne	PDS	62	42
Cc1ccc(CC(C)(C)NCCOC(F)F)cc1	ZINC000852181717	CG	On-Demand	Anodyne	CASR	28	40
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCSCC3)C2)cc1	ZINC000852181745	FD	On-Demand	Clean	HTR1A	20	41
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCSCC3)C2)cc1	ZINC000852181745	FD	On-Demand	Clean	DRD4	50	41
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCSCC3)C2)cc1	ZINC000852181745	FD	On-Demand	Clean	DRD3	29	40
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCSCC3)C2)cc1	ZINC000852181745	FD	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCSCC3)C2)cc1	ZINC000852181745	FD	On-Demand	Clean	MCHR1	15	48
O=C(COc1ccc(F)c(F)c1)NCc1ccc(OCC(F)(F)F)cc1	ZINC000852181752	GH	On-Demand	Anodyne	PDS	52	38
O=C(NCCN1CCSCC1)NNc1ccc(Cl)cn1	ZINC000852181761	DD	On-Demand	Reactive	F10	30	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCc2cccc(O)c2)O1	ZINC000852181803	GD	On-Demand	Reactive	OPRM1	33	45
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCc2cccc(O)c2)O1	ZINC000852181803	GD	On-Demand	Reactive	OPRD1	22	41
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCc2cccc(O)c2)O1	ZINC000852181803	GD	On-Demand	Reactive	OPRK1	32	45
O=C(NCCn1ccnc1)N1CCn2ncc(Br)c2C1	ZINC000852181806	ED	On-Demand	Anodyne	TBXAS1	25	40
O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)NCC1(c2ccccc2)CC1	ZINC000852181820	HG	On-Demand	Anodyne	KCNA3	19	40
O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)NCC1(c2ccccc2)CC1	ZINC000852181823	HG	On-Demand	Anodyne	KCNA3	19	40
CC(C)(C)OC(=O)NCC1(O)CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852181826	EF	On-Demand	Mild	PTAFR	40	47
CC(C)(C)OC(=O)NCC1(O)CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852181826	EF	On-Demand	Mild	PAPA1_CARPA	38	40
CC(C)(C)OC(=O)NCC1(O)CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852181828	EF	On-Demand	Mild	PTAFR	40	47
CC(C)(C)OC(=O)NCC1(O)CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852181828	EF	On-Demand	Mild	PAPA1_CARPA	38	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)CN1CCCC1	ZINC000852181925	DD	On-Demand	Anodyne	AMY2	55	33
CC(C)(C)OC(=O)NCC1(O)CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852181934	GC	On-Demand	Anodyne	NPFFR1	42	35
CC(C)(C)OC(=O)NCC1(O)CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852181935	GC	On-Demand	Anodyne	NPFFR1	42	35
COC(=O)c1nc(CNC(=O)NCc2c(C)nn(C)c2C)ccc1Cl	ZINC000852181938	FD	On-Demand	Anodyne	P2RX7	23	44
CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852181942	FE	On-Demand	Anodyne	NPFFR1	40	34
NC(=O)[C@@](O)(CN1CCC[C@H]1Cc1cc(F)ccc1F)c1ccccc1	ZINC000852181998	FE	On-Demand	Anodyne	DPP4	18	42
NC(=O)[C@@](O)(CN1CCC[C@H]1Cc1cc(F)ccc1F)c1ccccc1	ZINC000852181998	FE	On-Demand	Anodyne	ACKR3	59	34
NC(=O)[C@](O)(CN1CCC[C@H]1Cc1cc(F)ccc1F)c1ccccc1	ZINC000852181999	FE	On-Demand	Anodyne	DPP4	18	42
NC(=O)[C@](O)(CN1CCC[C@H]1Cc1cc(F)ccc1F)c1ccccc1	ZINC000852181999	FE	On-Demand	Anodyne	ACKR3	59	34
NC(=O)[C@](O)(CN1CCC[C@@H]1Cc1cc(F)ccc1F)c1ccccc1	ZINC000852182002	FE	On-Demand	Anodyne	DPP4	18	42
NC(=O)[C@](O)(CN1CCC[C@@H]1Cc1cc(F)ccc1F)c1ccccc1	ZINC000852182002	FE	On-Demand	Anodyne	ACKR3	59	34
NC(=O)[C@@](O)(CN1CCC[C@@H]1Cc1cc(F)ccc1F)c1ccccc1	ZINC000852182004	FE	On-Demand	Anodyne	DPP4	18	42
NC(=O)[C@@](O)(CN1CCC[C@@H]1Cc1cc(F)ccc1F)c1ccccc1	ZINC000852182004	FE	On-Demand	Anodyne	ACKR3	59	34
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)[C@H](C)CN1CCO	ZINC000852182017	DB	On-Demand	Anodyne	CHRM3	21	41
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)[C@H](C)CN1CCO	ZINC000852182018	DB	On-Demand	Anodyne	CHRM3	21	41
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCCN1CCSCC1)C2	ZINC000852182026	GD	On-Demand	Anodyne	CACNA1H	22	40
CC(C)c1cccc(CN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1	ZINC000852182038	FH	On-Demand	Anodyne	HRH2	30	49
CC(C)c1cccc(CN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1	ZINC000852182038	FH	On-Demand	Anodyne	NPFFR2	37	41
CC(C)c1cccc(CN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1	ZINC000852182038	FH	On-Demand	Anodyne	MCHR2	41	33
CC(C)c1cccc(CN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1	ZINC000852182038	FH	On-Demand	Anodyne	NPFFR1	48	39
O=C(NCCN1CCSCC1)NNC(=O)c1cccc(F)n1	ZINC000852182082	EC	On-Demand	Reactive	HTR1A	15	48
O=C(NCCN1CCSCC1)NNC(=O)c1cccc(F)n1	ZINC000852182082	EC	On-Demand	Reactive	PLD2	50	32
O=C(NC[C@@H](O)c1cccc2ccccc12)NC[C@H]1CCN(C2CC2)C1	ZINC000852182133	FF	On-Demand	Anodyne	HTR4	44	37
O=C(NC[C@@H](O)c1cccc2ccccc12)NC[C@H]1CCN(C2CC2)C1	ZINC000852182133	FF	On-Demand	Anodyne	CCR3	21	42
O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852182134	FF	On-Demand	Anodyne	HTR4	44	37
O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852182134	FF	On-Demand	Anodyne	CCR3	21	42
O=C(NC[C@H]1CCN(C2CC2)C1)NC[C@H](O)c1cccc2ccccc12	ZINC000852182135	FF	On-Demand	Anodyne	HTR4	44	37
O=C(NC[C@H]1CCN(C2CC2)C1)NC[C@H](O)c1cccc2ccccc12	ZINC000852182135	FF	On-Demand	Anodyne	CCR3	21	42
O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@H](O)c1cccc2ccccc12	ZINC000852182136	FF	On-Demand	Anodyne	HTR4	44	37
O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@H](O)c1cccc2ccccc12	ZINC000852182136	FF	On-Demand	Anodyne	CCR3	21	42
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CCN(C2CC2)C1	ZINC000852182147	FF	On-Demand	Anodyne	CCR3	39	47
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CCN(C2CC2)C1	ZINC000852182147	FF	On-Demand	Anodyne	CACNA1I	49	39
O=C(NC[C@H]1CCN(C2CC2)C1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852182148	FF	On-Demand	Anodyne	CCR3	39	47
O=C(NC[C@H]1CCN(C2CC2)C1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852182148	FF	On-Demand	Anodyne	CACNA1I	49	39
O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852182149	FF	On-Demand	Anodyne	CCR3	39	47
O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852182149	FF	On-Demand	Anodyne	CACNA1I	49	39
O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852182150	FF	On-Demand	Anodyne	CCR3	39	47
O=C(NC[C@@H]1CCN(C2CC2)C1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852182150	FF	On-Demand	Anodyne	CACNA1I	49	39
CC(C)(C)OC(=O)NCC1(O)CCN(Cc2nsc3ccccc23)CC1	ZINC000852182151	GG	On-Demand	Anodyne	HTR1A	16	47
CC(C)(C)OC(=O)NCC1(O)CCN(Cc2nsc3ccccc23)CC1	ZINC000852182151	GG	On-Demand	Anodyne	DRD2	22	47
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(F)c(Cl)c1	ZINC000852182184	FI	On-Demand	Mild	SLC1A1	22	44
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(F)c(Cl)c1	ZINC000852182184	FI	On-Demand	Mild	SLC1A3	25	44
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(F)c(Cl)c1	ZINC000852182184	FI	On-Demand	Mild	SLC1A2	27	44
C[C@H]1C[C@@H](C)CN(C(=O)CON=Cc2ccccc2C(F)(F)F)C1	ZINC000852182212	EH	On-Demand	Mild	RBP4	66	34
C[C@@H]1C[C@@H](C)CN(C(=O)CON=Cc2ccccc2C(F)(F)F)C1	ZINC000852182213	EH	On-Demand	Mild	RBP4	66	34
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(N(C)C)CCSC3)C2)cc1	ZINC000852182353	GE	On-Demand	Clean	MTNR1A	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(N(C)C)CCSC3)C2)cc1	ZINC000852182353	GE	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(N(C)C)CCSC3)C2)cc1	ZINC000852182354	GE	On-Demand	Clean	MTNR1A	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(N(C)C)CCSC3)C2)cc1	ZINC000852182354	GE	On-Demand	Clean	MTNR1B	17	44
CCN(CCCS(=O)(=O)CCOC)c1cccc(C(F)(F)F)c1	ZINC000852182377	FF	On-Demand	Anodyne	GALR3	41	33
O=C(NCC1CCOCC1)NNc1ccc(Cl)cn1	ZINC000852182421	CD	On-Demand	Reactive	F10	48	33
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1	ZINC000852182426	HH	On-Demand	Mild	STAT6	44	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc(O)c2)O1	ZINC000852182441	DB	On-Demand	Reactive	OPRM1	29	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc(O)c2)O1	ZINC000852182441	DB	On-Demand	Reactive	OPRK1	29	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc(O)c2)O1	ZINC000852182442	DB	On-Demand	Reactive	OPRM1	29	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc(O)c2)O1	ZINC000852182442	DB	On-Demand	Reactive	OPRK1	29	40
CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cccc(F)n2)CC1	ZINC000852182478	EE	On-Demand	Anodyne	NPFFR1	42	35
CC(C)(C)OC(=O)NCC1(O)CCN(CCC2CCC2)CC1	ZINC000852182487	DF	On-Demand	Anodyne	SIRT3	18	40
CC(C)(C)OC(=O)NCC1(O)CCN(CCC2CCC2)CC1	ZINC000852182487	DF	On-Demand	Anodyne	SIRT2	17	40
CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cccc(N)c2)CC1	ZINC000852182500	EE	On-Demand	Anodyne	HRH2	30	49
CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cccc(N)c2)CC1	ZINC000852182500	EE	On-Demand	Anodyne	SIGMAR1	17	41
CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cccc(N)c2)CC1	ZINC000852182500	EE	On-Demand	Anodyne	NPFFR2	38	43
CC(C)(C)OC(=O)NCC1(O)CCN(Cc2cccc(N)c2)CC1	ZINC000852182500	EE	On-Demand	Anodyne	NPFFR1	49	40
O=C(NCCn1ccnc1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852182501	ED	On-Demand	Clean	TBXAS1	41	40
O=C(NCC1CCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852182547	EF	On-Demand	Anodyne	HTR4	40	34
O=C(NCC1CCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852182548	EF	On-Demand	Anodyne	HTR4	40	34
COc1cccc(SCCN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1	ZINC000852182549	GG	On-Demand	Anodyne	DRD4	49	38
COc1cccc(SCCN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1	ZINC000852182549	GG	On-Demand	Anodyne	MTNR1A	23	48
COc1cccc(SCCN2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1	ZINC000852182549	GG	On-Demand	Anodyne	MTNR1B	23	48
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1	ZINC000852182554	HJ	On-Demand	Mild	P2RY1	51	37
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1	ZINC000852182554	HJ	On-Demand	Mild	EPHX2	45	37
CC(C)(C)OC(=O)NCC1(O)CCN(CCc2nsc3ccccc23)CC1	ZINC000852182556	GG	On-Demand	Anodyne	HTR1A	22	49
CC(C)(C)OC(=O)NCC1(O)CCN(CCc2nsc3ccccc23)CC1	ZINC000852182556	GG	On-Demand	Anodyne	DRD2	27	49
O=C(NCc1cccc(O)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852182565	DD	On-Demand	Anodyne	NPSR1	26	41
O=C(NCc1cccc(O)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852182566	DD	On-Demand	Anodyne	NPSR1	26	41
CCOP(=O)(OCC)[C@H](O)CNC(C)(C)Cc1ccc(C)cc1	ZINC000852182598	EG	On-Demand	Anodyne	CASR	38	40
CCOP(=O)(OCC)[C@@H](O)CNC(C)(C)Cc1ccc(C)cc1	ZINC000852182599	EG	On-Demand	Anodyne	CASR	38	40
CCN1OC[C@@H](N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)C1=O	ZINC000852182605	FE	On-Demand	Anodyne	TPP2	50	31
CCN1OC[C@@H](N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)C1=O	ZINC000852182606	FE	On-Demand	Anodyne	TPP2	50	31
CCN1OC[C@H](N2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)C1=O	ZINC000852182607	FE	On-Demand	Anodyne	TPP2	50	31
CCN1OC[C@H](N2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)C1=O	ZINC000852182608	FE	On-Demand	Anodyne	TPP2	50	31
Cc1ccc(CC(C)(C)NC[C@@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852182626	EE	On-Demand	Anodyne	AMY2	51	29
Cc1ccc(CC(C)(C)NC[C@@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852182626	EE	On-Demand	Anodyne	KIF11	22	42
Cc1ccc(CC(C)(C)NC[C@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852182627	EE	On-Demand	Anodyne	AMY2	51	29
Cc1ccc(CC(C)(C)NC[C@](O)(C(N)=O)c2ccccc2)cc1	ZINC000852182627	EE	On-Demand	Anodyne	KIF11	22	42
C#CCOCCN1CCC[C@H]1COc1cccnc1C	ZINC000852182651	CD	On-Demand	Mild	CHRNA10	56	41
C#CCOCCN1CCC[C@@H]1COc1cccnc1C	ZINC000852182652	CD	On-Demand	Mild	CHRNA10	56	41
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2CCOCC2)O1	ZINC000852182679	GD	On-Demand	Reactive	DRD4	20	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2CCOCC2)O1	ZINC000852182679	GD	On-Demand	Reactive	PDE8B	17	41
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@H]1COc1cccnc1C	ZINC000852182716	FF	On-Demand	Anodyne	CHRNA10	47	39
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@H]1COc1cccnc1C	ZINC000852182717	FF	On-Demand	Anodyne	CHRNA10	47	39
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H]1COc1cccnc1C	ZINC000852182718	FF	On-Demand	Anodyne	CHRNA10	47	39
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H]1COc1cccnc1C	ZINC000852182719	FF	On-Demand	Anodyne	CHRNA10	47	39
COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1OC	ZINC000852182728	JH	On-Demand	Anodyne	FKBP1A	41	34
COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1OC	ZINC000852182730	JH	On-Demand	Anodyne	FKBP1A	41	34
CCOC(=O)N[C@H](CNC(=O)NCCc1cnccc1C)CC(C)C	ZINC000852182763	FE	On-Demand	Anodyne	CAPN2	51	33
CCOC(=O)N[C@@H](CNC(=O)NCCc1cnccc1C)CC(C)C	ZINC000852182764	FE	On-Demand	Anodyne	CAPN2	51	33
CCOC(=O)N[C@H](CNC(=O)NCCc1ccc(C#N)cc1)CC(C)C	ZINC000852182799	FF	On-Demand	Mild	HLA-DRB1	45	38
CCOC(=O)N[C@H](CNC(=O)NCCc1ccc(C#N)cc1)CC(C)C	ZINC000852182799	FF	On-Demand	Mild	CAPN2	65	39
CCOC(=O)N[C@H](CNC(=O)NCCc1ccc(C#N)cc1)CC(C)C	ZINC000852182799	FF	On-Demand	Mild	CTRB_BOVIN	48	36
CCOC(=O)N[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)CC(C)C	ZINC000852182800	FF	On-Demand	Mild	HLA-DRB1	45	38
CCOC(=O)N[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)CC(C)C	ZINC000852182800	FF	On-Demand	Mild	CAPN2	65	39
CCOC(=O)N[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)CC(C)C	ZINC000852182800	FF	On-Demand	Mild	CTRB_BOVIN	48	36
O=C(CON=Cc1ccccc1C(F)(F)F)NCc1ccccc1	ZINC000852182805	EG	On-Demand	Mild	NR1H2	42	36
O=C(CON=Cc1ccccc1C(F)(F)F)NCc1ccccc1	ZINC000852182805	EG	On-Demand	Mild	PDS	53	38
O=C(CON=Cc1ccccc1C(F)(F)F)NC12CC3CC(CC(C3)C1)C2	ZINC000852182851	GI	On-Demand	Mild	EPHX2	59	42
CC(C)(C)OC(=O)NCC1(O)CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852182871	FE	On-Demand	Mild	KCNJ1	38	49
COCCCCN(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852182885	CC	On-Demand	Anodyne	FDPS	33	43
COCCCCN(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852182885	CC	On-Demand	Anodyne	AMY2	65	40
COCCCCN(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852182886	CC	On-Demand	Anodyne	FDPS	33	43
COCCCCN(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852182886	CC	On-Demand	Anodyne	AMY2	65	40
O=C(NCc1ncccn1)NC[C@H]1CCN(C2CC2)C1	ZINC000852182894	CC	On-Demand	Anodyne	CCR3	15	40
O=C(NCc1ncccn1)NC[C@@H]1CCN(C2CC2)C1	ZINC000852182895	CC	On-Demand	Anodyne	CCR3	15	40
O=C(NCCN1CCSCC1)NCc1ncccn1	ZINC000852182905	CC	On-Demand	Anodyne	UTS2R	16	42
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@H]3COC[C@H]3C2)CC1	ZINC000852182999	GD	On-Demand	Anodyne	GPR119	37	40
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@@H]3COC[C@H]3C2)CC1	ZINC000852183000	GD	On-Demand	Anodyne	GPR119	37	40
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@H]3COC[C@@H]3C2)CC1	ZINC000852183011	GD	On-Demand	Anodyne	GPR119	37	40
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1	ZINC000852183013	GD	On-Demand	Anodyne	GPR119	37	40
CCOC(=O)N[C@H](CNC(=O)N[C@H](C)c1cscn1)CC(C)C	ZINC000852183031	EF	On-Demand	Anodyne	CAPN2	52	34
CCOC(=O)N[C@@H](CNC(=O)N[C@@H](C)c1cscn1)CC(C)C	ZINC000852183033	EF	On-Demand	Anodyne	CAPN2	52	34
CCOC(=O)N[C@H](CNC(=O)N[C@@H](C)c1cscn1)CC(C)C	ZINC000852183035	EF	On-Demand	Anodyne	CAPN2	52	34
CCOC(=O)N[C@@H](CNC(=O)N[C@H](C)c1cscn1)CC(C)C	ZINC000852183036	EF	On-Demand	Anodyne	CAPN2	52	34
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852183073	JF	On-Demand	Mild	EPHX2	15	54
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852183073	JF	On-Demand	Mild	TGM2	35	42
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852183073	JF	On-Demand	Mild	F13A1	50	42
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852183073	JF	On-Demand	Mild	AKR1C3	46	38
O=C(NC[C@@H]1CCN(C2CC2)C1)NNc1ccc(Cl)cn1	ZINC000852183076	DD	On-Demand	Reactive	CACNA1I	41	33
O=C(NC[C@H]1CCN(C2CC2)C1)NNc1ccc(Cl)cn1	ZINC000852183077	DD	On-Demand	Reactive	CACNA1I	41	33
CCOC(=O)N[C@H](CNC(=O)N1CC[C@@H]1c1ccc(F)cc1)CC(C)C	ZINC000852183089	FG	On-Demand	Anodyne	CAPN2	55	32
CCOC(=O)N[C@@H](CNC(=O)N1CC[C@@H]1c1ccc(F)cc1)CC(C)C	ZINC000852183090	FG	On-Demand	Anodyne	CAPN2	55	32
CCOC(=O)N[C@H](CNC(=O)N1CC[C@H]1c1ccc(F)cc1)CC(C)C	ZINC000852183091	FG	On-Demand	Anodyne	CAPN2	55	32
CCOC(=O)N[C@@H](CNC(=O)N1CC[C@H]1c1ccc(F)cc1)CC(C)C	ZINC000852183092	FG	On-Demand	Anodyne	CAPN2	55	32
CCOC(=O)N[C@@H](CNC(=O)NCc1ncccn1)CC(C)C	ZINC000852183128	DD	On-Demand	Anodyne	CAPNS1	48	33
CCOC(=O)N[C@@H](CNC(=O)NCc1ncccn1)CC(C)C	ZINC000852183128	DD	On-Demand	Anodyne	HLA-DRB1	40	34
CCOC(=O)N[C@@H](CNC(=O)NCc1ncccn1)CC(C)C	ZINC000852183128	DD	On-Demand	Anodyne	CAPN2	80	36
CCOC(=O)N[C@H](CNC(=O)NCc1ncccn1)CC(C)C	ZINC000852183129	DD	On-Demand	Anodyne	CAPNS1	48	33
CCOC(=O)N[C@H](CNC(=O)NCc1ncccn1)CC(C)C	ZINC000852183129	DD	On-Demand	Anodyne	HLA-DRB1	40	34
CCOC(=O)N[C@H](CNC(=O)NCc1ncccn1)CC(C)C	ZINC000852183129	DD	On-Demand	Anodyne	CAPN2	80	36
CCOC(=O)N[C@@H](CNC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1)CC(C)C	ZINC000852183142	FD	On-Demand	Anodyne	CAPN2	47	31
CCOC(=O)N[C@H](CNC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1)CC(C)C	ZINC000852183143	FD	On-Demand	Anodyne	CAPN2	47	31
CCOC(=O)N[C@H](CNC(=O)NCCc1ccnc2ccccc12)CC(C)C	ZINC000852183171	GG	On-Demand	Anodyne	MTNR1A	21	42
CCOC(=O)N[C@H](CNC(=O)NCCc1ccnc2ccccc12)CC(C)C	ZINC000852183171	GG	On-Demand	Anodyne	HLA-DRB1	40	35
CCOC(=O)N[C@H](CNC(=O)NCCc1ccnc2ccccc12)CC(C)C	ZINC000852183171	GG	On-Demand	Anodyne	CAPN2	76	37
CCOC(=O)N[C@@H](CNC(=O)NCCc1ccnc2ccccc12)CC(C)C	ZINC000852183172	GG	On-Demand	Anodyne	MTNR1A	21	42
CCOC(=O)N[C@@H](CNC(=O)NCCc1ccnc2ccccc12)CC(C)C	ZINC000852183172	GG	On-Demand	Anodyne	HLA-DRB1	40	35
CCOC(=O)N[C@@H](CNC(=O)NCCc1ccnc2ccccc12)CC(C)C	ZINC000852183172	GG	On-Demand	Anodyne	CAPN2	76	37
CCOC(=O)N[C@H](CNC(=O)NCC1=CCCC1)CC(C)C	ZINC000852183203	DF	On-Demand	Anodyne	HLA-DRB1	42	32
CCOC(=O)N[C@@H](CNC(=O)NCC1=CCCC1)CC(C)C	ZINC000852183204	DF	On-Demand	Anodyne	HLA-DRB1	42	32
CCOC(=O)N[C@H](CNC(=O)NCCc1ccoc1)CC(C)C	ZINC000852183216	EE	On-Demand	Anodyne	HLA-DRB1	45	36
CCOC(=O)N[C@H](CNC(=O)NCCc1ccoc1)CC(C)C	ZINC000852183216	EE	On-Demand	Anodyne	CAPN2	78	38
CCOC(=O)N[C@@H](CNC(=O)NCCc1ccoc1)CC(C)C	ZINC000852183217	EE	On-Demand	Anodyne	HLA-DRB1	45	36
CCOC(=O)N[C@@H](CNC(=O)NCCc1ccoc1)CC(C)C	ZINC000852183217	EE	On-Demand	Anodyne	CAPN2	78	38
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCc2cc[nH]n2)C1	ZINC000852183262	GG	On-Demand	Anodyne	GPR119	31	40
CCOC(=O)N[C@@H](CNC(=O)NNC(=O)c1cccc(F)n1)CC(C)C	ZINC000852183273	FD	On-Demand	Reactive	CAPN2	80	33
CCOC(=O)N[C@H](CNC(=O)NNC(=O)c1cccc(F)n1)CC(C)C	ZINC000852183274	FD	On-Demand	Reactive	CAPN2	80	33
CCOC(=O)N[C@H](CNC(=O)NCc1cccnc1N1CCCC1)CC(C)C	ZINC000852183276	GF	On-Demand	Anodyne	CAPNS1	43	32
CCOC(=O)N[C@H](CNC(=O)NCc1cccnc1N1CCCC1)CC(C)C	ZINC000852183276	GF	On-Demand	Anodyne	HLA-DRB1	54	36
CCOC(=O)N[C@H](CNC(=O)NCc1cccnc1N1CCCC1)CC(C)C	ZINC000852183276	GF	On-Demand	Anodyne	CAPN1	53	36
CCOC(=O)N[C@H](CNC(=O)NCc1cccnc1N1CCCC1)CC(C)C	ZINC000852183276	GF	On-Demand	Anodyne	CAPN2	102	37
CCOC(=O)N[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)CC(C)C	ZINC000852183277	GF	On-Demand	Anodyne	CAPNS1	43	32
CCOC(=O)N[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)CC(C)C	ZINC000852183277	GF	On-Demand	Anodyne	HLA-DRB1	54	36
CCOC(=O)N[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)CC(C)C	ZINC000852183277	GF	On-Demand	Anodyne	CAPN1	53	36
CCOC(=O)N[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)CC(C)C	ZINC000852183277	GF	On-Demand	Anodyne	CAPN2	102	37
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NCc3cc[nH]n3)CC2)C1	ZINC000852183285	GF	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NCc3cc[nH]n3)CC2)C1	ZINC000852183286	GF	On-Demand	Anodyne	GPR119	34	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CN3CCCC3)C2)cc1	ZINC000852183289	FE	On-Demand	Clean	MTNR1A	19	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CN3CCCC3)C2)cc1	ZINC000852183289	FE	On-Demand	Clean	MTNR1B	18	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CN3CCCC3)C2)cc1	ZINC000852183289	FE	On-Demand	Clean	BIRC2	32	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CN3CCCC3)C2)cc1	ZINC000852183290	FE	On-Demand	Clean	MTNR1A	19	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CN3CCCC3)C2)cc1	ZINC000852183290	FE	On-Demand	Clean	MTNR1B	18	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CN3CCCC3)C2)cc1	ZINC000852183290	FE	On-Demand	Clean	BIRC2	32	41
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCCc2ccoc2)CC1	ZINC000852183313	GE	On-Demand	Anodyne	DRD2	21	45
CCOC(=O)N[C@H](CNC(=O)N[C@@H](CO)c1ccc(F)cc1F)CC(C)C	ZINC000852183357	GE	On-Demand	Anodyne	HLA-DRB1	54	35
CCOC(=O)N[C@@H](CNC(=O)N[C@@H](CO)c1ccc(F)cc1F)CC(C)C	ZINC000852183358	GE	On-Demand	Anodyne	HLA-DRB1	54	35
CCOC(=O)N[C@@H](CNC(=O)N[C@H](CO)c1ccc(F)cc1F)CC(C)C	ZINC000852183359	GE	On-Demand	Anodyne	HLA-DRB1	54	35
CCOC(=O)N[C@H](CNC(=O)N[C@H](CO)c1ccc(F)cc1F)CC(C)C	ZINC000852183360	GE	On-Demand	Anodyne	HLA-DRB1	54	35
CCOC(=O)N[C@H](CNC(=O)N1CCc2c(cccc2C(N)=O)C1)CC(C)C	ZINC000852183361	GE	On-Demand	Anodyne	CAPN2	52	32
CCOC(=O)N[C@@H](CNC(=O)N1CCc2c(cccc2C(N)=O)C1)CC(C)C	ZINC000852183362	GE	On-Demand	Anodyne	CAPN2	52	32
CCOC(=O)N[C@@H](CNC(=O)NNc1ccc(Cl)cn1)CC(C)C	ZINC000852183388	FF	On-Demand	Reactive	CAPN2	71	36
CCOC(=O)N[C@H](CNC(=O)NNc1ccc(Cl)cn1)CC(C)C	ZINC000852183389	FF	On-Demand	Reactive	CAPN2	71	36
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852183418	JF	On-Demand	Mild	EPHX2	15	52
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852183418	JF	On-Demand	Mild	TGM2	70	48
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852183418	JF	On-Demand	Mild	F13A1	97	48
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852183418	JF	On-Demand	Mild	NAMPT	24	42
CCOC(=O)N[C@@H](CNC(=O)NCc1ccnn1CC)CC(C)C	ZINC000852183429	ED	On-Demand	Anodyne	HLA-DRB1	43	33
CCOC(=O)N[C@@H](CNC(=O)NCc1ccnn1CC)CC(C)C	ZINC000852183429	ED	On-Demand	Anodyne	CAPN2	48	31
CCOC(=O)N[C@H](CNC(=O)NCc1ccnn1CC)CC(C)C	ZINC000852183430	ED	On-Demand	Anodyne	HLA-DRB1	43	33
CCOC(=O)N[C@H](CNC(=O)NCc1ccnn1CC)CC(C)C	ZINC000852183430	ED	On-Demand	Anodyne	CAPN2	48	31
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cc[nH]n1	ZINC000852183440	ED	On-Demand	Clean	STAT6	16	41
CCOC(=O)N[C@H](CNC(=O)N1CCOc2ccc(O)cc2C1)CC(C)C	ZINC000852183446	GE	On-Demand	Anodyne	CAPN2	77	37
CCOC(=O)N[C@@H](CNC(=O)N1CCOc2ccc(O)cc2C1)CC(C)C	ZINC000852183447	GE	On-Demand	Anodyne	CAPN2	77	37
CCOC(=O)N[C@H](CNC(=O)NCCc1noc2ccccc12)CC(C)C	ZINC000852183470	GF	On-Demand	Anodyne	CAPN2	71	35
CCOC(=O)N[C@@H](CNC(=O)NCCc1noc2ccccc12)CC(C)C	ZINC000852183471	GF	On-Demand	Anodyne	CAPN2	71	35
COc1ccc(N2CC[C@H](NC(=O)NCc3cc[nH]n3)C2)cc1	ZINC000852183482	DD	On-Demand	Clean	NPBWR1	59	32
CCOC(=O)N[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183513	FG	On-Demand	Anodyne	KLK3	57	31
CCOC(=O)N[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183513	FG	On-Demand	Anodyne	CTSB	42	36
CCOC(=O)N[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183513	FG	On-Demand	Anodyne	CTSK	48	37
CCOC(=O)N[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183513	FG	On-Demand	Anodyne	CAPNS1	61	38
CCOC(=O)N[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183513	FG	On-Demand	Anodyne	HLA-DRB1	69	40
CCOC(=O)N[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183513	FG	On-Demand	Anodyne	CAPN1	76	38
CCOC(=O)N[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183513	FG	On-Demand	Anodyne	CAPN2	127	40
CCOC(=O)N[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183513	FG	On-Demand	Anodyne	NPR	68	35
CCOC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183514	FG	On-Demand	Anodyne	KLK3	57	31
CCOC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183514	FG	On-Demand	Anodyne	CTSB	42	36
CCOC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183514	FG	On-Demand	Anodyne	CTSK	48	37
CCOC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183514	FG	On-Demand	Anodyne	CAPNS1	61	38
CCOC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183514	FG	On-Demand	Anodyne	HLA-DRB1	69	40
CCOC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183514	FG	On-Demand	Anodyne	CAPN1	76	38
CCOC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183514	FG	On-Demand	Anodyne	CAPN2	127	40
CCOC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)CC(C)C	ZINC000852183514	FG	On-Demand	Anodyne	NPR	68	35
CCOC(=O)N[C@H](CNC(=O)N[C@@H]1C[C@H]1c1ccccc1OC)CC(C)C	ZINC000852183524	GG	On-Demand	Anodyne	CAPN2	68	31
CCOC(=O)N[C@@H](CNC(=O)N[C@@H]1C[C@H]1c1ccccc1OC)CC(C)C	ZINC000852183525	GG	On-Demand	Anodyne	CAPN2	68	31
Cc1ccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1	ZINC000852183526	JG	On-Demand	Mild	CNR2	15	56
Cc1ccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1	ZINC000852183526	JG	On-Demand	Mild	NR1H4	21	48
Cc1ccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1	ZINC000852183526	JG	On-Demand	Mild	EPHX2	20	41
Cc1ccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1	ZINC000852183526	JG	On-Demand	Mild	F13A1	25	40
CCOC(=O)N[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183552	GE	On-Demand	Anodyne	PYGL	32	44
CCOC(=O)N[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183552	GE	On-Demand	Anodyne	PYGM	27	44
CCOC(=O)N[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183552	GE	On-Demand	Anodyne	CAPN2	59	30
CCOC(=O)N[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183552	GE	On-Demand	Anodyne	TPP2	45	33
CCOC(=O)N[C@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183553	GE	On-Demand	Anodyne	PYGL	32	44
CCOC(=O)N[C@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183553	GE	On-Demand	Anodyne	PYGM	27	44
CCOC(=O)N[C@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183553	GE	On-Demand	Anodyne	CAPN2	59	30
CCOC(=O)N[C@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183553	GE	On-Demand	Anodyne	TPP2	45	33
CCOC(=O)N[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183554	GE	On-Demand	Anodyne	PYGL	32	44
CCOC(=O)N[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183554	GE	On-Demand	Anodyne	PYGM	27	44
CCOC(=O)N[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183554	GE	On-Demand	Anodyne	CAPN2	59	30
CCOC(=O)N[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183554	GE	On-Demand	Anodyne	TPP2	45	33
CCOC(=O)N[C@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183555	GE	On-Demand	Anodyne	PYGL	32	44
CCOC(=O)N[C@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183555	GE	On-Demand	Anodyne	PYGM	27	44
CCOC(=O)N[C@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183555	GE	On-Demand	Anodyne	CAPN2	59	30
CCOC(=O)N[C@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)CC(C)C	ZINC000852183555	GE	On-Demand	Anodyne	TPP2	45	33
C[C@@H]1Cc2ccccc2N1C(=O)CON=Cc1ccccc1C(F)(F)F	ZINC000852183574	FI	On-Demand	Mild	DRD4	24	46
CCOC(=O)N[C@H](CNC(=O)N1CCC(c2ccco2)CC1)CC(C)C	ZINC000852183610	FG	On-Demand	Anodyne	CAPN2	66	35
CCOC(=O)N[C@@H](CNC(=O)N1CCC(c2ccco2)CC1)CC(C)C	ZINC000852183611	FG	On-Demand	Anodyne	CAPN2	66	35
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)N(C)C)C2)cc1	ZINC000852183619	ED	On-Demand	Clean	MTNR1A	19	48
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)N(C)C)C2)cc1	ZINC000852183619	ED	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)N(C)C)C2)cc1	ZINC000852183619	ED	On-Demand	Clean	MCHR1	15	51
CCOC(=O)N[C@H](CNC(=O)NNC(=O)c1cn(C)nn1)CC(C)C	ZINC000852183626	FB	On-Demand	Reactive	CAPN2	66	32
CCOC(=O)N[C@@H](CNC(=O)NNC(=O)c1cn(C)nn1)CC(C)C	ZINC000852183627	FB	On-Demand	Reactive	CAPN2	66	32
O=C(CON=Cc1ccccc1C(F)(F)F)NCc1ccc2c(c1)OCO2	ZINC000852183643	GG	On-Demand	Mild	NOS2	95	37
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCc3cc[nH]n3)C2)CC1	ZINC000852183732	GF	On-Demand	Anodyne	GPR119	46	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCc3cc[nH]n3)C2)CC1	ZINC000852183733	GF	On-Demand	Anodyne	GPR119	46	44
CCOc1ccccc1NC(=O)CON=Cc1ccccc1C(F)(F)F	ZINC000852183796	FI	On-Demand	Mild	KCNK3	19	43
CCOc1ccccc1NC(=O)CON=Cc1ccccc1C(F)(F)F	ZINC000852183796	FI	On-Demand	Mild	KCNK9	15	43
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc2ccccc2c1	ZINC000852183819	FJ	On-Demand	Mild	KCNJ11	89	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CCCCO1	ZINC000852183869	EE	On-Demand	Clean	TNK2	17	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1CCCCO1	ZINC000852183870	EE	On-Demand	Clean	TNK2	17	40
CC(C)(C)OC(=O)N1CCC12CCN(CCc1ccc(C#N)cc1)CC2	ZINC000852183888	FH	On-Demand	Mild	KCNJ1	42	51
CC(=O)N[C@@H]1CCN(CC2=NS(=O)(=O)c3ccccc32)C1	ZINC000852183916	DC	On-Demand	Anodyne	DRD4	22	42
CC(=O)N[C@H]1CCN(CC2=NS(=O)(=O)c3ccccc32)C1	ZINC000852183917	DC	On-Demand	Anodyne	DRD4	22	42
CNC(=O)[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852183922	CB	On-Demand	Anodyne	CHRM3	42	39
CNC(=O)[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852183922	CB	On-Demand	Anodyne	CYP2J2	51	37
CNC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852183923	CB	On-Demand	Anodyne	CHRM3	42	39
CNC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852183923	CB	On-Demand	Anodyne	CYP2J2	51	37
CNC(=O)[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852183924	CB	On-Demand	Anodyne	CHRM3	42	39
CNC(=O)[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852183924	CB	On-Demand	Anodyne	CYP2J2	51	37
CNC(=O)[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852183925	CB	On-Demand	Anodyne	CHRM3	42	39
CNC(=O)[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852183925	CB	On-Demand	Anodyne	CYP2J2	51	37
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCCCO2)O1	ZINC000852183995	GD	On-Demand	Reactive	PDE8B	23	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC[C@H]2CCCCO2)O1	ZINC000852183996	GD	On-Demand	Reactive	PDE8B	23	40
CC(C)(C)OC(=O)N1CCC12CCN([C@@H](C#N)c1ccccc1)CC2	ZINC000852184022	EH	On-Demand	Mild	PTAFR	38	42
CC(C)(C)OC(=O)N1CCC12CCN([C@H](C#N)c1ccccc1)CC2	ZINC000852184023	EH	On-Demand	Mild	PTAFR	38	42
CNC(=O)[C@@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184064	BC	On-Demand	Anodyne	PDE8B	57	33
CNC(=O)[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184065	BC	On-Demand	Anodyne	PDE8B	57	33
CNC(=O)[C@@H]1CCN(CC(=O)NC(=O)c2ccc(OC)cc2)C1	ZINC000852184114	DC	On-Demand	Anodyne	SLC18A3	17	40
O=C(CN1CCC[C@@H](CC(F)(F)F)C1)Nc1ccc(Cl)nc1	ZINC000852184124	EG	On-Demand	Anodyne	CCR3	53	35
O=C(CN1CCC[C@H](CC(F)(F)F)C1)Nc1ccc(Cl)nc1	ZINC000852184125	EG	On-Demand	Anodyne	CCR3	53	35
CC[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](CC)O1	ZINC000852184197	DD	On-Demand	Anodyne	CYP2J2	40	35
CC[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H](CC)O1	ZINC000852184199	DD	On-Demand	Anodyne	CYP2J2	40	35
CC(C)(C)OC(=O)N1CCC12CCN(CCc1nsc3ccccc13)CC2	ZINC000852184211	GI	On-Demand	Anodyne	HTR1A	18	40
CC(C)(C)OC(=O)N1CCC12CCN(CCc1nsc3ccccc13)CC2	ZINC000852184211	GI	On-Demand	Anodyne	DRD2	22	40
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1	ZINC000852184237	GD	On-Demand	Anodyne	GPR119	37	41
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[C@H]3COC[C@@H]3C2)CC1	ZINC000852184239	GD	On-Demand	Anodyne	GPR119	37	41
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[C@@H]3COC[C@H]3C2)CC1	ZINC000852184241	GD	On-Demand	Anodyne	GPR119	37	41
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[C@H]3COC[C@H]3C2)CC1	ZINC000852184243	GD	On-Demand	Anodyne	GPR119	37	41
CC(C)(C)OC(=O)N1CCC12CCN(Cc1cccc(N)c1)CC2	ZINC000852184287	EG	On-Demand	Anodyne	HRH2	24	42
NC(=O)[C@](O)(CN1CCN(C(=O)C2CC2)C1)c1ccccc1	ZINC000852184437	DB	On-Demand	Anodyne	CHRM2	16	40
NC(=O)[C@](O)(CN1CCN(C(=O)C2CC2)C1)c1ccccc1	ZINC000852184437	DB	On-Demand	Anodyne	CHRM1	16	40
NC(=O)[C@](O)(CN1CCN(C(=O)C2CC2)C1)c1ccccc1	ZINC000852184437	DB	On-Demand	Anodyne	CHRM3	26	40
NC(=O)[C@](O)(CN1CCN(C(=O)C2CC2)C1)c1ccccc1	ZINC000852184437	DB	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CCN(C(=O)C2CC2)C1)c1ccccc1	ZINC000852184438	DB	On-Demand	Anodyne	CHRM2	16	40
NC(=O)[C@@](O)(CN1CCN(C(=O)C2CC2)C1)c1ccccc1	ZINC000852184438	DB	On-Demand	Anodyne	CHRM1	16	40
NC(=O)[C@@](O)(CN1CCN(C(=O)C2CC2)C1)c1ccccc1	ZINC000852184438	DB	On-Demand	Anodyne	CHRM3	26	40
NC(=O)[C@@](O)(CN1CCN(C(=O)C2CC2)C1)c1ccccc1	ZINC000852184438	DB	On-Demand	Anodyne	CYP2J2	44	31
CC(=O)N[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184570	CB	On-Demand	Anodyne	CHRM2	27	42
CC(=O)N[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184570	CB	On-Demand	Anodyne	CHRM1	30	42
CC(=O)N[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184570	CB	On-Demand	Anodyne	DRD4	24	42
CC(=O)N[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184570	CB	On-Demand	Anodyne	CHRM3	44	42
CC(=O)N[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184570	CB	On-Demand	Anodyne	SIGMAR1	18	41
CC(=O)N[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184570	CB	On-Demand	Anodyne	CCR2	21	40
CC(=O)N[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184570	CB	On-Demand	Anodyne	CYP2J2	48	34
CC(=O)N[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184571	CB	On-Demand	Anodyne	CHRM2	27	42
CC(=O)N[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184571	CB	On-Demand	Anodyne	CHRM1	30	42
CC(=O)N[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184571	CB	On-Demand	Anodyne	DRD4	24	42
CC(=O)N[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184571	CB	On-Demand	Anodyne	CHRM3	44	42
CC(=O)N[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184571	CB	On-Demand	Anodyne	SIGMAR1	18	41
CC(=O)N[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184571	CB	On-Demand	Anodyne	CCR2	21	40
CC(=O)N[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184571	CB	On-Demand	Anodyne	CYP2J2	48	34
CC(=O)N[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184572	CB	On-Demand	Anodyne	CHRM2	27	42
CC(=O)N[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184572	CB	On-Demand	Anodyne	CHRM1	30	42
CC(=O)N[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184572	CB	On-Demand	Anodyne	DRD4	24	42
CC(=O)N[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184572	CB	On-Demand	Anodyne	CHRM3	44	42
CC(=O)N[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184572	CB	On-Demand	Anodyne	SIGMAR1	18	41
CC(=O)N[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184572	CB	On-Demand	Anodyne	CCR2	21	40
CC(=O)N[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184572	CB	On-Demand	Anodyne	CYP2J2	48	34
CC(=O)N[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184573	CB	On-Demand	Anodyne	CHRM2	27	42
CC(=O)N[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184573	CB	On-Demand	Anodyne	CHRM1	30	42
CC(=O)N[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184573	CB	On-Demand	Anodyne	DRD4	24	42
CC(=O)N[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184573	CB	On-Demand	Anodyne	CHRM3	44	42
CC(=O)N[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184573	CB	On-Demand	Anodyne	SIGMAR1	18	41
CC(=O)N[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184573	CB	On-Demand	Anodyne	CCR2	21	40
CC(=O)N[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852184573	CB	On-Demand	Anodyne	CYP2J2	48	34
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852184580	HI	On-Demand	Mild	IMDH_CRYPV	20	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCCO3)C2)cc1	ZINC000852184590	EE	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCCO3)C2)cc1	ZINC000852184590	EE	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCCO3)C2)cc1	ZINC000852184591	EE	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCCO3)C2)cc1	ZINC000852184591	EE	On-Demand	Clean	MTNR1B	15	44
CC(=O)N[C@@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184613	BC	On-Demand	Anodyne	DRD4	24	43
CC(=O)N[C@@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184613	BC	On-Demand	Anodyne	CHRM3	15	45
CC(=O)N[C@@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184613	BC	On-Demand	Anodyne	CCR3	38	45
CC(=O)N[C@@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184613	BC	On-Demand	Anodyne	CCR2	17	40
CC(=O)N[C@@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184613	BC	On-Demand	Anodyne	MCHR1	27	42
CC(=O)N[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184614	BC	On-Demand	Anodyne	DRD4	24	43
CC(=O)N[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184614	BC	On-Demand	Anodyne	CHRM3	15	45
CC(=O)N[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184614	BC	On-Demand	Anodyne	CCR3	38	45
CC(=O)N[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184614	BC	On-Demand	Anodyne	CCR2	17	40
CC(=O)N[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852184614	BC	On-Demand	Anodyne	MCHR1	27	42
COc1cccc(OC)c1CNC(=O)NC[C@H](C)N1CCCCC1	ZINC000852184707	EE	On-Demand	Anodyne	HCN1	47	41
COc1cccc(OC)c1CNC(=O)NC[C@H](C)N1CCCCC1	ZINC000852184707	EE	On-Demand	Anodyne	HCN4	28	41
COc1cccc(OC)c1CNC(=O)NC[C@@H](C)N1CCCCC1	ZINC000852184708	EE	On-Demand	Anodyne	HCN1	47	41
COc1cccc(OC)c1CNC(=O)NC[C@@H](C)N1CCCCC1	ZINC000852184708	EE	On-Demand	Anodyne	HCN4	28	41
COC(=O)c1ccc(CNC(=O)NC[C@@H](C)N2CCCCC2)c(F)c1	ZINC000852184723	FE	On-Demand	Anodyne	BDKRB1	26	40
COC(=O)c1ccc(CNC(=O)NC[C@H](C)N2CCCCC2)c(F)c1	ZINC000852184724	FE	On-Demand	Anodyne	BDKRB1	26	40
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCc2ncccn2)CC1	ZINC000852184749	FC	On-Demand	Anodyne	HTR1A	16	41
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCc2ncccn2)CC1	ZINC000852184749	FC	On-Demand	Anodyne	DRD4	40	31
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCc2ncccn2)CC1	ZINC000852184749	FC	On-Demand	Anodyne	GPR119	35	44
CC(=O)N[C@@H]1CCN(Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1	ZINC000852184788	FF	On-Demand	Anodyne	CCR2	17	42
CC(=O)N[C@H]1CCN(Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1	ZINC000852184789	FF	On-Demand	Anodyne	CCR2	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N3CCCCC3)C2)cc1	ZINC000852184892	FE	On-Demand	Clean	MTNR1A	22	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N3CCCCC3)C2)cc1	ZINC000852184892	FE	On-Demand	Clean	MTNR1B	21	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)N3CCCCC3)C2)cc1	ZINC000852184893	FE	On-Demand	Clean	MTNR1A	22	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)N3CCCCC3)C2)cc1	ZINC000852184893	FE	On-Demand	Clean	MTNR1B	21	45
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCC[C@@H](CCF)C2)CC1	ZINC000852184941	GE	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCC[C@H](CCF)C2)CC1	ZINC000852184942	GE	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CCC12CCN(CCOCc1ccccc1)CC2	ZINC000852184964	FH	On-Demand	Anodyne	SIGMAR1	28	42
CC(C)(C)OC(=O)N1CCC12CCN(CCOCc1ccccc1)CC2	ZINC000852184964	FH	On-Demand	Anodyne	SLC12A5	67	37
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852185099	GD	On-Demand	Reactive	GPR119	35	41
CNC(=O)CCCNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852185130	FE	On-Demand	Anodyne	HRH2	21	42
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[C@@H]3C[C@H]3C2)CC1	ZINC000852185139	FD	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[C@H]3C[C@H]3C2)CC1	ZINC000852185140	FD	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000852185141	FD	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CC[C@H]3C[C@@H]3C2)CC1	ZINC000852185142	FD	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCCCc2ccco2)CC1	ZINC000852185152	GE	On-Demand	Anodyne	HTR1A	20	41
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCCCc2ccco2)CC1	ZINC000852185152	GE	On-Demand	Anodyne	DRD2	27	45
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCCCc2ccco2)CC1	ZINC000852185152	GE	On-Demand	Anodyne	DRD3	51	42
O[C@]1(Cc2ccc(F)cc2)CCN(CCOC(F)F)C1	ZINC000852185214	CE	On-Demand	Anodyne	SLC6A3	31	43
O[C@@]1(Cc2ccc(F)cc2)CCN(CCOC(F)F)C1	ZINC000852185215	CE	On-Demand	Anodyne	SLC6A3	31	43
CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CC(OC(C)(C)C)C1	ZINC000852185216	DD	On-Demand	Anodyne	AMY2	58	34
C[C@@H](CNC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)N1CCCCC1	ZINC000852185260	FG	On-Demand	Anodyne	NPY1R	29	42
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185273	DD	On-Demand	Anodyne	CHRM2	36	45
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185273	DD	On-Demand	Anodyne	CHRM1	33	41
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185273	DD	On-Demand	Anodyne	CHRM4	29	40
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185273	DD	On-Demand	Anodyne	CHRM3	54	45
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185273	DD	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185273	DD	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185275	DD	On-Demand	Anodyne	CHRM2	36	45
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185275	DD	On-Demand	Anodyne	CHRM1	33	41
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185275	DD	On-Demand	Anodyne	CHRM4	29	40
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185275	DD	On-Demand	Anodyne	CHRM3	54	45
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185275	DD	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185275	DD	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185276	DD	On-Demand	Anodyne	CHRM2	36	45
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185276	DD	On-Demand	Anodyne	CHRM1	33	41
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185276	DD	On-Demand	Anodyne	CHRM4	29	40
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185276	DD	On-Demand	Anodyne	CHRM3	54	45
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185276	DD	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCC2)C1)c1ccccc1	ZINC000852185276	DD	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185277	DD	On-Demand	Anodyne	CHRM2	36	45
NC(=O)[C@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185277	DD	On-Demand	Anodyne	CHRM1	33	41
NC(=O)[C@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185277	DD	On-Demand	Anodyne	CHRM4	29	40
NC(=O)[C@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185277	DD	On-Demand	Anodyne	CHRM3	54	45
NC(=O)[C@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185277	DD	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@](O)(CN1CC[C@H](C2CCCC2)C1)c1ccccc1	ZINC000852185277	DD	On-Demand	Anodyne	CYP2J2	49	34
CNC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185395	CC	On-Demand	Anodyne	AURKB	25	42
CNC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185395	CC	On-Demand	Anodyne	MAPK1	23	42
CNC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185395	CC	On-Demand	Anodyne	AURKA	15	40
CNC(=O)[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185395	CC	On-Demand	Anodyne	AURKC	20	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CN3CCCCC3)C2)cc1	ZINC000852185408	FF	On-Demand	Clean	MTNR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CN3CCCCC3)C2)cc1	ZINC000852185408	FF	On-Demand	Clean	MTNR1B	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CN3CCCCC3)C2)cc1	ZINC000852185408	FF	On-Demand	Clean	BIRC2	32	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CN3CCCCC3)C2)cc1	ZINC000852185410	FF	On-Demand	Clean	MTNR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CN3CCCCC3)C2)cc1	ZINC000852185410	FF	On-Demand	Clean	MTNR1B	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CN3CCCCC3)C2)cc1	ZINC000852185410	FF	On-Demand	Clean	BIRC2	32	40
CC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185456	CC	On-Demand	Anodyne	DRD4	24	41
CC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185456	CC	On-Demand	Anodyne	SSTR5	25	41
CC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185456	CC	On-Demand	Anodyne	AURKB	25	40
CC(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185456	CC	On-Demand	Anodyne	MCHR1	22	44
CC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185457	CC	On-Demand	Anodyne	DRD4	24	41
CC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185457	CC	On-Demand	Anodyne	SSTR5	25	41
CC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185457	CC	On-Demand	Anodyne	AURKB	25	40
CC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(Cl)nc2)C1	ZINC000852185457	CC	On-Demand	Anodyne	MCHR1	22	44
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCc3nccnc3C2)CC1	ZINC000852185469	GD	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CCC12CCN([C@@H]1CCC[C@H]1O)CC2	ZINC000852185518	DE	On-Demand	Anodyne	SLC18A3	31	40
COc1ccc(N2CC[C@H](NC(=O)NCCn3cccn3)C2)cc1	ZINC000852185527	ED	On-Demand	Clean	DRD4	43	36
COc1ccc(N2CC[C@H](NC(=O)NCCn3cccn3)C2)cc1	ZINC000852185527	ED	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)NCCn3cccn3)C2)cc1	ZINC000852185527	ED	On-Demand	Clean	MCHR1	16	44
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2cccc(F)n2)C1	ZINC000852185544	DG	On-Demand	Anodyne	PDE8B	50	34
C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2cccc(F)n2)C1	ZINC000852185547	DG	On-Demand	Anodyne	PDE8B	50	34
C[C@@H](CNC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)N1CCCCC1	ZINC000852185585	GD	On-Demand	Anodyne	SAP2	41	38
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@@H]3C[C@H]3C2)CC1	ZINC000852185631	FD	On-Demand	Anodyne	GPR119	41	41
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@H]3C[C@H]3C2)CC1	ZINC000852185632	FD	On-Demand	Anodyne	GPR119	41	41
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000852185633	FD	On-Demand	Anodyne	GPR119	41	41
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@H]3C[C@@H]3C2)CC1	ZINC000852185634	FD	On-Demand	Anodyne	GPR119	41	41
C[C@@H](CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1)N1CCCCC1	ZINC000852185668	GH	On-Demand	Anodyne	P2RY14	43	35
Cc1ccncc1CCNC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852185677	GD	On-Demand	Anodyne	DRD4	40	31
Cc1ccncc1CCNC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852185677	GD	On-Demand	Anodyne	GPR119	34	47
C[C@@H](CNC(=O)N1CCC(c2ccon2)CC1)N1CCCCC1	ZINC000852185693	DE	On-Demand	Anodyne	SMO	36	47
CNC(=O)CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852185747	ED	On-Demand	Clean	MTNR1A	19	50
CNC(=O)CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852185747	ED	On-Demand	Clean	MTNR1B	15	50
CNC(=O)CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852185748	ED	On-Demand	Clean	MTNR1A	19	50
CNC(=O)CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852185748	ED	On-Demand	Clean	MTNR1B	15	50
NC(=O)[C@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185773	EE	On-Demand	Anodyne	CHRM2	23	40
NC(=O)[C@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185773	EE	On-Demand	Anodyne	CHRM1	23	40
NC(=O)[C@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185773	EE	On-Demand	Anodyne	SLC6A1	66	33
NC(=O)[C@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185773	EE	On-Demand	Anodyne	CHRM4	16	40
NC(=O)[C@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185773	EE	On-Demand	Anodyne	CHRM3	40	40
NC(=O)[C@@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185774	EE	On-Demand	Anodyne	CHRM2	23	40
NC(=O)[C@@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185774	EE	On-Demand	Anodyne	CHRM1	23	40
NC(=O)[C@@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185774	EE	On-Demand	Anodyne	SLC6A1	66	33
NC(=O)[C@@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185774	EE	On-Demand	Anodyne	CHRM4	16	40
NC(=O)[C@@](O)(CN1CCC[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185774	EE	On-Demand	Anodyne	CHRM3	40	40
NC(=O)[C@@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185775	EE	On-Demand	Anodyne	CHRM2	23	40
NC(=O)[C@@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185775	EE	On-Demand	Anodyne	CHRM1	23	40
NC(=O)[C@@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185775	EE	On-Demand	Anodyne	SLC6A1	66	33
NC(=O)[C@@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185775	EE	On-Demand	Anodyne	CHRM4	16	40
NC(=O)[C@@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185775	EE	On-Demand	Anodyne	CHRM3	40	40
NC(=O)[C@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185776	EE	On-Demand	Anodyne	CHRM2	23	40
NC(=O)[C@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185776	EE	On-Demand	Anodyne	CHRM1	23	40
NC(=O)[C@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185776	EE	On-Demand	Anodyne	SLC6A1	66	33
NC(=O)[C@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185776	EE	On-Demand	Anodyne	CHRM4	16	40
NC(=O)[C@](O)(CN1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852185776	EE	On-Demand	Anodyne	CHRM3	40	40
Cc1cccc(C(C)C)c1NC(=O)CON=Cc1ccccc1C(F)(F)F	ZINC000852185794	GK	On-Demand	Mild	SOAT1	41	41
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCCCc2ccco2)CC1	ZINC000852185799	GE	On-Demand	Anodyne	HTR1A	17	41
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCCCc2ccco2)CC1	ZINC000852185799	GE	On-Demand	Anodyne	DRD2	21	42
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCCCc2ccco2)CC1	ZINC000852185799	GE	On-Demand	Anodyne	DRD4	40	31
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCCCc2ccco2)CC1	ZINC000852185799	GE	On-Demand	Anodyne	DRD3	35	41
C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185857	FD	On-Demand	Anodyne	AMY2	43	29
C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185858	FD	On-Demand	Anodyne	AMY2	43	29
CNC(=O)CCCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852185890	ED	On-Demand	Anodyne	MTNR1A	15	43
CNC(=O)CCCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852185891	ED	On-Demand	Anodyne	MTNR1A	15	43
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)N1CCCCC1	ZINC000852185905	ED	On-Demand	Anodyne	PYGL	33	46
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)N1CCCCC1	ZINC000852185905	ED	On-Demand	Anodyne	PYGM	29	46
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)N1CCCCC1	ZINC000852185905	ED	On-Demand	Anodyne	TPP2	43	31
Cc1nc(CN2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)c(C)o1	ZINC000852185940	FF	On-Demand	Anodyne	PDE8B	55	32
Cc1nc(CN2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)c(C)o1	ZINC000852185941	FF	On-Demand	Anodyne	PDE8B	55	32
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	CHRM2	23	40
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	CHRM1	26	40
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	HRH1	24	42
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	CHRM4	22	42
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	CHRM5	22	42
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	CHRM3	41	42
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	AMY2	46	33
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	CHRNA10	60	41
CN(C[C@@H]1CCCN1C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852185944	CC	On-Demand	Anodyne	ACKR3	64	35
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	CHRM2	23	40
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	CHRM1	26	40
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	HRH1	24	42
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	CHRM4	22	42
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	CHRM5	22	42
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	CHRM3	41	42
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	AMY2	46	33
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	CHRNA10	60	41
CN(C[C@@H]1CCCN1C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852185945	CC	On-Demand	Anodyne	ACKR3	64	35
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCCN2C)O1	ZINC000852185957	GC	On-Demand	Reactive	DRD2	33	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCCN2C)O1	ZINC000852185957	GC	On-Demand	Reactive	SIGMAR1	26	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC[C@H]2CCCN2C)O1	ZINC000852185958	GC	On-Demand	Reactive	DRD2	33	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC[C@H]2CCCN2C)O1	ZINC000852185958	GC	On-Demand	Reactive	SIGMAR1	26	40
C[C@@H](CCN(C)C)NC(=O)NCc1ncccn1	ZINC000852186069	CC	On-Demand	Anodyne	UTS2	45	32
CN1CCC(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852186098	FE	On-Demand	Clean	CCR3	18	43
CN1CCC(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852186098	FE	On-Demand	Clean	SIRT3	40	31
CN1CCC(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852186098	FE	On-Demand	Clean	SIRT2	45	32
CN1CCC(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852186098	FE	On-Demand	Clean	SIRT1	41	33
C[C@@H](CNC(=O)N1CCC(c2ccco2)CC1)N1CCCCC1	ZINC000852186121	DG	On-Demand	Anodyne	SMO	23	41
CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1ccccc1C(F)(F)F	ZINC000852186140	HK	On-Demand	Mild	SOAT1	58	46
C[C@@H](CCN(C)C)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852186159	ED	On-Demand	Anodyne	UTS2	53	32
C[C@@H](CCN(C)C)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852186161	ED	On-Demand	Anodyne	UTS2	53	32
CN(Cc1nnc(O)o1)Cc1cccc([N+](=O)[O-])c1Br	ZINC000852186168	EE	On-Demand	Bother	COLA	87	34
C[C@@H](CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCCC1	ZINC000852186216	FH	On-Demand	Anodyne	KCNH2	41	39
C[C@@H](CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCCC1	ZINC000852186216	FH	On-Demand	Anodyne	EPHX2	15	41
C[C@@H](CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCCC1	ZINC000852186216	FH	On-Demand	Anodyne	GLRA1	43	32
C[C@@H](CNC(=O)N1CCC2(CCc3ccccc3O2)CC1)N1CCCCC1	ZINC000852186227	FG	On-Demand	Anodyne	SCD1	18	44
C[C@@H](CNC(=O)N1CCC2(CCc3ccccc3O2)CC1)N1CCCCC1	ZINC000852186227	FG	On-Demand	Anodyne	SCD	30	44
C[C@@H](CNC(=O)N1CCC2(CCc3ccccc3O2)CC1)N1CCCCC1	ZINC000852186227	FG	On-Demand	Anodyne	TRPM8	21	50
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCc2ncccn2)CC1	ZINC000852186230	GD	On-Demand	Anodyne	HTR1A	32	43
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCc2ncccn2)CC1	ZINC000852186230	GD	On-Demand	Anodyne	DRD2	35	44
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCc2ncccn2)CC1	ZINC000852186230	GD	On-Demand	Anodyne	DRD3	53	39
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCc2ncccn2)CC1	ZINC000852186230	GD	On-Demand	Anodyne	HRP1_PLAFA	51	40
CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCc2ncccn2)CC1	ZINC000852186230	GD	On-Demand	Anodyne	GPR119	37	42
CN(CCCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1nnc(O)o1	ZINC000852186258	FF	On-Demand	Anodyne	GPR119	34	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN3CCC[C@H](C)C3)C2)cc1	ZINC000852186288	FF	On-Demand	Clean	BIRC2	37	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CN3CCC[C@H](C)C3)C2)cc1	ZINC000852186292	FF	On-Demand	Clean	BIRC2	37	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CN3CCC[C@@H](C)C3)C2)cc1	ZINC000852186295	FF	On-Demand	Clean	BIRC2	37	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)C2)cc1	ZINC000852186298	FF	On-Demand	Clean	BIRC2	37	43
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852186312	GD	On-Demand	Anodyne	CACNA1H	19	41
CC(C)(C)OC(=O)N1CCN(CCNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852186314	GD	On-Demand	Anodyne	CACNA1H	19	41
CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCC2SCCS2)CC1	ZINC000852186320	GD	On-Demand	Anodyne	CACNA1H	18	41
C=CCOCCCNC(=O)NC[C@H](C)N1CCCCC1	ZINC000852186350	CD	On-Demand	Mild	HRH2	16	41
C=CCOCCCNC(=O)NC[C@@H](C)N1CCCCC1	ZINC000852186352	CD	On-Demand	Mild	HRH2	16	41
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852186363	JG	On-Demand	Mild	TGM2	44	35
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852186363	JG	On-Demand	Mild	F13A1	62	43
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852186363	JG	On-Demand	Mild	AKR1C3	50	39
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852186363	JG	On-Demand	Mild	SFRP1	78	39
O=C(CON=Cc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852186363	JG	On-Demand	Mild	WNT3	45	31
C[C@@H](ON=Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc(Cl)c1	ZINC000852186388	FJ	On-Demand	Mild	KCNK3	54	39
C[C@@H](ON=Cc1ccccc1C(F)(F)F)C(=O)Nc1cccc(Cl)c1	ZINC000852186388	FJ	On-Demand	Mild	KCNK9	53	37
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CC4)C3)C2)cc1	ZINC000852186397	ED	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CC4)C3)C2)cc1	ZINC000852186397	ED	On-Demand	Clean	SLC6A5	22	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CC4)C3)C2)cc1	ZINC000852186399	ED	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CC4)C3)C2)cc1	ZINC000852186399	ED	On-Demand	Clean	SLC6A5	22	42
CCN1CCC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186419	FF	On-Demand	Anodyne	TACR2	69	38
CCN1CCC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186419	FF	On-Demand	Anodyne	TACR3	43	32
CCN1CCC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186419	FF	On-Demand	Anodyne	EPHX2	17	42
CCN1CCC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186422	FF	On-Demand	Anodyne	TACR2	69	38
CCN1CCC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186422	FF	On-Demand	Anodyne	TACR3	43	32
CCN1CCC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186422	FF	On-Demand	Anodyne	EPHX2	17	42
CCN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186424	FF	On-Demand	Anodyne	TACR2	69	38
CCN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186424	FF	On-Demand	Anodyne	TACR3	43	32
CCN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186424	FF	On-Demand	Anodyne	EPHX2	17	42
CCN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186426	FF	On-Demand	Anodyne	TACR2	69	38
CCN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186426	FF	On-Demand	Anodyne	TACR3	43	32
CCN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852186426	FF	On-Demand	Anodyne	EPHX2	17	42
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1CCN(C2CC2)C1	ZINC000852186437	GC	On-Demand	Clean	SLC6A5	18	41
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1CCN(C2CC2)C1	ZINC000852186439	GC	On-Demand	Clean	SLC6A5	18	41
COCCN1CCC(NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)CC1	ZINC000852186440	GD	On-Demand	Anodyne	MCHR1	15	42
COCCN1CCC(NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)CC1	ZINC000852186442	GD	On-Demand	Anodyne	MCHR1	15	42
CC(=O)Nc1cccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)c1	ZINC000852186481	GH	On-Demand	Mild	KCNK3	82	42
CC(=O)Nc1cccc(NC(=O)CON=Cc2ccccc2C(F)(F)F)c1	ZINC000852186481	GH	On-Demand	Mild	KCNK9	73	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCN(C2CC2)C1	ZINC000852186511	FD	On-Demand	Clean	SLC6A5	17	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCN(C2CC2)C1	ZINC000852186513	FD	On-Demand	Clean	SLC6A5	17	40
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C3CC3)C2)cc1	ZINC000852186515	ED	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C3CC3)C2)cc1	ZINC000852186515	ED	On-Demand	Clean	MCHR1	20	53
CN1CCC(CCNC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852186564	FF	On-Demand	Anodyne	ACHE	29	44
CN1CCC(CCNC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852186564	FF	On-Demand	Anodyne	HTR4	43	37
CN1CCC(CCNC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852186566	FF	On-Demand	Anodyne	ACHE	29	44
CN1CCC(CCNC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852186566	FF	On-Demand	Anodyne	HTR4	43	37
CNS(=O)(=O)c1ccc(CN2C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)cc1	ZINC000852186591	GE	On-Demand	Anodyne	GPR119	27	49
C[C@@H](CCN(C)C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852186603	FG	On-Demand	Anodyne	FPR1	44	32
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	DRD2	23	42
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	DRD4	45	37
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	DRD3	30	42
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	HTR4	53	39
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	LTA4H	18	45
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	SIGMAR1	28	47
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	CCR3	26	41
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	EPHX2	29	45
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	PDK1	42	35
COCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186606	GD	On-Demand	Clean	MCHR1	28	44
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	DRD2	23	42
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	DRD4	45	37
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	DRD3	30	42
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	HTR4	53	39
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	LTA4H	18	45
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	SIGMAR1	28	47
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	CCR3	26	41
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	EPHX2	29	45
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	PDK1	42	35
COCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852186608	GD	On-Demand	Clean	MCHR1	28	44
COCCN1CCC(NC(=O)N2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852186610	EC	On-Demand	Anodyne	HTR4	25	41
COCCN1CCC(NC(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852186612	EC	On-Demand	Anodyne	HTR4	25	41
C[C@@H](CCN(C)C)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852186634	CC	On-Demand	Reactive	UTS2	67	33
C[C@@H](CCN(C)C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852186636	EF	On-Demand	Anodyne	UTS2	72	38
C[C@@H](CCN(C)C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852186638	EF	On-Demand	Anodyne	UTS2	72	38
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2CC(=O)Nc1ccc(Cl)nc1	ZINC000852186645	GF	On-Demand	Anodyne	GPR119	18	41
CN1CCC(CCNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852186660	DC	On-Demand	Reactive	HTR1F	47	34
CN1CCC(CCNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852186660	DC	On-Demand	Reactive	SIRT3	40	32
CN1CCC(CCNC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852186660	DC	On-Demand	Reactive	SIRT1	40	32
O=C(CON=Cc1ccccc1C(F)(F)F)NCc1cccc(Cl)c1	ZINC000852186683	FI	On-Demand	Mild	PDS	59	42
OCC[C@@H]1CCCN(Cc2cccc(F)n2)CC1	ZINC000852186746	CE	On-Demand	Anodyne	ACHE	19	41
OCC[C@H]1CCCN(Cc2cccc(F)n2)CC1	ZINC000852186747	CE	On-Demand	Anodyne	ACHE	19	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(C)C3)C2)cc1	ZINC000852186759	ED	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(C)C3)C2)cc1	ZINC000852186759	ED	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(C)C3)C2)cc1	ZINC000852186761	ED	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(C)C3)C2)cc1	ZINC000852186761	ED	On-Demand	Clean	MTNR1B	17	47
COCCN1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852186774	GD	On-Demand	Anodyne	HTR4	53	40
COCCN1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852186774	GD	On-Demand	Anodyne	PDK1	43	36
COCCN1CCC(NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)CC1	ZINC000852186774	GD	On-Demand	Anodyne	MCHR1	15	42
CCN1CCC[C@@H](NC(=O)N2CCC(NC(=O)OC)CC2)C1	ZINC000852186780	DD	On-Demand	Anodyne	EPHX2	15	42
CCN1CCC[C@H](NC(=O)N2CCC(NC(=O)OC)CC2)C1	ZINC000852186782	DD	On-Demand	Anodyne	EPHX2	15	42
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCN(C2CC2)C1	ZINC000852186822	DC	On-Demand	Reactive	SLC6A5	17	40
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCN(C2CC2)C1	ZINC000852186824	DC	On-Demand	Reactive	SLC6A5	17	40
C[C@@H](CCN(C)C)NC(=O)NNc1ccc(Cl)cn1	ZINC000852186835	CD	On-Demand	Reactive	F10	32	42
C[C@@H](CCN(C)C)NC(=O)NNc1ccc(Cl)cn1	ZINC000852186835	CD	On-Demand	Reactive	UTS2	49	39
CN(Cc1ccc(Cl)nc1)Cc1nnc(O)o1	ZINC000852186881	CD	On-Demand	Anodyne	Q8WSF8_APLCA	20	43
CN(Cc1ccc(Cl)nc1)Cc1nnc(O)o1	ZINC000852186881	CD	On-Demand	Anodyne	NACHRBETA2	29	43
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(C2CC2)C1	ZINC000852186889	CD	On-Demand	Reactive	SLC6A5	18	45
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(C2CC2)C1	ZINC000852186890	CD	On-Demand	Reactive	SLC6A5	18	45
NC(=O)[C@](O)(CN1CCC[C@@H](CCO)CC1)c1ccccc1	ZINC000852186926	DC	On-Demand	Anodyne	CHRM2	25	42
NC(=O)[C@](O)(CN1CCC[C@@H](CCO)CC1)c1ccccc1	ZINC000852186926	DC	On-Demand	Anodyne	CHRM1	25	42
NC(=O)[C@](O)(CN1CCC[C@@H](CCO)CC1)c1ccccc1	ZINC000852186926	DC	On-Demand	Anodyne	CHRM3	40	42
NC(=O)[C@](O)(CN1CCC[C@@H](CCO)CC1)c1ccccc1	ZINC000852186926	DC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@@](O)(CN1CCC[C@@H](CCO)CC1)c1ccccc1	ZINC000852186928	DC	On-Demand	Anodyne	CHRM2	25	42
NC(=O)[C@@](O)(CN1CCC[C@@H](CCO)CC1)c1ccccc1	ZINC000852186928	DC	On-Demand	Anodyne	CHRM1	25	42
NC(=O)[C@@](O)(CN1CCC[C@@H](CCO)CC1)c1ccccc1	ZINC000852186928	DC	On-Demand	Anodyne	CHRM3	40	42
NC(=O)[C@@](O)(CN1CCC[C@@H](CCO)CC1)c1ccccc1	ZINC000852186928	DC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@@](O)(CN1CCC[C@H](CCO)CC1)c1ccccc1	ZINC000852186930	DC	On-Demand	Anodyne	CHRM2	25	42
NC(=O)[C@@](O)(CN1CCC[C@H](CCO)CC1)c1ccccc1	ZINC000852186930	DC	On-Demand	Anodyne	CHRM1	25	42
NC(=O)[C@@](O)(CN1CCC[C@H](CCO)CC1)c1ccccc1	ZINC000852186930	DC	On-Demand	Anodyne	CHRM3	40	42
NC(=O)[C@@](O)(CN1CCC[C@H](CCO)CC1)c1ccccc1	ZINC000852186930	DC	On-Demand	Anodyne	CYP2J2	46	33
NC(=O)[C@](O)(CN1CCC[C@H](CCO)CC1)c1ccccc1	ZINC000852186932	DC	On-Demand	Anodyne	CHRM2	25	42
NC(=O)[C@](O)(CN1CCC[C@H](CCO)CC1)c1ccccc1	ZINC000852186932	DC	On-Demand	Anodyne	CHRM1	25	42
NC(=O)[C@](O)(CN1CCC[C@H](CCO)CC1)c1ccccc1	ZINC000852186932	DC	On-Demand	Anodyne	CHRM3	40	42
NC(=O)[C@](O)(CN1CCC[C@H](CCO)CC1)c1ccccc1	ZINC000852186932	DC	On-Demand	Anodyne	CYP2J2	46	33
CCN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852186954	GG	On-Demand	Anodyne	CCR3	53	38
CCN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852186954	GG	On-Demand	Anodyne	EPHX2	27	42
CCN1CCC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852186956	GG	On-Demand	Anodyne	CCR3	53	38
CCN1CCC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852186956	GG	On-Demand	Anodyne	EPHX2	27	42
COC(=O)c1nc(CNC(=O)N[C@@H](C)CCN(C)C)ccc1Cl	ZINC000852186975	ED	On-Demand	Anodyne	UTS2	42	36
COC(=O)c1nc(CNC(=O)N[C@H](C)CCN(C)C)ccc1Cl	ZINC000852186977	ED	On-Demand	Anodyne	UTS2	42	36
NC(=O)[C@](O)(CN1CC[C@@H](O)CC12CCC2)c1ccccc1	ZINC000852187045	DC	On-Demand	Anodyne	SLC12A5	52	35
NC(=O)[C@@](O)(CN1CC[C@@H](O)CC12CCC2)c1ccccc1	ZINC000852187047	DC	On-Demand	Anodyne	SLC12A5	52	35
NC(=O)[C@@](O)(CN1CC[C@H](O)CC12CCC2)c1ccccc1	ZINC000852187048	DC	On-Demand	Anodyne	SLC12A5	52	35
NC(=O)[C@](O)(CN1CC[C@H](O)CC12CCC2)c1ccccc1	ZINC000852187049	DC	On-Demand	Anodyne	SLC12A5	52	35
CN(CC1=NS(=O)(=O)c2ccccc21)C[C@H]1CCCN1C	ZINC000852187050	DD	On-Demand	Anodyne	CHRNA10	61	40
CN(CC1=NS(=O)(=O)c2ccccc21)C[C@@H]1CCCN1C	ZINC000852187051	DD	On-Demand	Anodyne	CHRNA10	61	40
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	HTR1A	21	40
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	DRD2	34	41
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	DRD4	43	48
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	HTR2A	19	48
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	DRD3	47	41
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	HTR4	82	40
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	HTR7	18	44
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	SIGMAR1	22	43
COCCN1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852187067	FE	On-Demand	Anodyne	MCHR1	20	43
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	HTR1A	21	40
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	DRD2	34	41
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	DRD4	43	48
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	HTR2A	19	48
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	DRD3	47	41
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	HTR4	82	40
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	HTR7	18	44
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	SIGMAR1	22	43
COCCN1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852187068	FE	On-Demand	Anodyne	MCHR1	20	43
O=C(NCc1ncccn1)N[C@H]1CCN(C2CC2)C1	ZINC000852187110	CC	On-Demand	Anodyne	CCR2	17	44
O=C(NCc1ncccn1)N[C@H]1CCN(C2CC2)C1	ZINC000852187110	CC	On-Demand	Anodyne	SLC6A5	17	41
O=C(NCc1ncccn1)N[C@@H]1CCN(C2CC2)C1	ZINC000852187111	CC	On-Demand	Anodyne	CCR2	17	44
O=C(NCc1ncccn1)N[C@@H]1CCN(C2CC2)C1	ZINC000852187111	CC	On-Demand	Anodyne	SLC6A5	17	41
CN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187128	EE	On-Demand	Anodyne	SLC6A3	18	43
CN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187128	EE	On-Demand	Anodyne	ADRB3	16	41
CN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187128	EE	On-Demand	Anodyne	TACR2	68	37
CN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187128	EE	On-Demand	Anodyne	TACR3	44	32
CN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187128	EE	On-Demand	Anodyne	EPHX2	17	41
CN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187131	EE	On-Demand	Anodyne	SLC6A3	18	43
CN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187131	EE	On-Demand	Anodyne	ADRB3	16	41
CN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187131	EE	On-Demand	Anodyne	TACR2	68	37
CN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187131	EE	On-Demand	Anodyne	TACR3	44	32
CN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852187131	EE	On-Demand	Anodyne	EPHX2	17	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN3C)C2)cc1	ZINC000852187135	ED	On-Demand	Clean	DRD4	44	35
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN3C)C2)cc1	ZINC000852187135	ED	On-Demand	Clean	MTNR1A	19	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN3C)C2)cc1	ZINC000852187135	ED	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN3C)C2)cc1	ZINC000852187135	ED	On-Demand	Clean	CHRNA10	58	38
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN3C)C2)cc1	ZINC000852187135	ED	On-Demand	Clean	ACKR3	62	32
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN3C)C2)cc1	ZINC000852187137	ED	On-Demand	Clean	DRD4	44	35
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN3C)C2)cc1	ZINC000852187137	ED	On-Demand	Clean	MTNR1A	19	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN3C)C2)cc1	ZINC000852187137	ED	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN3C)C2)cc1	ZINC000852187137	ED	On-Demand	Clean	CHRNA10	58	38
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN3C)C2)cc1	ZINC000852187137	ED	On-Demand	Clean	ACKR3	62	32
CN1CCC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852187173	CD	On-Demand	Reactive	F10	24	40
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C[C@](O)(C(N)=O)c1ccccc1	ZINC000852187218	GD	On-Demand	Anodyne	AMY2	54	31
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852187220	GD	On-Demand	Anodyne	AMY2	54	31
CN(CC=C(Cl)Cl)C[C@H]1CCCN1C	ZINC000852187222	BE	On-Demand	Anodyne	CHRNA10	48	33
CN(CC=C(Cl)Cl)C[C@@H]1CCCN1C	ZINC000852187224	BE	On-Demand	Anodyne	CHRNA10	48	33
O=C(CON=Cc1ccccc1C(F)(F)F)N[C@@H]1CCCc2ccccc21	ZINC000852187243	GI	On-Demand	Mild	BDKRB1	32	43
O=C(CON=Cc1ccccc1C(F)(F)F)N[C@@H]1CCCc2ccccc21	ZINC000852187243	GI	On-Demand	Mild	RBP4	41	33
O=C(CON=Cc1ccccc1C(F)(F)F)N[C@H]1CCCc2ccccc21	ZINC000852187246	GI	On-Demand	Mild	BDKRB1	32	43
O=C(CON=Cc1ccccc1C(F)(F)F)N[C@H]1CCCc2ccccc21	ZINC000852187246	GI	On-Demand	Mild	RBP4	41	33
CN(C[C@@H]1CCCN1C)C[C@H]1CNC(=O)C1	ZINC000852187248	BC	On-Demand	Anodyne	CHRNA10	44	33
CN(C[C@@H]1CNC(=O)C1)C[C@@H]1CCCN1C	ZINC000852187249	BC	On-Demand	Anodyne	CHRNA10	44	33
CN(C[C@@H]1CNC(=O)C1)C[C@H]1CCCN1C	ZINC000852187250	BC	On-Demand	Anodyne	CHRNA10	44	33
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCCN(C)C2)O1	ZINC000852187251	GC	On-Demand	Reactive	DRD4	26	43
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCCN(C)C2)O1	ZINC000852187251	GC	On-Demand	Reactive	SIGMAR1	29	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCCN(C)C2)O1	ZINC000852187252	GC	On-Demand	Reactive	DRD4	26	43
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCCN(C)C2)O1	ZINC000852187252	GC	On-Demand	Reactive	SIGMAR1	29	42
COCCN1CCC(NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)CC1	ZINC000852187257	GC	On-Demand	Reactive	HTR4	26	40
COC(=O)c1nc(CNC(=O)NC[C@H]2CCCN2C)ccc1Cl	ZINC000852187281	ED	On-Demand	Anodyne	CHRNA10	50	42
CN(Cc1nnc(O)o1)C[C@H](O)c1ccccc1	ZINC000852187301	BC	On-Demand	Anodyne	AOC3	24	48
CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187324	EE	On-Demand	Clean	DRD2	19	44
CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187324	EE	On-Demand	Clean	HRH3	15	41
CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187324	EE	On-Demand	Clean	SIGMAR1	16	43
CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187324	EE	On-Demand	Clean	CCR3	21	42
CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187324	EE	On-Demand	Clean	MTNR1B	16	50
CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187324	EE	On-Demand	Clean	EPHX2	24	45
CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187324	EE	On-Demand	Clean	MCHR1	19	41
CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187324	EE	On-Demand	Clean	BIRC2	34	44
CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187325	EE	On-Demand	Clean	DRD2	19	44
CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187325	EE	On-Demand	Clean	HRH3	15	41
CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187325	EE	On-Demand	Clean	SIGMAR1	16	43
CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187325	EE	On-Demand	Clean	CCR3	21	42
CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187325	EE	On-Demand	Clean	MTNR1B	16	50
CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187325	EE	On-Demand	Clean	EPHX2	24	45
CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187325	EE	On-Demand	Clean	MCHR1	19	41
CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187325	EE	On-Demand	Clean	BIRC2	34	44
CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187326	EE	On-Demand	Clean	DRD2	19	44
CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187326	EE	On-Demand	Clean	HRH3	15	41
CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187326	EE	On-Demand	Clean	SIGMAR1	16	43
CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187326	EE	On-Demand	Clean	CCR3	21	42
CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187326	EE	On-Demand	Clean	MTNR1B	16	50
CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187326	EE	On-Demand	Clean	EPHX2	24	45
CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187326	EE	On-Demand	Clean	MCHR1	19	41
CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187326	EE	On-Demand	Clean	BIRC2	34	44
CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187327	EE	On-Demand	Clean	DRD2	19	44
CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187327	EE	On-Demand	Clean	HRH3	15	41
CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187327	EE	On-Demand	Clean	SIGMAR1	16	43
CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187327	EE	On-Demand	Clean	CCR3	21	42
CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187327	EE	On-Demand	Clean	MTNR1B	16	50
CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187327	EE	On-Demand	Clean	EPHX2	24	45
CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187327	EE	On-Demand	Clean	MCHR1	19	41
CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852187327	EE	On-Demand	Clean	BIRC2	34	44
COCCN(CCF)C(=O)NC[C@H]1CCCN1C	ZINC000852187423	CC	On-Demand	Anodyne	CHRNA10	53	33
COCCN(CCF)C(=O)NC[C@H]1CCCN1C	ZINC000852187423	CC	On-Demand	Anodyne	ACKR3	68	34
COCCN(CCF)C(=O)NC[C@@H]1CCCN1C	ZINC000852187424	CC	On-Demand	Anodyne	CHRNA10	53	33
COCCN(CCF)C(=O)NC[C@@H]1CCCN1C	ZINC000852187424	CC	On-Demand	Anodyne	ACKR3	68	34
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCN1C	ZINC000852187445	CC	On-Demand	Anodyne	ACKR3	62	32
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCN1C	ZINC000852187446	CC	On-Demand	Anodyne	ACKR3	62	32
CN(CCOC(F)F)C[C@H]1CCCN1C	ZINC000852187466	BD	On-Demand	Anodyne	CHRNA10	54	35
CN(CCOC(F)F)C[C@@H]1CCCN1C	ZINC000852187467	BD	On-Demand	Anodyne	CHRNA10	54	35
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)C3CC3)C2)cc1	ZINC000852187500	DF	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)C3CC3)C2)cc1	ZINC000852187500	DF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)C3CC3)C2)cc1	ZINC000852187502	DF	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)C3CC3)C2)cc1	ZINC000852187502	DF	On-Demand	Clean	MTNR1B	18	47
CN1CCC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187510	FG	On-Demand	Anodyne	ADRB1	16	43
CN1CCC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187510	FG	On-Demand	Anodyne	SLC6A3	26	40
CN1CCC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187510	FG	On-Demand	Anodyne	ADRB3	24	44
CN1CCC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187510	FG	On-Demand	Anodyne	TACR2	31	47
CN1CCC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187510	FG	On-Demand	Anodyne	CACNA1I	46	39
CN1CCC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187510	FG	On-Demand	Anodyne	SIRT2	43	31
CN1CCC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187510	FG	On-Demand	Anodyne	SIRT1	40	33
CN1CCC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187511	FG	On-Demand	Anodyne	ADRB1	16	43
CN1CCC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187511	FG	On-Demand	Anodyne	SLC6A3	26	40
CN1CCC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187511	FG	On-Demand	Anodyne	ADRB3	24	44
CN1CCC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187511	FG	On-Demand	Anodyne	TACR2	31	47
CN1CCC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187511	FG	On-Demand	Anodyne	CACNA1I	46	39
CN1CCC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187511	FG	On-Demand	Anodyne	SIRT2	43	31
CN1CCC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852187511	FG	On-Demand	Anodyne	SIRT1	40	33
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(C2CC2)C1	ZINC000852187534	EE	On-Demand	Anodyne	DRD4	18	41
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(C2CC2)C1	ZINC000852187534	EE	On-Demand	Anodyne	SIGMAR1	17	41
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(C2CC2)C1	ZINC000852187534	EE	On-Demand	Anodyne	SLC6A5	19	42
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(C2CC2)C1	ZINC000852187535	EE	On-Demand	Anodyne	DRD4	18	41
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(C2CC2)C1	ZINC000852187535	EE	On-Demand	Anodyne	SIGMAR1	17	41
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(C2CC2)C1	ZINC000852187535	EE	On-Demand	Anodyne	SLC6A5	19	42
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(C2CC2)C1	ZINC000852187536	EE	On-Demand	Anodyne	DRD4	18	41
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(C2CC2)C1	ZINC000852187536	EE	On-Demand	Anodyne	SIGMAR1	17	41
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(C2CC2)C1	ZINC000852187536	EE	On-Demand	Anodyne	SLC6A5	19	42
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(C2CC2)C1	ZINC000852187537	EE	On-Demand	Anodyne	DRD4	18	41
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(C2CC2)C1	ZINC000852187537	EE	On-Demand	Anodyne	SIGMAR1	17	41
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(C2CC2)C1	ZINC000852187537	EE	On-Demand	Anodyne	SLC6A5	19	42
COCCN1CCC(NC(=O)NCc2ccc(N3CCCNC3=O)cc2)CC1	ZINC000852187558	GD	On-Demand	Anodyne	MCHR1	15	46
COCCN1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852187656	CC	On-Demand	Anodyne	DRD4	17	42
COCCN1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852187656	CC	On-Demand	Anodyne	HTR4	49	37
COCCN1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852187656	CC	On-Demand	Anodyne	LTA4H	15	43
COCCN1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852187656	CC	On-Demand	Anodyne	SSTR5	42	36
COCCN1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852187656	CC	On-Demand	Anodyne	EPHX2	27	42
COCCN1CCC(NC(=O)NCc2ncccn2)CC1	ZINC000852187656	CC	On-Demand	Anodyne	MCHR1	15	42
COc1ccc2c(CN(C)Cc3nnc(O)o3)cc(=O)oc2c1	ZINC000852187688	DD	On-Demand	Anodyne	CYP19A1	15	48
COc1ccc2c(CN(C)Cc3nnc(O)o3)cc(=O)oc2c1	ZINC000852187688	DD	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN(C)Cc3nnc(O)o3)cc(=O)oc2c1	ZINC000852187688	DD	On-Demand	Anodyne	MAOA	52	40
COc1ccc2c(CN(C)Cc3nnc(O)o3)cc(=O)oc2c1	ZINC000852187688	DD	On-Demand	Anodyne	MAOB	38	42
COc1ccc2c(CN(C)Cc3nnc(O)o3)cc(=O)oc2c1	ZINC000852187688	DD	On-Demand	Anodyne	HSD17B3	23	42
CN1CCC(CCNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852187694	GH	On-Demand	Anodyne	NPY1R	31	40
CN1CCC(CCNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852187694	GH	On-Demand	Anodyne	CCR3	62	42
CN1CCC(CCNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852187694	GH	On-Demand	Anodyne	ST14	27	40
CN1C[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1=O	ZINC000852187721	FE	On-Demand	Anodyne	CCKAR	20	47
CN1C[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1=O	ZINC000852187721	FE	On-Demand	Anodyne	CCKBR	19	47
CN1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1=O	ZINC000852187722	FE	On-Demand	Anodyne	CCKAR	20	47
CN1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1=O	ZINC000852187722	FE	On-Demand	Anodyne	CCKBR	19	47
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000852187767	GF	On-Demand	Anodyne	DRD4	22	42
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000852187767	GF	On-Demand	Anodyne	HPGDS	38	43
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000852187768	GF	On-Demand	Anodyne	DRD4	22	42
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000852187768	GF	On-Demand	Anodyne	HPGDS	38	43
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000852187769	GF	On-Demand	Anodyne	DRD4	22	42
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000852187769	GF	On-Demand	Anodyne	HPGDS	38	43
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000852187770	GF	On-Demand	Anodyne	DRD4	22	42
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000852187770	GF	On-Demand	Anodyne	HPGDS	38	43
CN1C[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1=O	ZINC000852187779	ED	On-Demand	Anodyne	TACR2	44	35
CN1C[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1=O	ZINC000852187780	ED	On-Demand	Anodyne	TACR2	44	35
CN1C[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1=O	ZINC000852187781	ED	On-Demand	Anodyne	TACR2	44	35
C[C@@H](CCN(C)C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852187783	EF	On-Demand	Anodyne	UTS2	70	37
C[C@@H](CCN(C)C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852187785	EF	On-Demand	Anodyne	UTS2	70	37
CCN1CCC[C@H](NC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1	ZINC000852187824	GF	On-Demand	Anodyne	CCR2	17	43
CCN1CCC[C@@H](NC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1	ZINC000852187825	GF	On-Demand	Anodyne	CCR2	17	43
CN1CCC(CCNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852187829	DE	On-Demand	Reactive	F10	38	42
CN1CCC(CCNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852187829	DE	On-Demand	Reactive	CACNA1I	41	33
CN1CCC(CCNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852187829	DE	On-Demand	Reactive	SIRT3	49	30
CN1CCC(CCNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852187829	DE	On-Demand	Reactive	SIRT2	50	31
CN1CCC(CCNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852187829	DE	On-Demand	Reactive	SIRT1	49	30
CN1C[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1=O	ZINC000852187851	ED	On-Demand	Anodyne	TACR2	44	35
COCCN1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852187929	GD	On-Demand	Clean	EPHX2	18	42
COCCN1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852187929	GD	On-Demand	Clean	MCHR1	24	48
CC(=O)c1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852187966	GI	On-Demand	Mild	TAAR1	21	41
CC(=O)c1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852187966	GI	On-Demand	Mild	KCNK3	77	42
CC(=O)c1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852187966	GI	On-Demand	Mild	KCNK9	67	36
CC(=O)c1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852187967	GI	On-Demand	Mild	TAAR1	21	41
CC(=O)c1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852187967	GI	On-Demand	Mild	KCNK3	77	42
CC(=O)c1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852187967	GI	On-Demand	Mild	KCNK9	67	36
COCCN1CCC(NC(=O)N2CCC(N3CCOC3=O)CC2)CC1	ZINC000852188013	FC	On-Demand	Anodyne	HTR4	17	40
Cc1ccccc1CCNC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852188054	IK	On-Demand	Anodyne	MAOB	16	40
Cc1ccccc1CCNC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852188054	IK	On-Demand	Anodyne	MTNR1A	58	39
Cc1ccccc1CCNC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852188054	IK	On-Demand	Anodyne	MTNR1B	42	39
Cc1ccccc1CCNC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852188055	IK	On-Demand	Anodyne	MAOB	16	40
Cc1ccccc1CCNC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852188055	IK	On-Demand	Anodyne	MTNR1A	58	39
Cc1ccccc1CCNC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852188055	IK	On-Demand	Anodyne	MTNR1B	42	39
CN(Cc1nnc(O)o1)Cc1cnc(Cl)s1	ZINC000852188069	CD	On-Demand	Anodyne	NACHRBETA2	15	43
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000852188081	ED	On-Demand	Reactive	F10	15	41
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000852188081	ED	On-Demand	Reactive	HPGDS	38	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCN(C)C)C2)cc1	ZINC000852188083	ED	On-Demand	Clean	MCHR1	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCN(C)C)C2)cc1	ZINC000852188084	ED	On-Demand	Clean	MCHR1	15	44
COC(=O)c1nc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)ccc1Cl	ZINC000852188101	FD	On-Demand	Anodyne	SLC6A5	18	45
COC(=O)c1nc(CNC(=O)N[C@H]2CCN(C3CC3)C2)ccc1Cl	ZINC000852188102	FD	On-Demand	Anodyne	SLC6A5	18	45
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(C2CC2)C1	ZINC000852188137	FF	On-Demand	Anodyne	ADRB3	15	43
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(C2CC2)C1	ZINC000852188137	FF	On-Demand	Anodyne	SLC6A5	15	46
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(C2CC2)C1	ZINC000852188138	FF	On-Demand	Anodyne	ADRB3	15	43
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(C2CC2)C1	ZINC000852188138	FF	On-Demand	Anodyne	SLC6A5	15	46
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(C2CC2)C1	ZINC000852188139	FF	On-Demand	Anodyne	ADRB3	15	43
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(C2CC2)C1	ZINC000852188139	FF	On-Demand	Anodyne	SLC6A5	15	46
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(C2CC2)C1	ZINC000852188140	FF	On-Demand	Anodyne	ADRB3	15	43
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(C2CC2)C1	ZINC000852188140	FF	On-Demand	Anodyne	SLC6A5	15	46
CO[C@@H]1CC[C@@H](N(C)C[C@@H]2CCCN2C)C1	ZINC000852188169	BD	On-Demand	Anodyne	CHRNA10	61	38
CO[C@@H]1CC[C@@H](N(C)C[C@H]2CCCN2C)C1	ZINC000852188171	BD	On-Demand	Anodyne	CHRNA10	61	38
CN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852188181	FF	On-Demand	Anodyne	CCKAR	16	44
CN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852188181	FF	On-Demand	Anodyne	CCR3	61	39
CN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852188181	FF	On-Demand	Anodyne	EPHX2	27	41
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	DRD2	15	41
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	SLC6A3	16	43
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	HTR4	71	40
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	ADRB3	15	40
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	TACR1	35	40
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	TACR2	99	39
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	SIGMAR1	20	42
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	CCR3	40	39
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	UTS2R	23	40
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	TACR3	46	35
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	EPHX2	26	43
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	PDK1	40	34
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	MCHR1	19	44
COCCN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188192	GE	On-Demand	Anodyne	CACNA1I	54	41
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	DRD2	15	41
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	SLC6A3	16	43
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	HTR4	71	40
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	ADRB3	15	40
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	TACR1	35	40
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	TACR2	99	39
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	SIGMAR1	20	42
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	CCR3	40	39
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	UTS2R	23	40
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	TACR3	46	35
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	EPHX2	26	43
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	PDK1	40	34
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	MCHR1	19	44
COCCN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852188194	GE	On-Demand	Anodyne	CACNA1I	54	41
CN(C[C@@H]1CCCN1C)CC(F)(F)Br	ZINC000852188269	CE	On-Demand	Anodyne	CHRNA10	61	38
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C[C@@H](O)c1ccccn1	ZINC000852188276	EE	On-Demand	Anodyne	GPR119	20	42
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C[C@H](O)c1ccccn1	ZINC000852188277	EE	On-Demand	Anodyne	GPR119	20	42
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000852188280	ED	On-Demand	Reactive	F10	15	41
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000852188280	ED	On-Demand	Reactive	HPGDS	38	41
CN1CCC[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188292	FF	On-Demand	Anodyne	SLC6A3	19	41
CN1CCC[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188292	FF	On-Demand	Anodyne	TACR2	68	37
CN1CCC[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188292	FF	On-Demand	Anodyne	CCR3	31	44
CN1CCC[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188292	FF	On-Demand	Anodyne	TACR3	43	32
CN1CCC[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188292	FF	On-Demand	Anodyne	CACNA1I	65	41
CN1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188293	FF	On-Demand	Anodyne	SLC6A3	19	41
CN1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188293	FF	On-Demand	Anodyne	TACR2	68	37
CN1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188293	FF	On-Demand	Anodyne	CCR3	31	44
CN1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188293	FF	On-Demand	Anodyne	TACR3	43	32
CN1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852188293	FF	On-Demand	Anodyne	CACNA1I	65	41
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000852188341	EC	On-Demand	Reactive	HPGDS	39	47
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000852188342	EC	On-Demand	Reactive	HPGDS	39	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188362	GE	On-Demand	Clean	SIGMAR1	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188362	GE	On-Demand	Clean	CCR3	28	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188362	GE	On-Demand	Clean	CCR2	17	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188362	GE	On-Demand	Clean	MCHR1	27	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188362	GE	On-Demand	Clean	HPGDS	36	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188363	GE	On-Demand	Clean	SIGMAR1	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188363	GE	On-Demand	Clean	CCR3	28	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188363	GE	On-Demand	Clean	CCR2	17	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188363	GE	On-Demand	Clean	MCHR1	27	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)(F)F)C3)C2)cc1	ZINC000852188363	GE	On-Demand	Clean	HPGDS	36	43
CCN1CCC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852188385	CC	On-Demand	Anodyne	BIRC2	37	41
CCN1CCC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852188386	CC	On-Demand	Anodyne	BIRC2	37	41
CC1(C)[C@@H](c2ccccc2)CCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852188469	EF	On-Demand	Anodyne	CHRM3	38	40
CC1(C)[C@@H](c2ccccc2)CCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852188471	EF	On-Demand	Anodyne	CHRM3	38	40
CN(Cc1nnc(O)o1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852188518	GD	On-Demand	Anodyne	CTSD	31	44
CN(Cc1nnc(O)o1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852188518	GD	On-Demand	Anodyne	PGC	57	38
CN(Cc1nnc(O)o1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852188518	GD	On-Demand	Anodyne	PAPA1_CARPA	34	40
CN(Cc1nnc(O)o1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852188518	GD	On-Demand	Anodyne	REN	71	44
CN(Cc1nnc(O)o1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852188518	GD	On-Demand	Anodyne	REN1	17	43
CN(Cc1nnc(O)o1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852188518	GD	On-Demand	Anodyne	BACE1	19	42
CN(Cc1nnc(O)o1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852188518	GD	On-Demand	Anodyne	FPR1	46	38
COCCN1CCC(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)CC1	ZINC000852188566	FE	On-Demand	Anodyne	HTR1A	25	49
COCCN1CCC(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)CC1	ZINC000852188566	FE	On-Demand	Anodyne	DRD2	27	40
COCCN1CCC(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)CC1	ZINC000852188566	FE	On-Demand	Anodyne	HTR1B	22	49
COCCN1CCC(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)CC1	ZINC000852188566	FE	On-Demand	Anodyne	DRD3	35	40
COCCN(CCF)C(=O)NC[C@H]1CCCN(C)C1	ZINC000852188604	CC	On-Demand	Anodyne	ACKR3	53	29
COCCN(CCF)C(=O)NC[C@@H]1CCCN(C)C1	ZINC000852188605	CC	On-Demand	Anodyne	ACKR3	53	29
O=C(NCc1ncccn1)N[C@@H]1CCN(CC(F)(F)F)C1	ZINC000852188635	DC	On-Demand	Anodyne	HPGDS	39	43
O=C(NCc1ncccn1)N[C@H]1CCN(CC(F)(F)F)C1	ZINC000852188636	DC	On-Demand	Anodyne	HPGDS	39	43
CN1CCC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852188650	CC	On-Demand	Anodyne	CACNA1I	41	32
CC1(C)[C@@H](c2ccccc2)CCN1CCOC(F)F	ZINC000852188678	CG	On-Demand	Anodyne	SLC6A3	38	40
COCCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852188727	ED	On-Demand	Reactive	HTR4	58	41
COCCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852188727	ED	On-Demand	Reactive	F10	37	42
COCCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852188727	ED	On-Demand	Reactive	SSTR5	44	39
COCCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852188727	ED	On-Demand	Reactive	SLC6A5	35	40
COCCN1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852188727	ED	On-Demand	Reactive	MCHR1	22	43
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1nnc(O)o1	ZINC000852188736	EE	On-Demand	Anodyne	GPR119	39	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN(C)C3)C2)cc1	ZINC000852188737	ED	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN(C)C3)C2)cc1	ZINC000852188737	ED	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN(C)C3)C2)cc1	ZINC000852188738	ED	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN(C)C3)C2)cc1	ZINC000852188738	ED	On-Demand	Clean	MTNR1B	17	45
CN(Cc1nnc(O)o1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852188751	DE	On-Demand	Anodyne	LUCI_PHOPY	86	48
CN(Cc1nnc(O)o1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852188752	DE	On-Demand	Anodyne	LUCI_PHOPY	86	48
CN1CCC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852188800	CD	On-Demand	Reactive	F10	34	41
CN1CCC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852188800	CD	On-Demand	Reactive	CACNA1I	62	35
CSc1ccc(NC(=O)[C@H](C)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1	ZINC000852188831	IK	On-Demand	Anodyne	IMDH_CRYPV	36	41
CSc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1	ZINC000852188832	IK	On-Demand	Anodyne	IMDH_CRYPV	36	41
CN(Cc1nnc(O)o1)C[C@@H](O)c1ccccc1	ZINC000852188849	BC	On-Demand	Anodyne	AOC3	24	48
CN1CCC[C@H](CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852188852	ED	On-Demand	Anodyne	CACNA1I	47	32
CN1CCC[C@H](CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852188853	ED	On-Demand	Anodyne	CACNA1I	47	32
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCOC(C)(C)C3)C2)cc1	ZINC000852188856	GD	On-Demand	Clean	DRD4	43	36
CC(=O)Nc1ccc2c(CN(C)Cc3nnc(O)o3)cc(=O)oc2c1	ZINC000852188866	ED	On-Demand	Anodyne	HSD17B3	21	40
C[C@H](C(=O)Nc1cccnc1Cl)N(C)Cc1nnc(O)o1	ZINC000852188889	DD	On-Demand	Anodyne	G2YM83_BOTF4	64	31
CN(Cc1nnc(O)o1)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852188892	FE	On-Demand	Anodyne	GRIN2B	51	52
CN(Cc1nnc(O)o1)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852188892	FE	On-Demand	Anodyne	TGM2	23	44
CN(Cc1nnc(O)o1)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852188892	FE	On-Demand	Anodyne	F13A1	31	44
CN1CCC[C@H](CNC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)C1	ZINC000852188901	FE	On-Demand	Anodyne	CACNA1I	47	34
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1nnc(O)o1	ZINC000852188911	FD	On-Demand	Anodyne	MTOR	59	38
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1nnc(O)o1	ZINC000852188911	FD	On-Demand	Anodyne	STAT6	62	36
CN1CCC[C@H](CNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852188963	EF	On-Demand	Anodyne	HTR4	49	40
CN1CCC[C@H](CNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852188963	EF	On-Demand	Anodyne	CACNA1I	42	37
CN1CCC[C@H](CNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852188964	EF	On-Demand	Anodyne	HTR4	49	40
CN1CCC[C@H](CNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852188964	EF	On-Demand	Anodyne	CACNA1I	42	37
CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1nnc(O)o1	ZINC000852188967	GC	On-Demand	Bother	SSTR1	60	52
CN1CCC[C@H](CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852189007	GG	On-Demand	Anodyne	CCR3	71	41
CN1CCC[C@H](CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852189007	GG	On-Demand	Anodyne	EPHX2	15	43
CN1CCC[C@H](CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852189007	GG	On-Demand	Anodyne	CACNA1I	66	38
CCOC(=O)N1CCN(C(=O)[C@H](C)N(C)Cc2nnc(O)o2)CC1	ZINC000852189036	EB	On-Demand	Anodyne	P2RY12	47	36
CCOC(=O)N1CCN(C(=O)[C@@H](C)N(C)Cc2nnc(O)o2)CC1	ZINC000852189037	EB	On-Demand	Anodyne	P2RY12	47	36
CCOC(=O)Nc1ccc2c(CN(C)Cc3nnc(O)o3)cc(=O)oc2c1	ZINC000852189064	FE	On-Demand	Anodyne	MMP12	18	41
COc1ccc(N2CC[C@H](NC(=O)NCCC3CCN(C)CC3)C2)cc1	ZINC000852189089	FE	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCCC3CCN(C)CC3)C2)cc1	ZINC000852189089	FE	On-Demand	Clean	SLC6A5	32	40
COC(=O)c1nc(CNC(=O)NC[C@H]2CCCN(C)C2)ccc1Cl	ZINC000852189161	FD	On-Demand	Anodyne	CACNA1I	56	37
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2nnc(O)o2)c1	ZINC000852189204	DB	On-Demand	Reactive	KCNK3	52	37
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2nnc(O)o2)c1	ZINC000852189204	DB	On-Demand	Reactive	KCNK9	42	37
Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852189213	IK	On-Demand	Anodyne	MAOB	19	41
Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852189214	IK	On-Demand	Anodyne	MAOB	19	41
C#CCNC(=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189215	DD	On-Demand	Mild	HTR4	43	37
C#CCNC(=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189215	DD	On-Demand	Mild	GRIN2B	55	52
C#CCNC(=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189215	DD	On-Demand	Mild	HTR7	30	40
C#CCNC(=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189215	DD	On-Demand	Mild	PRCP	38	50
C#CCNC(=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189215	DD	On-Demand	Mild	PLD1	42	35
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccn1	ZINC000852189222	EF	On-Demand	Anodyne	DRD4	16	53
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccn1	ZINC000852189222	EF	On-Demand	Anodyne	GRIN2B	37	48
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccn1	ZINC000852189222	EF	On-Demand	Anodyne	CXCR4	34	40
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccn1	ZINC000852189223	EF	On-Demand	Anodyne	DRD4	16	53
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccn1	ZINC000852189223	EF	On-Demand	Anodyne	GRIN2B	37	48
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccn1	ZINC000852189223	EF	On-Demand	Anodyne	CXCR4	34	40
NS(=O)(=O)c1ccc(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189225	GF	On-Demand	Anodyne	CA2	28	45
NS(=O)(=O)c1ccc(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189225	GF	On-Demand	Anodyne	DRD4	15	44
NS(=O)(=O)c1ccc(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189225	GF	On-Demand	Anodyne	GRIN2B	52	52
NS(=O)(=O)c1ccc(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189225	GF	On-Demand	Anodyne	CA1	29	45
NS(=O)(=O)c1ccc(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189225	GF	On-Demand	Anodyne	CA12	20	40
NS(=O)(=O)c1ccc(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189225	GF	On-Demand	Anodyne	CA9	28	45
Brc1ncn(CCN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1	ZINC000852189230	GF	On-Demand	Anodyne	GRIN2B	34	47
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	DRD4	27	48
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	ACHE	25	45
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	KCNH2	16	42
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	ITGAL	43	35
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	CHRM3	27	41
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	SIGMAR1	25	48
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	SSTR5	49	37
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	CCR3	38	49
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	FAAH	16	41
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	CCR2	28	43
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	SLC6A5	24	40
O=C(NC1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189243	GE	On-Demand	Anodyne	MCHR1	55	47
NC(=O)NC(=O)OCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189244	FE	On-Demand	Anodyne	HTR4	52	39
NC(=O)NC(=O)OCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189244	FE	On-Demand	Anodyne	GRIN2B	59	55
NC(=O)NC(=O)OCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189244	FE	On-Demand	Anodyne	LTA4H	15	41
NC(=O)NC(=O)OCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189244	FE	On-Demand	Anodyne	HTR7	18	40
NC(=O)NC(=O)OCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189244	FE	On-Demand	Anodyne	HRH3	21	41
NC(=O)NC(=O)OCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189244	FE	On-Demand	Anodyne	PRCP	15	40
Brc1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)ccn1	ZINC000852189247	GI	On-Demand	Anodyne	DRD4	29	54
Brc1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)ccn1	ZINC000852189247	GI	On-Demand	Anodyne	GRIN2B	47	54
FC(F)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189252	DG	On-Demand	Anodyne	DRD4	15	48
FC(F)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189252	DG	On-Demand	Anodyne	SLC6A4	21	58
FC(F)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189252	DG	On-Demand	Anodyne	SLC6A3	48	58
FC(F)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189252	DG	On-Demand	Anodyne	GRIN2B	43	51
FC(F)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189252	DG	On-Demand	Anodyne	LTA4H	15	42
O=C(NC1CCN(Cc2cc3ccccc3c(Cl)n2)CC1)N1CCOCC1	ZINC000852189256	GF	On-Demand	Anodyne	DRD4	24	45
O=C(NC1CCN(Cc2cc3ccccc3c(Cl)n2)CC1)N1CCOCC1	ZINC000852189256	GF	On-Demand	Anodyne	KCNH2	15	41
O=C(NC1CCN(Cc2cc3ccccc3c(Cl)n2)CC1)N1CCOCC1	ZINC000852189256	GF	On-Demand	Anodyne	SIGMAR1	19	45
O=C(NC1CCN(Cc2cc3ccccc3c(Cl)n2)CC1)N1CCOCC1	ZINC000852189256	GF	On-Demand	Anodyne	CCR3	30	44
O=C(NC1CCN(Cc2cc3ccccc3c(Cl)n2)CC1)N1CCOCC1	ZINC000852189256	GF	On-Demand	Anodyne	PDK1	45	34
O=C(NC1CCN(Cc2cc3ccccc3c(Cl)n2)CC1)N1CCOCC1	ZINC000852189256	GF	On-Demand	Anodyne	MCHR1	41	44
O=C(NC1CCN(C[C@H](O)c2cccc3ccccc23)CC1)N1CCOCC1	ZINC000852189261	GE	On-Demand	Anodyne	DRD4	18	44
COc1ccc(OC)c([C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189274	GD	On-Demand	Anodyne	CCR3	17	40
COc1ccc(OC)c([C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189274	GD	On-Demand	Anodyne	PDK1	40	36
COc1ccc(OC)c([C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189274	GD	On-Demand	Anodyne	MCHR1	16	40
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NOCc1ccccc1	ZINC000852189285	GG	On-Demand	Anodyne	DRD4	21	40
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NOCc1ccccc1	ZINC000852189285	GG	On-Demand	Anodyne	GRIN2B	99	70
Fc1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cnc1Cl	ZINC000852189290	FI	On-Demand	Anodyne	DRD4	31	48
Fc1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cnc1Cl	ZINC000852189290	FI	On-Demand	Anodyne	ACHE	20	40
Fc1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cnc1Cl	ZINC000852189290	FI	On-Demand	Anodyne	GRIN2B	41	51
O=C(NC1CCN(C[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189293	ED	On-Demand	Anodyne	DRD4	17	40
O=C(NC1CCN(C[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189293	ED	On-Demand	Anodyne	SIGMAR1	19	43
O=C(NC1CCN(C[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189293	ED	On-Demand	Anodyne	CCR3	15	40
O=C(NC1CCN(C[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189293	ED	On-Demand	Anodyne	CTSS	24	42
O=C(NC1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189294	ED	On-Demand	Anodyne	DRD4	17	40
O=C(NC1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189294	ED	On-Demand	Anodyne	SIGMAR1	19	43
O=C(NC1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189294	ED	On-Demand	Anodyne	CCR3	15	40
O=C(NC1CCN(C[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189294	ED	On-Demand	Anodyne	CTSS	24	42
O=C1CC[C@H](N2CCC(Cc3nc4ccccc4[nH]3)CC2)C(=O)N1	ZINC000852189295	ED	On-Demand	Anodyne	GRIN2B	32	43
O=C1CC[C@@H](N2CCC(Cc3nc4ccccc4[nH]3)CC2)C(=O)N1	ZINC000852189296	ED	On-Demand	Anodyne	GRIN2B	32	43
C#CCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189305	CG	On-Demand	Mild	GRIN2B	41	53
O=C(NC1CCN(CC[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189306	ED	On-Demand	Anodyne	DRD4	19	40
O=C(NC1CCN(CC[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189306	ED	On-Demand	Anodyne	CASR	50	38
O=C(NC1CCN(CC[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189306	ED	On-Demand	Anodyne	TACR2	23	40
O=C(NC1CCN(CC[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189306	ED	On-Demand	Anodyne	SIGMAR1	23	46
O=C(NC1CCN(CC[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189306	ED	On-Demand	Anodyne	CCR5	52	42
O=C(NC1CCN(CC[C@@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189306	ED	On-Demand	Anodyne	CTSS	24	41
O=C(NC1CCN(CC[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189307	ED	On-Demand	Anodyne	DRD4	19	40
O=C(NC1CCN(CC[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189307	ED	On-Demand	Anodyne	CASR	50	38
O=C(NC1CCN(CC[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189307	ED	On-Demand	Anodyne	TACR2	23	40
O=C(NC1CCN(CC[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189307	ED	On-Demand	Anodyne	SIGMAR1	23	46
O=C(NC1CCN(CC[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189307	ED	On-Demand	Anodyne	CCR5	52	42
O=C(NC1CCN(CC[C@H](O)c2ccccc2)CC1)N1CCOCC1	ZINC000852189307	ED	On-Demand	Anodyne	CTSS	24	41
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	CHRM2	24	43
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	CHRM1	17	43
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	DRD4	45	50
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	ACHE	28	47
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	CHRM3	27	43
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	SIGMAR1	47	52
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	CCR3	44	48
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	SLC18A3	25	41
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	MTOR	15	41
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	SLC6A5	17	42
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	EPHX2	21	44
O=C(NC1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189315	FD	On-Demand	Anodyne	MCHR1	35	50
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	CHRM2	24	43
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	CHRM1	17	43
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	DRD4	45	50
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	ACHE	28	47
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	CHRM3	27	43
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	SIGMAR1	47	52
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	CCR3	44	48
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	SLC18A3	25	41
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	MTOR	15	41
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	SLC6A5	17	42
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	EPHX2	21	44
O=C(NC1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1)N1CCOCC1	ZINC000852189316	FD	On-Demand	Anodyne	MCHR1	35	50
c1ccc(-n2nncc2CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189324	FH	On-Demand	Anodyne	DRD4	15	53
c1ccc(-n2nncc2CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189324	FH	On-Demand	Anodyne	GRIN2B	39	52
ICCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189327	GH	On-Demand	Reactive	DRD4	15	49
ICCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189327	GH	On-Demand	Reactive	HTR4	27	40
ICCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189327	GH	On-Demand	Reactive	GRIN2B	52	56
O=C(NC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000852189362	GD	On-Demand	Bother	KCNJ1	23	40
O=C(NC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000852189363	GD	On-Demand	Bother	KCNJ1	23	40
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189368	GH	On-Demand	Mild	GRIN2B	37	50
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189368	GH	On-Demand	Mild	PIN1	20	46
c1ccc2[nH]c(CC3CCN(CCC4OCCO4)CC3)nc2c1	ZINC000852189370	DF	On-Demand	Anodyne	DRD4	17	49
c1ccc2[nH]c(CC3CCN(CCC4OCCO4)CC3)nc2c1	ZINC000852189370	DF	On-Demand	Anodyne	GRIN2B	57	52
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)N1CCOCC1	ZINC000852189376	GD	On-Demand	Bother	SIGMAR1	16	49
NC(=O)[C@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852189378	GB	On-Demand	Anodyne	CHRM1	22	41
NC(=O)[C@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852189378	GB	On-Demand	Anodyne	CHRM3	29	42
NC(=O)[C@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852189378	GB	On-Demand	Anodyne	SIGMAR1	15	40
NC(=O)[C@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852189378	GB	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852189379	GB	On-Demand	Anodyne	CHRM1	22	41
NC(=O)[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852189379	GB	On-Demand	Anodyne	CHRM3	29	42
NC(=O)[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852189379	GB	On-Demand	Anodyne	SIGMAR1	15	40
NC(=O)[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852189379	GB	On-Demand	Anodyne	CYP2J2	46	32
O=C(NC1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1)N1CCOCC1	ZINC000852189389	GC	On-Demand	Anodyne	SIGMAR1	15	40
O=C(NC1CCN(Cc2cncc(C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189392	FE	On-Demand	Anodyne	SIGMAR1	17	48
O=C(NC1CCN(Cc2cncc(C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189392	FE	On-Demand	Anodyne	SSTR5	47	42
O=C(NC1CCN(Cc2cncc(C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189392	FE	On-Demand	Anodyne	CCR3	15	41
O=C(NC1CCN(Cc2cncc(C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189392	FE	On-Demand	Anodyne	SLC6A5	29	43
O=C(NC1CCN(Cc2cncc(C(F)(F)F)c2)CC1)N1CCOCC1	ZINC000852189392	FE	On-Demand	Anodyne	MCHR1	46	52
O=C(NC1CCN(C[C@H](O)c2ccc(F)cc2Cl)CC1)N1CCOCC1	ZINC000852189404	GE	On-Demand	Anodyne	CCR3	36	44
O=C(NC1CCN(C[C@@H](O)c2ccc(F)cc2Cl)CC1)N1CCOCC1	ZINC000852189405	GE	On-Demand	Anodyne	CCR3	36	44
O=C(NC1CCN(C[C@H](O)c2ccc3ccccc3c2)CC1)N1CCOCC1	ZINC000852189411	GE	On-Demand	Anodyne	DRD4	15	44
O=C(NC1CCN(C[C@H](O)c2ccc3ccccc3c2)CC1)N1CCOCC1	ZINC000852189411	GE	On-Demand	Anodyne	CCR3	31	43
O=C(NC1CCN(C[C@H](O)c2ccc3ccccc3c2)CC1)N1CCOCC1	ZINC000852189411	GE	On-Demand	Anodyne	EPHX2	15	44
O=C(NC1CCN(C[C@H](O)c2ccc3ccccc3c2)CC1)N1CCOCC1	ZINC000852189411	GE	On-Demand	Anodyne	MCHR1	16	43
O=C(NC1CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1)N1CCOCC1	ZINC000852189412	GE	On-Demand	Anodyne	DRD4	15	44
O=C(NC1CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1)N1CCOCC1	ZINC000852189412	GE	On-Demand	Anodyne	CCR3	31	43
O=C(NC1CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1)N1CCOCC1	ZINC000852189412	GE	On-Demand	Anodyne	EPHX2	15	44
O=C(NC1CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1)N1CCOCC1	ZINC000852189412	GE	On-Demand	Anodyne	MCHR1	16	43
O=C1O[C@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CC12CCC2	ZINC000852189413	FG	On-Demand	Anodyne	GRIN2B	18	41
O=C1O[C@@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CC12CCC2	ZINC000852189414	FG	On-Demand	Anodyne	GRIN2B	18	41
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)cn2)CCN1C	ZINC000852189419	CD	On-Demand	Reactive	F10	36	41
O=C1CC[C@@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)O1	ZINC000852189423	DF	On-Demand	Anodyne	GRIN2B	31	48
O=C1CC[C@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)O1	ZINC000852189424	DF	On-Demand	Anodyne	GRIN2B	31	48
O=C(NC1CCN(Cc2cccc(Br)n2)CC1)N1CCOCC1	ZINC000852189427	GD	On-Demand	Anodyne	DRD4	15	44
O=C(NC1CCN(Cc2cccc(Br)n2)CC1)N1CCOCC1	ZINC000852189427	GD	On-Demand	Anodyne	SIGMAR1	15	41
O=C(NC1CCN(Cc2cccc(Br)n2)CC1)N1CCOCC1	ZINC000852189427	GD	On-Demand	Anodyne	CCR3	16	41
O=C(NC1CCN(Cc2cccc(Br)n2)CC1)N1CCOCC1	ZINC000852189427	GD	On-Demand	Anodyne	MCHR1	28	43
O=C(NC1CCN(Cc2ccc3c(c2)COC3)CC1)N1CCOCC1	ZINC000852189436	ED	On-Demand	Anodyne	DRD4	24	41
O=C(NC1CCN(Cc2ccc3c(c2)COC3)CC1)N1CCOCC1	ZINC000852189436	ED	On-Demand	Anodyne	KCNH2	17	43
O=C(NC1CCN(Cc2ccc3c(c2)COC3)CC1)N1CCOCC1	ZINC000852189436	ED	On-Demand	Anodyne	SIGMAR1	22	49
O=C(NC1CCN(Cc2ccc3c(c2)COC3)CC1)N1CCOCC1	ZINC000852189436	ED	On-Demand	Anodyne	SSTR5	65	37
O=C(NC1CCN(Cc2ccc3c(c2)COC3)CC1)N1CCOCC1	ZINC000852189436	ED	On-Demand	Anodyne	CCR3	35	48
O=C(NC1CCN(Cc2ccc3c(c2)COC3)CC1)N1CCOCC1	ZINC000852189436	ED	On-Demand	Anodyne	PDK1	32	40
O=C(NC1CCN(Cc2ccc3c(c2)COC3)CC1)N1CCOCC1	ZINC000852189436	ED	On-Demand	Anodyne	MCHR1	52	47
c1ccc2[nH]c(CC3CCN(Cc4ccc5nonc5c4)CC3)nc2c1	ZINC000852189440	EH	On-Demand	Anodyne	DRD4	23	47
c1ccc2[nH]c(CC3CCN(Cc4ccc5nonc5c4)CC3)nc2c1	ZINC000852189440	EH	On-Demand	Anodyne	GRIN2B	47	56
c1ccc2[nH]c(CC3CCN(Cc4ccc5nonc5c4)CC3)nc2c1	ZINC000852189440	EH	On-Demand	Anodyne	SSTR5	44	38
C[C@H](CS(C)(=O)=O)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852189441	FD	On-Demand	Anodyne	ADRB3	16	42
C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852189442	FD	On-Demand	Anodyne	ADRB3	16	42
C[C@@H](ON=Cc1ccccc1C(F)(F)F)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852189448	GI	On-Demand	Mild	TPP2	52	32
BrC1(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CC1	ZINC000852189450	EH	On-Demand	Anodyne	GRIN2B	39	53
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	CHRM2	15	49
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	DRD4	32	50
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	ACHE	25	46
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	KCNH2	17	45
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	CHRM3	25	49
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	SIGMAR1	29	49
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	SSTR5	61	39
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	CCR3	39	50
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	CCR2	17	45
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	EPHX2	15	40
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	MCHR1	53	47
Nc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189463	DD	On-Demand	Anodyne	CCR8	15	42
O=C(NC1CCN(Cc2nc(Cl)ccc2Cl)CC1)N1CCOCC1	ZINC000852189466	FE	On-Demand	Anodyne	SIGMAR1	15	46
O=C(NC1CCN(Cc2nc(Cl)ccc2Cl)CC1)N1CCOCC1	ZINC000852189466	FE	On-Demand	Anodyne	CCR3	16	41
O=C(NC1CCN(Cc2nc(Cl)ccc2Cl)CC1)N1CCOCC1	ZINC000852189466	FE	On-Demand	Anodyne	PDK1	46	33
O=C(NC1CCN(Cc2nc(Cl)ccc2Cl)CC1)N1CCOCC1	ZINC000852189466	FE	On-Demand	Anodyne	MCHR1	25	42
O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852189467	GG	On-Demand	Bother	GRIN2B	34	46
O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852189468	GG	On-Demand	Bother	GRIN2B	34	46
O=C(NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1	ZINC000852189477	GE	On-Demand	Bother	DRD4	24	41
O=C(NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1	ZINC000852189477	GE	On-Demand	Bother	SIGMAR1	22	51
O=C(NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1	ZINC000852189477	GE	On-Demand	Bother	SSTR5	44	39
O=C(NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1	ZINC000852189477	GE	On-Demand	Bother	CCR3	38	46
O=C(NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1	ZINC000852189477	GE	On-Demand	Bother	UTS2R	19	41
O=C(NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1	ZINC000852189477	GE	On-Demand	Bother	CCR2	16	41
O=C(NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1	ZINC000852189477	GE	On-Demand	Bother	MCHR1	46	54
NC(=O)[C@@](O)(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189485	GE	On-Demand	Anodyne	GRIN2B	66	57
NC(=O)[C@@](O)(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189485	GE	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@](O)(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189486	GE	On-Demand	Anodyne	GRIN2B	66	57
NC(=O)[C@](O)(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189486	GE	On-Demand	Anodyne	CYP2J2	45	31
O=C(Cc1ccccc1)OCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189487	GD	On-Demand	Anodyne	CHRM1	17	42
O=C(Cc1ccccc1)OCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189487	GD	On-Demand	Anodyne	DRD4	21	43
O=C(Cc1ccccc1)OCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189487	GD	On-Demand	Anodyne	LTA4H	27	51
O=C(Cc1ccccc1)OCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189487	GD	On-Demand	Anodyne	SIGMAR1	38	55
O=C(Cc1ccccc1)OCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189487	GD	On-Demand	Anodyne	CCR3	25	41
O=C(Cc1ccccc1)OCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189487	GD	On-Demand	Anodyne	EPHX2	31	46
O=C(Cc1ccccc1)OCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189487	GD	On-Demand	Anodyne	MCHR1	23	42
N#C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189490	ED	On-Demand	Mild	PTAFR	37	46
N#C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189490	ED	On-Demand	Mild	CTSS	28	48
N#C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189491	ED	On-Demand	Mild	PTAFR	37	46
N#C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189491	ED	On-Demand	Mild	CTSS	28	48
O=C1O[C@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CC12CC2	ZINC000852189492	EF	On-Demand	Anodyne	GRIN2B	24	42
O=C1O[C@@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CC12CC2	ZINC000852189493	EF	On-Demand	Anodyne	GRIN2B	24	42
O=[N+]([O-])c1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1	ZINC000852189497	GH	On-Demand	Bother	GRIN2B	27	48
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	CA2	69	52
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	CA1	65	52
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	CA7	45	45
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	CA4	42	51
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	CA14	49	36
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	TGM2	22	41
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	CA12	55	52
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	CA9	58	49
NS(=O)(=O)c1ccc(CCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189511	GC	On-Demand	Anodyne	MCHR1	19	40
CCn1nc(C)c(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1	ZINC000852189523	EF	On-Demand	Anodyne	DRD4	15	47
CCn1nc(C)c(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1	ZINC000852189523	EF	On-Demand	Anodyne	GRIN2B	23	48
O=C(NC1CCN(C[C@H](O)c2ccccc2Cl)CC1)N1CCOCC1	ZINC000852189534	FD	On-Demand	Anodyne	SIGMAR1	17	42
O=C(NC1CCN(C[C@H](O)c2ccccc2Cl)CC1)N1CCOCC1	ZINC000852189534	FD	On-Demand	Anodyne	CCR3	19	41
O=C(NC1CCN(C[C@H](O)c2ccccc2Cl)CC1)N1CCOCC1	ZINC000852189534	FD	On-Demand	Anodyne	EPHX2	18	40
COC(=O)C1=C(C)O[C@@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000852189537	FG	On-Demand	Anodyne	GRIN2B	36	49
CCOP(=O)(OCC)[C@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189549	GG	On-Demand	Anodyne	HTR4	35	41
CCOP(=O)(OCC)[C@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189549	GG	On-Demand	Anodyne	GRIN2B	36	49
CCOP(=O)(OCC)[C@@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189550	GG	On-Demand	Anodyne	HTR4	35	41
CCOP(=O)(OCC)[C@@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189550	GG	On-Demand	Anodyne	GRIN2B	36	49
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)nc1	ZINC000852189551	GH	On-Demand	Anodyne	DRD4	19	40
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)nc1	ZINC000852189551	GH	On-Demand	Anodyne	GRIN2B	46	49
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)nc1	ZINC000852189551	GH	On-Demand	Anodyne	PRCP	21	41
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)nc1	ZINC000852189551	GH	On-Demand	Anodyne	NR2E3	60	33
Brc1cccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1	ZINC000852189552	GI	On-Demand	Anodyne	GRIN2B	33	51
O=C(NC1CCN(Cc2ccc(Cl)nc2)CC1)N1CCOCC1	ZINC000852189553	ED	On-Demand	Anodyne	DRD4	25	42
O=C(NC1CCN(Cc2ccc(Cl)nc2)CC1)N1CCOCC1	ZINC000852189553	ED	On-Demand	Anodyne	SIGMAR1	24	48
O=C(NC1CCN(Cc2ccc(Cl)nc2)CC1)N1CCOCC1	ZINC000852189553	ED	On-Demand	Anodyne	SSTR5	63	44
O=C(NC1CCN(Cc2ccc(Cl)nc2)CC1)N1CCOCC1	ZINC000852189553	ED	On-Demand	Anodyne	CCR3	33	45
O=C(NC1CCN(Cc2ccc(Cl)nc2)CC1)N1CCOCC1	ZINC000852189553	ED	On-Demand	Anodyne	MCHR1	50	45
O=C(NC1CCN(Cc2ccc(Cl)nc2)CC1)N1CCOCC1	ZINC000852189553	ED	On-Demand	Anodyne	NACHRBETA2	43	36
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)NOCc1ccccc1	ZINC000852189557	GC	On-Demand	Anodyne	DRD4	26	43
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)NOCc1ccccc1	ZINC000852189557	GC	On-Demand	Anodyne	SIGMAR1	22	46
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)NOCc1ccccc1	ZINC000852189557	GC	On-Demand	Anodyne	CCR3	15	41
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)NOCc1ccccc1	ZINC000852189557	GC	On-Demand	Anodyne	MCHR1	19	40
O=C(NC1CCN(Cc2cccnc2Cl)CC1)N1CCOCC1	ZINC000852189573	ED	On-Demand	Anodyne	DRD4	23	46
O=C(NC1CCN(Cc2cccnc2Cl)CC1)N1CCOCC1	ZINC000852189573	ED	On-Demand	Anodyne	SIGMAR1	19	45
O=C(NC1CCN(Cc2cccnc2Cl)CC1)N1CCOCC1	ZINC000852189573	ED	On-Demand	Anodyne	SSTR5	43	34
O=C(NC1CCN(Cc2cccnc2Cl)CC1)N1CCOCC1	ZINC000852189573	ED	On-Demand	Anodyne	CCR3	17	40
O=C(NC1CCN(Cc2cccnc2Cl)CC1)N1CCOCC1	ZINC000852189573	ED	On-Demand	Anodyne	MCHR1	33	42
c1ccc2[nH]c(CC3CCN(CC4OCCO4)CC3)nc2c1	ZINC000852189574	DE	On-Demand	Anodyne	DRD4	15	50
c1ccc2[nH]c(CC3CCN(CC4OCCO4)CC3)nc2c1	ZINC000852189574	DE	On-Demand	Anodyne	GRIN2B	51	53
O=C(NC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1)N1CCOCC1	ZINC000852189575	FD	On-Demand	Anodyne	SSTR5	50	45
O=C(NC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1)N1CCOCC1	ZINC000852189575	FD	On-Demand	Anodyne	NOS2	91	35
O=C(NC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1)N1CCOCC1	ZINC000852189575	FD	On-Demand	Anodyne	MCHR1	34	41
O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189576	GG	On-Demand	Bother	GRIN2B	34	48
O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189577	GG	On-Demand	Bother	GRIN2B	34	48
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	DRD4	29	48
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	ACHE	19	44
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	KCNH2	17	43
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	LTA4H	28	45
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	HRH3	24	44
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	SIGMAR1	36	54
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	SSTR5	71	39
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	CCR3	40	48
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	UTS2R	18	41
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	FAAH	19	42
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	SLC6A5	31	41
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	EPHX2	28	40
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	PDK1	51	39
CC(=O)Oc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852189583	FD	On-Demand	Anodyne	MCHR1	61	48
O=C(CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)N1CCCC1	ZINC000852189586	EF	On-Demand	Anodyne	GRIN2B	67	57
O=C(CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)N1CCCC1	ZINC000852189586	EF	On-Demand	Anodyne	HTR7	15	41
O=C(CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)N1CCCC1	ZINC000852189586	EF	On-Demand	Anodyne	PRCP	40	43
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCOCC1	ZINC000852189596	FD	On-Demand	Bother	DRD4	18	40
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCOCC1	ZINC000852189596	FD	On-Demand	Bother	KCNH2	16	41
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCOCC1	ZINC000852189596	FD	On-Demand	Bother	SIGMAR1	20	48
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCOCC1	ZINC000852189596	FD	On-Demand	Bother	SSTR5	43	36
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCOCC1	ZINC000852189596	FD	On-Demand	Bother	CCR3	39	48
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCOCC1	ZINC000852189596	FD	On-Demand	Bother	MCHR1	47	45
O=C(NC1CCN(Cc2ccc3nonc3c2)CC1)N1CCOCC1	ZINC000852189611	ED	On-Demand	Anodyne	DRD4	20	42
O=C(NC1CCN(Cc2ccc3nonc3c2)CC1)N1CCOCC1	ZINC000852189611	ED	On-Demand	Anodyne	KCNH2	18	43
O=C(NC1CCN(Cc2ccc3nonc3c2)CC1)N1CCOCC1	ZINC000852189611	ED	On-Demand	Anodyne	SIGMAR1	19	47
O=C(NC1CCN(Cc2ccc3nonc3c2)CC1)N1CCOCC1	ZINC000852189611	ED	On-Demand	Anodyne	SSTR5	83	39
O=C(NC1CCN(Cc2ccc3nonc3c2)CC1)N1CCOCC1	ZINC000852189611	ED	On-Demand	Anodyne	CCR3	37	46
O=C(NC1CCN(Cc2ccc3nonc3c2)CC1)N1CCOCC1	ZINC000852189611	ED	On-Demand	Anodyne	PDK1	34	43
O=C(NC1CCN(Cc2ccc3nonc3c2)CC1)N1CCOCC1	ZINC000852189611	ED	On-Demand	Anodyne	MCHR1	51	44
Fc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)nc1	ZINC000852189612	DH	On-Demand	Anodyne	DRD4	16	53
Fc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)nc1	ZINC000852189612	DH	On-Demand	Anodyne	GRIN2B	33	49
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cn1	ZINC000852189619	FG	On-Demand	Anodyne	GRIN2B	26	45
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cn1	ZINC000852189620	FG	On-Demand	Anodyne	GRIN2B	26	45
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	DRD4	29	49
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	ACHE	26	45
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	HRH2	63	52
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	KCNH2	16	45
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	CHRM3	20	45
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	LTA4H	18	41
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	HRH3	19	46
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	SIGMAR1	35	51
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	SSTR5	83	40
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	CCR3	41	47
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	UTS2R	15	41
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	FAAH	40	42
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	EPHX2	33	46
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	MCHR1	52	49
CCCOc1cccc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000852189621	FE	On-Demand	Anodyne	CCR8	26	49
O[C@@H](CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189629	EH	On-Demand	Anodyne	DRD4	16	45
O[C@@H](CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189629	EH	On-Demand	Anodyne	SLC6A3	22	53
O[C@@H](CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189629	EH	On-Demand	Anodyne	GRIN2B	70	55
O[C@H](CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189630	EH	On-Demand	Anodyne	DRD4	16	45
O[C@H](CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189630	EH	On-Demand	Anodyne	SLC6A3	22	53
O[C@H](CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189630	EH	On-Demand	Anodyne	GRIN2B	70	55
O=C(NC1CCN(Cc2cnnn2-c2ccccc2)CC1)N1CCOCC1	ZINC000852189636	FD	On-Demand	Anodyne	DRD4	16	40
O=C(NC1CCN(Cc2cnnn2-c2ccccc2)CC1)N1CCOCC1	ZINC000852189636	FD	On-Demand	Anodyne	SIGMAR1	19	43
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	DRD2	15	43
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	DRD4	47	47
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	ACHE	47	44
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	GRIN2B	72	55
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	LTA4H	37	44
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	HRH3	20	42
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	SIGMAR1	49	44
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	SSTR5	43	36
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	CHEK2	36	43
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	CCR3	66	41
CC(=O)Oc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852189650	FH	On-Demand	Anodyne	MCHR1	37	40
Cc1cc(O)nc(CN2CCC(NC(=O)N3CCOCC3)CC2)n1	ZINC000852189662	EC	On-Demand	Anodyne	PDK1	46	33
c1ccc2[nH]c(CC3CCN(Cc4ccc(-n5ccnc5)nc4)CC3)nc2c1	ZINC000852189678	FH	On-Demand	Anodyne	GRIN2B	18	46
O=C(NC1CCN(Cc2ccnc(Br)c2)CC1)N1CCOCC1	ZINC000852189679	GD	On-Demand	Anodyne	DRD4	18	41
O=C(NC1CCN(Cc2ccnc(Br)c2)CC1)N1CCOCC1	ZINC000852189679	GD	On-Demand	Anodyne	SIGMAR1	18	44
O=C(NC1CCN(Cc2ccnc(Br)c2)CC1)N1CCOCC1	ZINC000852189679	GD	On-Demand	Anodyne	SSTR5	74	39
O=C(NC1CCN(Cc2ccnc(Br)c2)CC1)N1CCOCC1	ZINC000852189679	GD	On-Demand	Anodyne	CCR3	33	44
O=C(NC1CCN(Cc2ccnc(Br)c2)CC1)N1CCOCC1	ZINC000852189679	GD	On-Demand	Anodyne	MCHR1	49	42
CCC(=O)NNC(=O)[C@@H](C)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189680	FD	On-Demand	Reactive	GRIN2B	62	56
CCC(=O)NNC(=O)[C@H](C)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189681	FD	On-Demand	Reactive	GRIN2B	62	56
O=C(NC1CCN(Cc2ccc(Cl)nc2Cl)CC1)N1CCOCC1	ZINC000852189683	FE	On-Demand	Anodyne	SIGMAR1	16	43
O=C(NC1CCN(Cc2ccc(Cl)nc2Cl)CC1)N1CCOCC1	ZINC000852189683	FE	On-Demand	Anodyne	MCHR1	28	40
O=C(NC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1)N1CCOCC1	ZINC000852189684	GD	On-Demand	Anodyne	SIGMAR1	18	48
O=C(NC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1)N1CCOCC1	ZINC000852189685	GD	On-Demand	Anodyne	SIGMAR1	18	48
O=C(NC1CCN(Cc2cn[nH]c2)CC1)N1CCOCC1	ZINC000852189689	CC	On-Demand	Anodyne	SIGMAR1	18	42
O=C(NC1CCN(Cc2cn[nH]c2)CC1)N1CCOCC1	ZINC000852189689	CC	On-Demand	Anodyne	SSTR5	51	37
O=C(NC1CCN(Cc2cn[nH]c2)CC1)N1CCOCC1	ZINC000852189689	CC	On-Demand	Anodyne	MCHR1	35	42
CN(C)c1ncnc(Cl)c1CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189698	GH	On-Demand	Anodyne	GRIN2B	17	45
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCOC(F)F)[C@@H]2C1	ZINC000852189755	DE	On-Demand	Anodyne	GPR119	24	40
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccc(Br)cc1	ZINC000852189775	GF	On-Demand	Anodyne	SLC6A4	36	49
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccc(Br)cc1	ZINC000852189775	GF	On-Demand	Anodyne	SLC6A3	69	49
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3nnc(C(F)(F)F)s3)[C@@H]2C1	ZINC000852189794	GF	On-Demand	Anodyne	GPR119	24	40
C[C@H]1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CCN1C	ZINC000852189825	GG	On-Demand	Anodyne	CCKAR	18	44
C[C@H]1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CCN1C	ZINC000852189825	GG	On-Demand	Anodyne	CCKBR	19	44
CON(C)C(=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189827	EE	On-Demand	Anodyne	GRIN2B	60	53
CON(C)C(=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189827	EE	On-Demand	Anodyne	PRCP	34	40
Cc1oncc1CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189828	DG	On-Demand	Anodyne	DRD4	16	48
Cc1oncc1CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852189828	DG	On-Demand	Anodyne	GRIN2B	30	49
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189835	EH	On-Demand	Anodyne	DRD4	15	46
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189835	EH	On-Demand	Anodyne	SLC6A3	19	50
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189835	EH	On-Demand	Anodyne	GRIN2B	60	57
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189835	EH	On-Demand	Anodyne	GRIN2C	23	46
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189836	EH	On-Demand	Anodyne	DRD4	15	46
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189836	EH	On-Demand	Anodyne	SLC6A3	19	50
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189836	EH	On-Demand	Anodyne	GRIN2B	60	57
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852189836	EH	On-Demand	Anodyne	GRIN2C	23	46
Cc1cc(O)nc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1	ZINC000852189840	EF	On-Demand	Anodyne	DRD4	15	51
Cc1cc(O)nc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1	ZINC000852189840	EF	On-Demand	Anodyne	GRIN2B	51	55
O=C(NC1CCN(Cc2cnc(Cl)c(F)c2)CC1)N1CCOCC1	ZINC000852189846	FD	On-Demand	Anodyne	SIGMAR1	20	45
O=C(NC1CCN(Cc2cnc(Cl)c(F)c2)CC1)N1CCOCC1	ZINC000852189846	FD	On-Demand	Anodyne	SSTR5	53	39
O=C(NC1CCN(Cc2cnc(Cl)c(F)c2)CC1)N1CCOCC1	ZINC000852189846	FD	On-Demand	Anodyne	CCR3	29	45
O=C(NC1CCN(Cc2cnc(Cl)c(F)c2)CC1)N1CCOCC1	ZINC000852189846	FD	On-Demand	Anodyne	MCHR1	50	42
O=C(NC1CCN(Cc2ccc(CF)cc2)CC1)N1CCOCC1	ZINC000852189847	EE	On-Demand	Anodyne	DRD4	26	46
O=C(NC1CCN(Cc2ccc(CF)cc2)CC1)N1CCOCC1	ZINC000852189847	EE	On-Demand	Anodyne	KCNH2	16	41
O=C(NC1CCN(Cc2ccc(CF)cc2)CC1)N1CCOCC1	ZINC000852189847	EE	On-Demand	Anodyne	CHRM3	19	40
O=C(NC1CCN(Cc2ccc(CF)cc2)CC1)N1CCOCC1	ZINC000852189847	EE	On-Demand	Anodyne	SIGMAR1	34	49
O=C(NC1CCN(Cc2ccc(CF)cc2)CC1)N1CCOCC1	ZINC000852189847	EE	On-Demand	Anodyne	SSTR5	65	37
O=C(NC1CCN(Cc2ccc(CF)cc2)CC1)N1CCOCC1	ZINC000852189847	EE	On-Demand	Anodyne	CCR3	35	51
O=C(NC1CCN(Cc2ccc(CF)cc2)CC1)N1CCOCC1	ZINC000852189847	EE	On-Demand	Anodyne	EPHX2	18	41
O=C(NC1CCN(Cc2ccc(CF)cc2)CC1)N1CCOCC1	ZINC000852189847	EE	On-Demand	Anodyne	MCHR1	54	47
O=[N+]([O-])c1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1F	ZINC000852189850	FI	On-Demand	Bother	DRD4	20	52
O=[N+]([O-])c1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1F	ZINC000852189850	FI	On-Demand	Bother	GRIN2B	38	48
CO[C@@H]1CC[C@@H](N2CCC(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000852189862	DG	On-Demand	Anodyne	GRIN2B	29	41
Fc1cccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1	ZINC000852189876	DH	On-Demand	Anodyne	GRIN2B	38	51
O=C(NC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1	ZINC000852189886	GD	On-Demand	Anodyne	DRD4	20	44
O=C(NC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1	ZINC000852189886	GD	On-Demand	Anodyne	CNR2	15	44
O=C(NC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1	ZINC000852189886	GD	On-Demand	Anodyne	SIGMAR1	35	51
O=C(NC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1	ZINC000852189886	GD	On-Demand	Anodyne	CCR3	23	43
O=C(NC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1	ZINC000852189886	GD	On-Demand	Anodyne	CYP2J2	42	30
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	DRD2	25	45
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	DRD4	19	43
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	ADRA1D	20	40
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	ADRA1A	28	40
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	ADRA1B	23	40
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	DRD3	35	45
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	HTR4	50	35
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	GRIN2B	55	50
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	HTR7	23	40
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	CCR3	34	48
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	PLD1	59	37
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	CCR2	16	40
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	PLD2	56	37
O=C(NCCCN1CCC(Cc2nc3ccccc3[nH]2)CC1)C(F)(F)F	ZINC000852189893	FF	On-Demand	Anodyne	MCHR1	17	44
CCCCCCCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189894	EF	On-Demand	Mild	HTR4	31	43
CCCCCCCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189894	EF	On-Demand	Mild	PAOX	17	40
CCCCCCCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852189894	EF	On-Demand	Mild	LASR	46	34
O=C(NC1CCN(CCN2CCc3ccccc32)CC1)N1CCOCC1	ZINC000852189897	FD	On-Demand	Anodyne	SIGMAR1	16	43
O=C(NC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1)N1CCOCC1	ZINC000852189901	GE	On-Demand	Anodyne	MAPK1	43	40
O=C(NC1CCN(C[C@@H](O)c2ccc(Cl)c(F)c2)CC1)N1CCOCC1	ZINC000852189903	GE	On-Demand	Anodyne	MAPK1	43	40
O=S1(=O)CCC(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CC1	ZINC000852189905	FF	On-Demand	Anodyne	GRIN2B	42	51
Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)nc(C)n1	ZINC000852189908	EG	On-Demand	Anodyne	SSTR3	23	40
CC[C@@H](CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)CC(F)F	ZINC000852189916	EI	On-Demand	Anodyne	POLG_HCV1	23	42
O=S1(=O)N=C(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c2ccccc21	ZINC000852189920	GG	On-Demand	Anodyne	GRIN2B	26	48
O=C(NC1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852189923	FD	On-Demand	Anodyne	SIGMAR1	15	41
O=C(NC1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852189925	FD	On-Demand	Anodyne	SIGMAR1	15	41
COc1cccc(OC)c1CNC(=O)NC1CCC(C)(O)CC1	ZINC000852189930	DE	On-Demand	Anodyne	KCNA3	46	45
CNS(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1	ZINC000852189939	GF	On-Demand	Anodyne	SSTR3	30	44
c1ccc2[nH]c(CC3CCN(Cc4cnon4)CC3)nc2c1	ZINC000852189940	CE	On-Demand	Anodyne	GRIN2B	32	50
Cc1nc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)co1	ZINC000852189963	DE	On-Demand	Anodyne	GPR119	37	42
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC3CC=CC3)[C@@H]2C1	ZINC000852189964	CF	On-Demand	Anodyne	GPR119	32	42
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(C)(O)CC3)C2)cc1	ZINC000852189970	EE	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(C)(O)CC3)C2)cc1	ZINC000852189970	EE	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(C)(O)CC3)C2)cc1	ZINC000852189970	EE	On-Demand	Clean	EPHX2	35	46
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1c1ccc(Br)cc1	ZINC000852189973	GE	On-Demand	Anodyne	SLC6A4	29	45
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1c1ccc(Br)cc1	ZINC000852189973	GE	On-Demand	Anodyne	SLC6A3	51	45
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1c1ccc(Br)cc1	ZINC000852189974	GE	On-Demand	Anodyne	SLC6A4	29	45
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1c1ccc(Br)cc1	ZINC000852189974	GE	On-Demand	Anodyne	SLC6A3	51	45
Cn1cnc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c1	ZINC000852189983	DD	On-Demand	Anodyne	GPR119	43	47
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3coc(S(N)(=O)=O)c3)[C@@H]2C1	ZINC000852189991	FD	On-Demand	Anodyne	GPR119	43	39
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H](O)c3ccccn3)[C@@H]2C1	ZINC000852189992	EE	On-Demand	Anodyne	GPR119	50	55
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H](O)c3ccccn3)[C@@H]2C1	ZINC000852189993	EE	On-Demand	Anodyne	GPR119	50	55
C#CCOCCN1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1	ZINC000852190001	FE	On-Demand	Mild	SLC6A4	24	43
C#CCOCCN1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1	ZINC000852190001	FE	On-Demand	Mild	SLC6A3	39	43
CC[C@](C)(C(=O)OC)N(CC1CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852190009	ED	On-Demand	Anodyne	AMY2	64	38
CC[C@@](C)(C(=O)OC)N(CC1CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852190010	ED	On-Demand	Anodyne	AMY2	64	38
CC[C@@](C)(C(=O)OC)N(CC1CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852190011	ED	On-Demand	Anodyne	AMY2	64	38
CC[C@](C)(C(=O)OC)N(CC1CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852190012	ED	On-Demand	Anodyne	AMY2	64	38
O=C(NC1CCN(Cc2csc(Cl)n2)CC1)N1CCOCC1	ZINC000852190019	ED	On-Demand	Anodyne	MCHR1	26	44
c1ccc2[nH]c(CC3CCN(CC4CCC5(CC4)OCCO5)CC3)nc2c1	ZINC000852190028	FH	On-Demand	Anodyne	GRIN2B	24	46
O=C(NC1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1)N1CCOCC1	ZINC000852190029	FF	On-Demand	Anodyne	EPHX2	16	43
O=C(NC1CCN([C@H]2CCc3cc(Cl)ccc32)CC1)N1CCOCC1	ZINC000852190030	FF	On-Demand	Anodyne	EPHX2	16	43
FC1(F)CC(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000852190031	DH	On-Demand	Anodyne	GRIN2B	36	49
O=C(NC1CCN(Cc2c(F)c(F)c(F)c(F)c2F)CC1)N1CCOCC1	ZINC000852190043	GE	On-Demand	Anodyne	MCHR1	18	41
CN(C)c1ncc(CNC(=O)NNc2ccc(Cl)cn2)n1C	ZINC000852190049	DD	On-Demand	Reactive	F10	36	40
O=S(=O)(CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)Cc1ccccc1	ZINC000852190051	GG	On-Demand	Anodyne	DRD4	20	44
O=S(=O)(CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)Cc1ccccc1	ZINC000852190051	GG	On-Demand	Anodyne	GRIN2B	68	57
O=S(=O)(CCN1CCC(Cc2nc3ccccc3[nH]2)CC1)Cc1ccccc1	ZINC000852190051	GG	On-Demand	Anodyne	SIGMAR1	22	43
C[S@@](=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190053	DE	On-Demand	Anodyne	DRD4	15	47
C[S@@](=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190053	DE	On-Demand	Anodyne	GRIN2B	57	55
c1ccc2[nH]c(CC3CCN(Cc4cnsn4)CC3)nc2c1	ZINC000852190063	DF	On-Demand	Anodyne	DRD4	15	49
c1ccc2[nH]c(CC3CCN(Cc4cnsn4)CC3)nc2c1	ZINC000852190063	DF	On-Demand	Anodyne	GRIN2B	45	53
C#CCOCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190069	CE	On-Demand	Mild	GRIN2B	37	49
C#CCOCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190069	CE	On-Demand	Mild	LTA4H	16	43
C#CCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190071	CF	On-Demand	Mild	GRIN2B	47	51
O=C(NC1CCN(Cc2cccc(F)n2)CC1)N1CCOCC1	ZINC000852190076	DD	On-Demand	Anodyne	DRD4	15	42
O=C(NC1CCN(Cc2cccc(F)n2)CC1)N1CCOCC1	ZINC000852190076	DD	On-Demand	Anodyne	SIGMAR1	16	41
O=C(NC1CCN(Cc2cccc(F)n2)CC1)N1CCOCC1	ZINC000852190076	DD	On-Demand	Anodyne	CCR3	26	45
O=C(NC1CCN(Cc2cccc(F)n2)CC1)N1CCOCC1	ZINC000852190076	DD	On-Demand	Anodyne	MCHR1	33	43
O=C(NC1CCN(Cc2ccccc2OC2CC2)CC1)N1CCOCC1	ZINC000852190080	FE	On-Demand	Anodyne	DRD4	19	41
O=C(NC1CCN(Cc2ccccc2OC2CC2)CC1)N1CCOCC1	ZINC000852190080	FE	On-Demand	Anodyne	SIGMAR1	20	46
O=C(NC1CCN(Cc2ccccc2OC2CC2)CC1)N1CCOCC1	ZINC000852190080	FE	On-Demand	Anodyne	SSTR5	54	40
O=C(NC1CCN(Cc2ccccc2OC2CC2)CC1)N1CCOCC1	ZINC000852190080	FE	On-Demand	Anodyne	CCR3	31	42
O=C(NC1CCN(Cc2ccccc2OC2CC2)CC1)N1CCOCC1	ZINC000852190080	FE	On-Demand	Anodyne	EPHX2	27	41
O=C(NC1CCN(Cc2ccccc2OC2CC2)CC1)N1CCOCC1	ZINC000852190080	FE	On-Demand	Anodyne	MCHR1	30	44
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCc3ccc(C#N)cc3)[C@@H]2C1	ZINC000852190082	EG	On-Demand	Mild	GPR119	41	49
Cn1ncc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)n1	ZINC000852190085	DE	On-Demand	Anodyne	GRIN2B	33	49
C[C@@H](C#N)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190086	DF	On-Demand	Mild	SLC6A3	23	53
C[C@@H](C#N)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190086	DF	On-Demand	Mild	GRIN2B	38	47
C[C@H](C#N)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190089	DF	On-Demand	Mild	SLC6A3	23	53
C[C@H](C#N)OCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190089	DF	On-Demand	Mild	GRIN2B	38	47
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cccnc1	ZINC000852190104	EF	On-Demand	Anodyne	GRIN2B	34	46
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cccnc1	ZINC000852190106	EF	On-Demand	Anodyne	GRIN2B	34	46
Cc1cnc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)s1	ZINC000852190112	EH	On-Demand	Anodyne	DRD4	18	52
Cc1cnc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)s1	ZINC000852190112	EH	On-Demand	Anodyne	GRIN2B	36	50
O=C1CC[C@H](CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)O1	ZINC000852190113	DD	On-Demand	Anodyne	SIGMAR1	29	45
O=C1CC[C@@H](CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)O1	ZINC000852190114	DD	On-Demand	Anodyne	SIGMAR1	29	45
c1ccc(CN2CC[C@H]3CN(Cc4cnon4)C[C@H]32)cc1	ZINC000852190138	CD	On-Demand	Anodyne	ADK	15	43
C[C@H](c1nc(N)nc(Cl)n1)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190140	FF	On-Demand	Anodyne	GRIN2B	30	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3CNC(=O)C3)[C@@H]2C1	ZINC000852190141	DD	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H]3CNC(=O)C3)[C@@H]2C1	ZINC000852190142	DD	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(F)n3)[C@@H]2C1	ZINC000852190144	DF	On-Demand	Anodyne	GPR119	45	44
CC(C)(C)OC(=O)N1CC(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000852190147	GH	On-Demand	Anodyne	GRIN2B	66	56
CC(C)(C)OC(=O)N1CC(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)C1	ZINC000852190147	GH	On-Demand	Anodyne	CCR3	18	40
Fc1cccc(CN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1	ZINC000852190161	DF	On-Demand	Anodyne	ADK	15	43
C=C(CBr)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190229	EH	On-Demand	Reactive	GRIN2B	49	53
O=C1O[C@@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CN1C1CC1	ZINC000852190238	FF	On-Demand	Anodyne	GRIN2B	24	42
O=C1O[C@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CN1C1CC1	ZINC000852190239	FF	On-Demand	Anodyne	GRIN2B	24	42
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)C1CC1	ZINC000852190249	CF	On-Demand	Anodyne	DRD4	15	46
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)C1CC1	ZINC000852190249	CF	On-Demand	Anodyne	GRIN2B	60	54
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)C1CC1	ZINC000852190250	CF	On-Demand	Anodyne	DRD4	15	46
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)C1CC1	ZINC000852190250	CF	On-Demand	Anodyne	GRIN2B	60	54
C[C@@H](CBr)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190254	FH	On-Demand	Reactive	GRIN2B	37	48
O=C(NC1CCN(Cc2cc(Cl)nc3ccccc23)CC1)N1CCOCC1	ZINC000852190277	GF	On-Demand	Anodyne	DRD4	28	46
O=C(NC1CCN(Cc2cc(Cl)nc3ccccc23)CC1)N1CCOCC1	ZINC000852190277	GF	On-Demand	Anodyne	ACHE	18	42
O=C(NC1CCN(Cc2cc(Cl)nc3ccccc23)CC1)N1CCOCC1	ZINC000852190277	GF	On-Demand	Anodyne	KCNH2	18	41
O=C(NC1CCN(Cc2cc(Cl)nc3ccccc23)CC1)N1CCOCC1	ZINC000852190277	GF	On-Demand	Anodyne	SIGMAR1	24	49
O=C(NC1CCN(Cc2cc(Cl)nc3ccccc23)CC1)N1CCOCC1	ZINC000852190277	GF	On-Demand	Anodyne	SSTR5	48	43
O=C(NC1CCN(Cc2cc(Cl)nc3ccccc23)CC1)N1CCOCC1	ZINC000852190277	GF	On-Demand	Anodyne	CCR3	34	46
O=C(NC1CCN(Cc2cc(Cl)nc3ccccc23)CC1)N1CCOCC1	ZINC000852190277	GF	On-Demand	Anodyne	TACR3	17	41
O=C(NC1CCN(Cc2cc(Cl)nc3ccccc23)CC1)N1CCOCC1	ZINC000852190277	GF	On-Demand	Anodyne	MCHR1	51	45
c1ccc(Cn2cc(CN3CCC(Cc4nc5ccccc5[nH]4)CC3)nn2)cc1	ZINC000852190299	GH	On-Demand	Anodyne	DRD4	37	49
c1ccc(Cn2cc(CN3CCC(Cc4nc5ccccc5[nH]4)CC3)nn2)cc1	ZINC000852190299	GH	On-Demand	Anodyne	ACHE	39	45
c1ccc(Cn2cc(CN3CCC(Cc4nc5ccccc5[nH]4)CC3)nn2)cc1	ZINC000852190299	GH	On-Demand	Anodyne	GRIN2B	55	55
c1ccc(Cn2cc(CN3CCC(Cc4nc5ccccc5[nH]4)CC3)nn2)cc1	ZINC000852190299	GH	On-Demand	Anodyne	SIGMAR1	39	42
COC(=O)[C@@H]1CN(Cc2cnon2)C[C@H]1c1ccc(Br)cc1	ZINC000852190316	FE	On-Demand	Anodyne	SLC6A4	18	40
COC(=O)[C@@H]1CN(Cc2cnon2)C[C@H]1c1ccc(Br)cc1	ZINC000852190316	FE	On-Demand	Anodyne	SLC6A3	29	40
O=C(NC1CCN(Cc2ccc(F)cn2)CC1)N1CCOCC1	ZINC000852190321	DD	On-Demand	Anodyne	KCNH2	15	40
O=C(NC1CCN(Cc2ccc(F)cn2)CC1)N1CCOCC1	ZINC000852190321	DD	On-Demand	Anodyne	SIGMAR1	18	43
O=C(NC1CCN(Cc2ccc(F)cn2)CC1)N1CCOCC1	ZINC000852190321	DD	On-Demand	Anodyne	SSTR5	43	39
O=C(NC1CCN(Cc2ccc(F)cn2)CC1)N1CCOCC1	ZINC000852190321	DD	On-Demand	Anodyne	CCR3	31	45
O=C(NC1CCN(Cc2ccc(F)cn2)CC1)N1CCOCC1	ZINC000852190321	DD	On-Demand	Anodyne	PDE4B	40	35
O=C(NC1CCN(Cc2ccc(F)cn2)CC1)N1CCOCC1	ZINC000852190321	DD	On-Demand	Anodyne	MCHR1	33	41
CC(C)(C)C(=O)NNC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190325	FE	On-Demand	Reactive	GRIN2B	74	55
Brc1ncn(CCN2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1	ZINC000852190332	GE	On-Demand	Anodyne	ADK	15	45
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cnon3)[C@@H]2C1	ZINC000852190340	CD	On-Demand	Anodyne	GPR119	38	44
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCn3cnc(Br)n3)[C@@H]2C1	ZINC000852190359	GD	On-Demand	Anodyne	GPR119	40	43
NC(=O)[C@@](O)(CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1	ZINC000852190364	FD	On-Demand	Anodyne	CYP2J2	45	33
NC(=O)[C@](O)(CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1	ZINC000852190367	FD	On-Demand	Anodyne	CYP2J2	45	33
C#CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190379	CE	On-Demand	Mild	GRIN2B	47	55
C#CCNC(=O)[C@H](C)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190383	DD	On-Demand	Mild	GRIN2B	54	52
C#CCNC(=O)[C@@H](C)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190385	DD	On-Demand	Mild	GRIN2B	54	52
Cc1nc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)nc2ccccc12	ZINC000852190407	FI	On-Demand	Anodyne	DRD4	26	55
Cc1nc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)nc2ccccc12	ZINC000852190407	FI	On-Demand	Anodyne	GRIN2B	50	53
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)C(C)C)C2)cc1	ZINC000852190437	DF	On-Demand	Clean	MTNR1A	20	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)C(C)C)C2)cc1	ZINC000852190437	DF	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)C(C)C)C2)cc1	ZINC000852190439	DF	On-Demand	Clean	MTNR1A	20	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)C(C)C)C2)cc1	ZINC000852190439	DF	On-Demand	Clean	MTNR1B	19	48
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cnc4ccccc4n3)[C@@H]2C1	ZINC000852190448	FG	On-Demand	Anodyne	GPR119	47	48
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)N1CCC2(CC1)OCCO2	ZINC000852190478	GE	On-Demand	Anodyne	GRIN2B	54	52
COc1ccc(OC)c([C@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852190494	GH	On-Demand	Anodyne	DRD4	18	48
COc1ccc(OC)c([C@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852190494	GH	On-Demand	Anodyne	GRIN2B	37	43
COc1ccc(OC)c([C@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852190494	GH	On-Demand	Anodyne	CCR3	18	45
C#CCN1CCN(C(=O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CC1	ZINC000852190502	GD	On-Demand	Mild	GRIN2B	60	55
COC(=O)Cn1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)nn1	ZINC000852190532	FD	On-Demand	Anodyne	DRD4	19	46
COC(=O)Cn1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)nn1	ZINC000852190532	FD	On-Demand	Anodyne	GRIN2B	36	49
O=C(NC1CCN([C@H]2C[C@@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190535	EE	On-Demand	Anodyne	SLC18A3	41	38
O=C(NC1CCN([C@H]2C[C@@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190535	EE	On-Demand	Anodyne	EPHX2	34	47
O=C(NC1CCN([C@H]2C[C@@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190535	EE	On-Demand	Anodyne	SMO	37	49
O=C(NC1CCN([C@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190536	EE	On-Demand	Anodyne	SLC18A3	41	38
O=C(NC1CCN([C@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190536	EE	On-Demand	Anodyne	EPHX2	34	47
O=C(NC1CCN([C@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190536	EE	On-Demand	Anodyne	SMO	37	49
O=C(NC1CCN([C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190537	EE	On-Demand	Anodyne	SLC18A3	41	38
O=C(NC1CCN([C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190537	EE	On-Demand	Anodyne	EPHX2	34	47
O=C(NC1CCN([C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1	ZINC000852190537	EE	On-Demand	Anodyne	SMO	37	49
FC(F)(F)c1cncc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852190556	FI	On-Demand	Anodyne	DRD4	16	45
FC(F)(F)c1cncc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852190556	FI	On-Demand	Anodyne	ACHE	16	40
FC(F)(F)c1cncc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852190556	FI	On-Demand	Anodyne	GRIN2B	34	51
O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CCOCC1	ZINC000852190563	FD	On-Demand	Anodyne	DRD4	28	46
O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CCOCC1	ZINC000852190563	FD	On-Demand	Anodyne	KCNH2	19	56
O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CCOCC1	ZINC000852190563	FD	On-Demand	Anodyne	SIGMAR1	25	61
O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CCOCC1	ZINC000852190563	FD	On-Demand	Anodyne	SSTR5	64	37
O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CCOCC1	ZINC000852190563	FD	On-Demand	Anodyne	CCR3	38	48
O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)N1CCOCC1	ZINC000852190563	FD	On-Demand	Anodyne	MCHR1	63	58
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)C1CC1	ZINC000852190564	FD	On-Demand	Reactive	DRD4	16	43
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)C1CC1	ZINC000852190564	FD	On-Demand	Reactive	GRIN2B	74	58
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	DRD4	21	43
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	HTR4	23	43
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	LTA4H	15	44
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	CNR2	17	45
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	SIGMAR1	31	49
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	CYSP_TRYCR	16	41
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	CTSL	16	44
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	CCR3	24	41
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	CTSS	23	41
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	EPHX2	32	40
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	NPR	42	31
O=C(CCN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852190565	GD	On-Demand	Anodyne	CYP2J2	44	31
Cc1nccc(CN2CCC(NC(=O)N3CCOCC3)CC2)n1	ZINC000852190566	DC	On-Demand	Anodyne	SSTR5	59	38
Cc1nccc(CN2CCC(NC(=O)N3CCOCC3)CC2)n1	ZINC000852190566	DC	On-Demand	Anodyne	MCHR1	33	43
CON(C)C(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190571	DD	On-Demand	Anodyne	GRIN2B	63	54
c1ccc2[nH]c(CC3CCN(Cc4ccc5c(c4)COC5)CC3)nc2c1	ZINC000852190574	EI	On-Demand	Anodyne	DRD4	24	47
c1ccc2[nH]c(CC3CCN(Cc4ccc5c(c4)COC5)CC3)nc2c1	ZINC000852190574	EI	On-Demand	Anodyne	GRIN2B	46	52
O=C(NC1CCN(C[C@@H](O)c2cc3ccccc3o2)CC1)N1CCOCC1	ZINC000852190587	FD	On-Demand	Anodyne	CCR3	18	41
CO[C@@](C)(CNC(=O)NC1CCC(C)(O)CC1)COCc1ccccc1	ZINC000852190598	FF	On-Demand	Anodyne	EPHX2	21	40
FC(F)OCCN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000852190605	CE	On-Demand	Anodyne	SLC6A4	18	41
FC(F)OCCN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC000852190605	CE	On-Demand	Anodyne	SLC6A3	53	41
CC(C)c1ccc2c(c1)CN(C(=O)NC1CCC(C)(O)CC1)CC2	ZINC000852190608	EH	On-Demand	Anodyne	MAPK1	41	34
O=C(CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)Nc1ccc(Cl)nc1	ZINC000852190637	FF	On-Demand	Anodyne	LTA4H	22	41
O=C(CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)Nc1ccc(Cl)nc1	ZINC000852190637	FF	On-Demand	Anodyne	ADK	17	52
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCc3cnn[nH]3)[C@@H]2C1	ZINC000852190656	DD	On-Demand	Anodyne	GPR119	36	40
O=C1OCCN1CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190693	EE	On-Demand	Anodyne	GRIN2B	39	48
C=C(Br)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190718	EH	On-Demand	Mild	GRIN2B	55	55
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1cccnc1Cl	ZINC000852190719	GH	On-Demand	Anodyne	DRD4	18	45
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1cccnc1Cl	ZINC000852190719	GH	On-Demand	Anodyne	GRIN2B	51	49
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1cccnc1Cl	ZINC000852190719	GH	On-Demand	Anodyne	PRCP	47	43
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1F	ZINC000852190741	FH	On-Demand	Anodyne	DRD4	15	44
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1F	ZINC000852190741	FH	On-Demand	Anodyne	GRIN2B	41	46
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1F	ZINC000852190741	FH	On-Demand	Anodyne	CCR3	17	46
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1F	ZINC000852190742	FH	On-Demand	Anodyne	DRD4	15	44
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1F	ZINC000852190742	FH	On-Demand	Anodyne	GRIN2B	41	46
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1F	ZINC000852190742	FH	On-Demand	Anodyne	CCR3	17	46
FC(F)C(F)(F)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190762	EH	On-Demand	Anodyne	GRIN2B	36	48
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190771	GH	On-Demand	Anodyne	GRIN2B	35	46
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190771	GH	On-Demand	Anodyne	G2YM83_BOTF4	50	32
Cc1cnc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cn1	ZINC000852190772	DG	On-Demand	Anodyne	DRD4	17	52
Cc1cnc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cn1	ZINC000852190772	DG	On-Demand	Anodyne	GRIN2B	33	50
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CN3CCOCC3)C2)cc1	ZINC000852190785	GD	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CN3CCOCC3)C2)cc1	ZINC000852190786	GD	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)N(C)C3CC3)C2)cc1	ZINC000852190787	EE	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)N(C)C3CC3)C2)cc1	ZINC000852190787	EE	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N(C)C3CC3)C2)cc1	ZINC000852190788	EE	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N(C)C3CC3)C2)cc1	ZINC000852190788	EE	On-Demand	Clean	MTNR1B	16	46
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3nsc4ccccc34)[C@@H]2C1	ZINC000852190799	FH	On-Demand	Anodyne	GPR119	32	45
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3cnccn3)[C@@H]2C1	ZINC000852190807	ED	On-Demand	Anodyne	GPR119	40	53
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1	ZINC000852190826	FG	On-Demand	Bother	GPR119	37	47
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@H]3CCC(=O)O3)[C@@H]2C1	ZINC000852190846	DD	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3CCC(=O)O3)[C@@H]2C1	ZINC000852190847	DD	On-Demand	Anodyne	GPR119	27	41
COc1cc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)on1	ZINC000852190850	DE	On-Demand	Anodyne	GPR119	40	43
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@@H]1c1ccc(Br)cc1	ZINC000852190859	GF	On-Demand	Anodyne	SLC6A4	35	49
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@@H]1c1ccc(Br)cc1	ZINC000852190859	GF	On-Demand	Anodyne	SLC6A3	63	49
COc1ccc(N2CC[C@H](NC(=O)NC3CC(C)C3)C2)cc1	ZINC000852190874	DE	On-Demand	Clean	MTNR1A	15	49
COc1ccc(N2CC[C@H](NC(=O)NC3CC(C)C3)C2)cc1	ZINC000852190874	DE	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)NC3CC(C)C3)C2)cc1	ZINC000852190874	DE	On-Demand	Clean	EPHX2	22	44
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)nc3)[C@@H]2C1	ZINC000852190889	GF	On-Demand	Anodyne	GPR119	47	42
COC(=O)/C(C)=C\CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190894	EF	On-Demand	Anodyne	DRD4	17	47
COC(=O)/C(C)=C\CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190894	EF	On-Demand	Anodyne	HTR4	40	37
COC(=O)/C(C)=C\CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190894	EF	On-Demand	Anodyne	GRIN2B	71	55
COC(=O)/C(C)=C\CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190894	EF	On-Demand	Anodyne	CARM1	45	32
COC(=O)/C(C)=C/CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190895	EF	On-Demand	Anodyne	DRD4	17	47
COC(=O)/C(C)=C/CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190895	EF	On-Demand	Anodyne	HTR4	40	37
COC(=O)/C(C)=C/CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190895	EF	On-Demand	Anodyne	GRIN2B	71	55
COC(=O)/C(C)=C/CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190895	EF	On-Demand	Anodyne	CARM1	45	32
N#CCCNC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190921	ED	On-Demand	Mild	GRIN2B	46	52
N#CCCNC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190921	ED	On-Demand	Mild	PLD1	43	37
N#CCCNC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190921	ED	On-Demand	Mild	PLD2	40	37
C=C(Cl)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852190937	CH	On-Demand	Mild	GRIN2B	56	55
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1F	ZINC000852190946	FH	On-Demand	Anodyne	DRD4	15	47
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1F	ZINC000852190946	FH	On-Demand	Anodyne	GRIN2B	43	48
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1F	ZINC000852190947	FH	On-Demand	Anodyne	DRD4	15	47
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1F	ZINC000852190947	FH	On-Demand	Anodyne	GRIN2B	43	48
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NCc1ccccn1	ZINC000852190951	FF	On-Demand	Anodyne	DRD4	15	48
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NCc1ccccn1	ZINC000852190951	FF	On-Demand	Anodyne	GRIN2B	63	51
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NCc1ccccn1	ZINC000852190951	FF	On-Demand	Anodyne	PRCP	18	42
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NCc1ccccn1	ZINC000852190951	FF	On-Demand	Anodyne	CXCR4	34	41
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190960	FH	On-Demand	Anodyne	DRD4	15	47
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190960	FH	On-Demand	Anodyne	SLC6A4	16	53
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190960	FH	On-Demand	Anodyne	SLC6A3	35	53
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190960	FH	On-Demand	Anodyne	GRIN2B	48	56
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190960	FH	On-Demand	Anodyne	GRIN2C	15	56
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190961	FH	On-Demand	Anodyne	DRD4	15	47
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190961	FH	On-Demand	Anodyne	SLC6A4	16	53
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190961	FH	On-Demand	Anodyne	SLC6A3	35	53
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190961	FH	On-Demand	Anodyne	GRIN2B	48	56
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1	ZINC000852190961	FH	On-Demand	Anodyne	GRIN2C	15	56
c1ccc2[nH]c(CC3CCN(Cc4cscn4)CC3)nc2c1	ZINC000852190970	DG	On-Demand	Anodyne	DRD4	15	52
c1ccc2[nH]c(CC3CCN(Cc4cscn4)CC3)nc2c1	ZINC000852190970	DG	On-Demand	Anodyne	GRIN2B	47	55
c1ccc2[nH]c(CC3CCN(Cc4cscn4)CC3)nc2c1	ZINC000852190970	DG	On-Demand	Anodyne	SCN5A	54	41
CC[C@@H](C)c1ccc(NC(=O)CN(C)Cc2nnc(O)o2)cc1	ZINC000852190984	DE	On-Demand	Anodyne	SCN2A	16	46
O=C(CN1CCC(c2nc3c(s2)CCCC3)CC1)Nc1ccc(Cl)nc1	ZINC000852191013	GH	On-Demand	Anodyne	SLC27A1	57	48
O[C@@H](CN1CCC(c2nc3c(s2)CCCC3)CC1)c1ccccn1	ZINC000852191057	EG	On-Demand	Anodyne	SLC27A1	26	40
O[C@H](CN1CCC(c2nc3c(s2)CCCC3)CC1)c1ccccn1	ZINC000852191060	EG	On-Demand	Anodyne	SLC27A1	26	40
Cc1nc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c(C)o1	ZINC000852191069	DF	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCC3CCC3)[C@@H]2C1	ZINC000852191102	CG	On-Demand	Anodyne	GPR119	30	41
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccc(Br)cc1	ZINC000852191139	GG	On-Demand	Anodyne	SLC6A4	22	42
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccc(Br)cc1	ZINC000852191139	GG	On-Demand	Anodyne	SLC6A3	36	42
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCc3nsc4ccccc34)[C@@H]2C1	ZINC000852191148	FH	On-Demand	Anodyne	GPR119	31	43
COCC(C)(C)N1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852191150	EC	On-Demand	Anodyne	CHRM3	21	42
COCC(C)(C)N1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852191151	EC	On-Demand	Anodyne	CHRM3	21	42
NC(=O)[C@](O)(CN1CCC(c2nc3c(s2)CCCC3)CC1)c1ccccc1	ZINC000852191152	GF	On-Demand	Anodyne	CYP2J2	43	32
NC(=O)[C@](O)(CN1CCC(c2nc3c(s2)CCCC3)CC1)c1ccccc1	ZINC000852191152	GF	On-Demand	Anodyne	SLC27A1	31	40
NC(=O)[C@@](O)(CN1CCC(c2nc3c(s2)CCCC3)CC1)c1ccccc1	ZINC000852191153	GF	On-Demand	Anodyne	CYP2J2	43	32
NC(=O)[C@@](O)(CN1CCC(c2nc3c(s2)CCCC3)CC1)c1ccccc1	ZINC000852191153	GF	On-Demand	Anodyne	SLC27A1	31	40
C[C@@H](ON=Cc1ccccc1C(F)(F)F)C(=O)NC1CC1	ZINC000852191160	DF	On-Demand	Mild	RBP4	45	33
COc1cc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)sn1	ZINC000852191169	EF	On-Demand	Anodyne	GPR119	35	42
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)[C@H](C)C1	ZINC000852191187	CD	On-Demand	Anodyne	CHRM3	31	41
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@H](C)C1	ZINC000852191188	CD	On-Demand	Anodyne	CHRM3	31	41
CN(C[C@@H]1CCC[C@@H](O)C1)C[C@@](C)(O)c1ccccc1	ZINC000852191205	CE	On-Demand	Anodyne	AMY2	47	33
CN(C[C@@H]1CCC[C@H](O)C1)C[C@@](C)(O)c1ccccc1	ZINC000852191206	CE	On-Demand	Anodyne	AMY2	47	33
CN(C[C@@H]1CCC[C@@H](O)C1)C[C@](C)(O)c1ccccc1	ZINC000852191207	CE	On-Demand	Anodyne	AMY2	47	33
CN(C[C@@H]1CCC[C@H](O)C1)C[C@](C)(O)c1ccccc1	ZINC000852191208	CE	On-Demand	Anodyne	AMY2	47	33
CN(C[C@@](C)(O)c1ccccc1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O	ZINC000852191222	FD	On-Demand	Anodyne	AMY2	56	33
CN(C[C@@](C)(O)c1ccccc1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O	ZINC000852191223	FD	On-Demand	Anodyne	AMY2	56	33
CNS(=O)(=O)c1ccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	ZINC000852191238	GE	On-Demand	Anodyne	TGM2	23	42
CNS(=O)(=O)c1ccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	ZINC000852191238	GE	On-Demand	Anodyne	F13A1	36	42
CNS(=O)(=O)c1ccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	ZINC000852191238	GE	On-Demand	Anodyne	GPR119	53	49
CNS(=O)(=O)c1ccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	ZINC000852191238	GE	On-Demand	Anodyne	SFRP1	62	40
CNS(=O)(=O)c1ccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1	ZINC000852191238	GE	On-Demand	Anodyne	WNT3	47	35
OC1(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CCCCC1	ZINC000852191273	EH	On-Demand	Anodyne	GRIN2B	41	50
Cc1nc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)c(C)o1	ZINC000852191276	GF	On-Demand	Anodyne	PDE8B	56	33
O[C@@H](CN1CCCC1)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191325	EE	On-Demand	Anodyne	DRD4	15	46
O[C@@H](CN1CCCC1)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191325	EE	On-Demand	Anodyne	HTR4	21	41
O[C@@H](CN1CCCC1)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191325	EE	On-Demand	Anodyne	GRIN2B	50	52
O[C@H](CN1CCCC1)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191326	EE	On-Demand	Anodyne	DRD4	15	46
O[C@H](CN1CCCC1)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191326	EE	On-Demand	Anodyne	HTR4	21	41
O[C@H](CN1CCCC1)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191326	EE	On-Demand	Anodyne	GRIN2B	50	52
CC(=O)c1ccc(N2CCN(C(=O)CN(C)Cc3nnc(O)o3)CC2)c(F)c1	ZINC000852191340	GC	On-Demand	Anodyne	NPY2R	57	34
CC(=O)c1ccc(N2CCN(C(=O)CN(C)Cc3nnc(O)o3)CC2)c(F)c1	ZINC000852191340	GC	On-Demand	Anodyne	SLC6A9	16	44
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)c1cccs1	ZINC000852191359	GE	On-Demand	Reactive	GRIN2B	56	52
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)c1cccs1	ZINC000852191359	GE	On-Demand	Reactive	STK33	33	41
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC=C(Cl)Cl)[C@@H]2C1	ZINC000852191366	DG	On-Demand	Anodyne	GPR119	24	40
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191373	GG	On-Demand	Anodyne	SLC6A2	17	53
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191373	GG	On-Demand	Anodyne	SLC6A4	44	53
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191373	GG	On-Demand	Anodyne	SLC6A3	80	53
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191375	GG	On-Demand	Anodyne	SLC6A2	17	53
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191375	GG	On-Demand	Anodyne	SLC6A4	44	53
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191375	GG	On-Demand	Anodyne	SLC6A3	80	53
O=c1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c2ccc(O)cc2o1	ZINC000852191376	GH	On-Demand	Anodyne	GRIN2B	52	55
O=c1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)c2ccc(O)cc2o1	ZINC000852191376	GH	On-Demand	Anodyne	HSD17B3	31	44
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191377	GG	On-Demand	Anodyne	SLC6A2	17	53
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191377	GG	On-Demand	Anodyne	SLC6A4	44	53
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191377	GG	On-Demand	Anodyne	SLC6A3	80	53
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191378	GG	On-Demand	Anodyne	SLC6A2	17	53
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191378	GG	On-Demand	Anodyne	SLC6A4	44	53
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Br)cc1	ZINC000852191378	GG	On-Demand	Anodyne	SLC6A3	80	53
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC3=NS(=O)(=O)c4ccccc43)[C@@H]2C1	ZINC000852191384	GE	On-Demand	Anodyne	GPR119	31	46
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852191429	GD	On-Demand	Anodyne	AMY2	52	30
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852191429	GD	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852191430	GD	On-Demand	Anodyne	AMY2	52	30
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@@](O)(C(N)=O)c3ccccc3)[C@@H]2C1	ZINC000852191430	GD	On-Demand	Anodyne	GPR119	36	45
CC[C@](C)(C(=O)OC)N(CCOC(F)F)CC1CC1	ZINC000852191431	CE	On-Demand	Anodyne	AMY2	43	30
CC[C@@](C)(C(=O)OC)N(CCOC(F)F)CC1CC1	ZINC000852191432	CE	On-Demand	Anodyne	AMY2	43	30
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(C4CC4)no3)[C@@H]2C1	ZINC000852191442	EF	On-Demand	Anodyne	GPR119	32	40
COC(=O)[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(Br)cc1	ZINC000852191443	GF	On-Demand	Anodyne	SLC6A4	15	40
COC(=O)[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(Br)cc1	ZINC000852191443	GF	On-Demand	Anodyne	SLC6A3	24	40
COC(=O)[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(Br)cc1	ZINC000852191444	GF	On-Demand	Anodyne	SLC6A4	15	40
COC(=O)[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(Br)cc1	ZINC000852191444	GF	On-Demand	Anodyne	SLC6A3	24	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ncsc3Br)[C@@H]2C1	ZINC000852191487	GG	On-Demand	Anodyne	GPR119	37	43
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCOCc3ccccc3)[C@@H]2C1	ZINC000852191488	EG	On-Demand	Anodyne	UGCG	41	35
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCOCc3ccccc3)[C@@H]2C1	ZINC000852191488	EG	On-Demand	Anodyne	GBA2	51	39
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCOCc3ccccc3)[C@@H]2C1	ZINC000852191488	EG	On-Demand	Anodyne	GPR119	40	45
CO[C@@H](CN(C)C[C@](C)(O)c1ccccc1)C1CCCC1	ZINC000852191499	CG	On-Demand	Anodyne	AMY2	53	37
CO[C@@H](CN(C)C[C@@](C)(O)c1ccccc1)C1CCCC1	ZINC000852191501	CG	On-Demand	Anodyne	AMY2	53	37
CC[C@](C)(C(=O)OC)N(CC1CC1)C[C@H](O)c1ccccn1	ZINC000852191511	DE	On-Demand	Anodyne	AMY2	43	30
CC[C@](C)(C(=O)OC)N(CC1CC1)C[C@@H](O)c1ccccn1	ZINC000852191512	DE	On-Demand	Anodyne	AMY2	43	30
CC[C@@](C)(C(=O)OC)N(CC1CC1)C[C@H](O)c1ccccn1	ZINC000852191514	DE	On-Demand	Anodyne	AMY2	43	30
CC[C@@](C)(C(=O)OC)N(CC1CC1)C[C@@H](O)c1ccccn1	ZINC000852191516	DE	On-Demand	Anodyne	AMY2	43	30
CN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@@](C)(O)c1ccccc1	ZINC000852191517	EG	On-Demand	Anodyne	AMY2	45	32
CN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@@](C)(O)c1ccccc1	ZINC000852191519	EG	On-Demand	Anodyne	AMY2	45	32
CN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@](C)(O)c1ccccc1	ZINC000852191521	EG	On-Demand	Anodyne	AMY2	45	32
CN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@](C)(O)c1ccccc1	ZINC000852191523	EG	On-Demand	Anodyne	AMY2	45	32
Cn1cc([C@@H]2OCC[C@H]2NCC(=O)Nc2ccc(Cl)nc2)cn1	ZINC000852191525	ED	On-Demand	Anodyne	IMDH_CRYPV	17	40
C[C@@H](ON=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cc1	ZINC000852191538	FJ	On-Demand	Mild	IMDH_CRYPV	25	41
CN(C[C@@](C)(O)c1ccccc1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852191575	ED	On-Demand	Anodyne	AMY2	57	36
CN(C[C@@](C)(O)c1ccccc1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852191579	ED	On-Demand	Anodyne	AMY2	57	36
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC(F)(F)Br)[C@@H]2C1	ZINC000852191598	FF	On-Demand	Anodyne	GPR119	35	44
CN(CCOC(F)F)C[C@@](C)(O)c1ccccc1	ZINC000852191615	CE	On-Demand	Anodyne	AMY2	60	36
CN(CCOC(F)F)C[C@](C)(O)c1ccccc1	ZINC000852191616	CE	On-Demand	Anodyne	AMY2	60	36
CCOC(=O)C1=C(CN(C)Cc2nnc(O)o2)NC(=O)N[C@H]1c1ccccc1	ZINC000852191639	GD	On-Demand	Anodyne	SLC27A4	72	34
CCOC(=O)C1=C(CN(C)Cc2nnc(O)o2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852191640	GD	On-Demand	Anodyne	SLC27A4	72	34
c1ccc2[nH]c(CC3CCN(CCN4CCCC4)CC3)nc2c1	ZINC000852191654	DF	On-Demand	Anodyne	DRD4	17	52
c1ccc2[nH]c(CC3CCN(CCN4CCCC4)CC3)nc2c1	ZINC000852191654	DF	On-Demand	Anodyne	GRIN2B	59	55
c1ccc2[nH]c(CC3CCN(CCN4CCCC4)CC3)nc2c1	ZINC000852191654	DF	On-Demand	Anodyne	LTA4H	23	48
c1ccc2[nH]c(CC3CCN(CCN4CCCC4)CC3)nc2c1	ZINC000852191654	DF	On-Demand	Anodyne	HRH3	17	43
c1ccc2[nH]c(CC3CCN(CCN4CCCC4)CC3)nc2c1	ZINC000852191654	DF	On-Demand	Anodyne	KCNN3	38	44
c1ccc2[nH]c(CC3CCN(CCN4CCCC4)CC3)nc2c1	ZINC000852191654	DF	On-Demand	Anodyne	HNMT	51	33
O=C1[C@@H](N2CCC(Cc3nc4ccccc4[nH]3)CC2)CCN1C1CCOCC1	ZINC000852191662	GF	On-Demand	Anodyne	GRIN2B	28	42
O=C1[C@H](N2CCC(Cc3nc4ccccc4[nH]3)CC2)CCN1C1CCOCC1	ZINC000852191663	GF	On-Demand	Anodyne	GRIN2B	28	42
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)c1ccccc1	ZINC000852191674	GE	On-Demand	Reactive	DRD4	20	41
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)c1ccccc1	ZINC000852191674	GE	On-Demand	Reactive	GRIN2B	88	58
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)c1ccccc1	ZINC000852191674	GE	On-Demand	Reactive	HTR2B	15	62
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)c1ccccc1	ZINC000852191674	GE	On-Demand	Reactive	PLD1	45	36
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)c1ccccc1	ZINC000852191674	GE	On-Demand	Reactive	PLD2	42	36
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)NNC(=O)c1ccccc1	ZINC000852191674	GE	On-Demand	Reactive	PIN1	29	40
NC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191676	GF	On-Demand	Anodyne	DRD4	18	40
NC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191676	GF	On-Demand	Anodyne	GRIN2B	66	56
NC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191676	GF	On-Demand	Anodyne	CCR3	19	40
NC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191676	GF	On-Demand	Anodyne	PARP2	74	41
NC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191676	GF	On-Demand	Anodyne	MAPK9	44	32
NC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191676	GF	On-Demand	Anodyne	MAPK10	45	32
NC(=O)c1ccccc1NC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191676	GF	On-Demand	Anodyne	PARP1	61	41
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(O)cc1	ZINC000852191889	FG	On-Demand	Anodyne	DRD4	20	44
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(O)cc1	ZINC000852191889	FG	On-Demand	Anodyne	GRIN2B	80	57
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(O)cc1	ZINC000852191889	FG	On-Demand	Anodyne	HPSE	18	42
O=C(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)Nc1ccc(O)cc1	ZINC000852191889	FG	On-Demand	Anodyne	NR2E3	61	34
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	DRD2	21	48
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	DRD4	22	42
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	DRD3	26	40
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	HTR4	56	40
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	GRIN2B	66	52
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	HTR7	15	40
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	PRCP	19	42
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	ACACB	16	43
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	PLD1	84	43
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	REN	42	37
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	PLD2	88	43
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	CACNA1I	49	36
CC(C)(C)OC(=O)NCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191915	FG	On-Demand	Anodyne	CARM1	43	31
COCCS(=O)(=O)CCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191922	GE	On-Demand	Anodyne	HTR4	41	38
COCCS(=O)(=O)CCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191922	GE	On-Demand	Anodyne	GRIN2B	46	50
CCCS(=O)(=O)CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852191944	EF	On-Demand	Anodyne	GRIN2B	47	49
CC(=O)c1ccccc1OCCON=Cc1ccccc1C(F)(F)F	ZINC000852191961	FI	On-Demand	Mild	KCNK3	23	41
CC(=O)c1ccccc1OCCON=Cc1ccccc1C(F)(F)F	ZINC000852191961	FI	On-Demand	Mild	KCNK9	18	41
C#CCOCCN1Cc2ccccc2C[C@@H]1C(=O)NCC	ZINC000852192059	CD	On-Demand	Mild	CFTR	47	33
C#CCOCCN1Cc2ccccc2C[C@@H]1C(=O)NCC	ZINC000852192059	CD	On-Demand	Mild	ADAM9	66	38
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC3C[C@H]4C[C@@H]4C3)[C@@H]2C1	ZINC000852192081	DF	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C[C@H]3C[C@@H]4C[C@@H]4C3)[C@@H]2C1	ZINC000852192082	DF	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CC[C@@H]2CN(CC3C[C@@H]4C[C@H]4C3)[C@@H]2C1	ZINC000852192083	DF	On-Demand	Anodyne	GPR119	26	40
CO[C@@H]1CC[C@@H](N(C)C[C@@](C)(O)c2ccccc2)C1	ZINC000852192132	CE	On-Demand	Anodyne	AMY2	45	32
CO[C@@H]1CC[C@@H](N(C)C[C@](C)(O)c2ccccc2)C1	ZINC000852192133	CE	On-Demand	Anodyne	AMY2	45	32
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cccc(F)c1	ZINC000852192202	FH	On-Demand	Anodyne	SLC6A3	16	45
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cccc(F)c1	ZINC000852192202	FH	On-Demand	Anodyne	GRIN2B	44	46
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cccc(F)c1	ZINC000852192204	FH	On-Demand	Anodyne	SLC6A3	16	45
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cccc(F)c1	ZINC000852192204	FH	On-Demand	Anodyne	GRIN2B	44	46
O=C1OCC[C@@H]1CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192264	EF	On-Demand	Anodyne	GRIN2B	42	48
O=C1OCC[C@H]1CCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192266	EF	On-Demand	Anodyne	GRIN2B	42	48
C[C@@](O)(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852192268	EH	On-Demand	Anodyne	GRIN2B	59	53
C[C@@](O)(CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1	ZINC000852192268	EH	On-Demand	Anodyne	CYP2J2	45	34
Fc1cccc(-c2nnc(CN3CCC(Cc4nc5ccccc5[nH]4)CC3)o2)c1	ZINC000852192275	GI	On-Demand	Anodyne	GRIN2B	20	45
c1ccc2[nH]c(CC3CCN(Cc4nc5ccccc5[nH]4)CC3)nc2c1	ZINC000852192277	EH	On-Demand	Anodyne	DRD4	30	67
c1ccc2[nH]c(CC3CCN(Cc4nc5ccccc5[nH]4)CC3)nc2c1	ZINC000852192277	EH	On-Demand	Anodyne	ACHE	15	40
c1ccc2[nH]c(CC3CCN(Cc4nc5ccccc5[nH]4)CC3)nc2c1	ZINC000852192277	EH	On-Demand	Anodyne	GRIN2B	61	67
O=C1OCC[C@@H]1N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192296	CE	On-Demand	Anodyne	GRIN2B	34	50
O=C1OCC[C@H]1N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192298	CE	On-Demand	Anodyne	GRIN2B	34	50
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)c(F)c1	ZINC000852192300	FH	On-Demand	Anodyne	SLC6A3	19	45
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)c(F)c1	ZINC000852192300	FH	On-Demand	Anodyne	GRIN2B	40	50
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)c(F)c1	ZINC000852192302	FH	On-Demand	Anodyne	SLC6A3	19	45
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(F)c(F)c1	ZINC000852192302	FH	On-Demand	Anodyne	GRIN2B	40	50
O=C(NC1CCN(CCc2cccs2)CC1)N1CCOCC1	ZINC000852192346	DD	On-Demand	Anodyne	SIGMAR1	15	50
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC1CCC(C)(O)CC1	ZINC000852192358	DF	On-Demand	Anodyne	EPHX2	30	45
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852192374	GD	On-Demand	Anodyne	G2YM83_BOTF4	58	33
N#CCOc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	FD	On-Demand	Mild	DRD4	21	42
N#CCOc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	FD	On-Demand	Mild	HRH3	21	42
N#CCOc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	FD	On-Demand	Mild	SIGMAR1	29	45
N#CCOc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	FD	On-Demand	Mild	SSTR5	47	36
N#CCOc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	FD	On-Demand	Mild	CCR3	37	47
N#CCOc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	FD	On-Demand	Mild	UTS2R	16	41
N#CCOc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	FD	On-Demand	Mild	SLC6A5	32	43
N#CCOc1ccc(CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192383	FD	On-Demand	Mild	MCHR1	48	44
CN1CCC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1=O	ZINC000852192407	FD	On-Demand	Anodyne	TACR2	51	36
CN1CCC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1=O	ZINC000852192408	FD	On-Demand	Anodyne	TACR2	51	36
CNS(=O)(=O)c1ccc(CN(C)C[C@@](C)(O)c2ccccc2)cc1	ZINC000852192425	ED	On-Demand	Anodyne	LIMK2	34	41
CNS(=O)(=O)c1ccc(CN(C)C[C@](C)(O)c2ccccc2)cc1	ZINC000852192426	ED	On-Demand	Anodyne	LIMK2	34	41
COc1cc(CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)on1	ZINC000852192429	GD	On-Demand	Anodyne	PANC	40	31
O=C(NC1CCN(Cc2cccc3c2OCCO3)CC1)N1CCOCC1	ZINC000852192430	FD	On-Demand	Anodyne	DRD4	15	41
O=C(NC1CCN(Cc2cccc3c2OCCO3)CC1)N1CCOCC1	ZINC000852192430	FD	On-Demand	Anodyne	SIGMAR1	15	43
O=C(NC1CCN(Cc2cccc3c2OCCO3)CC1)N1CCOCC1	ZINC000852192430	FD	On-Demand	Anodyne	MCHR1	28	42
CN(CCO[C@H]1CC1(F)F)C[C@](C)(O)c1ccccc1	ZINC000852192492	CE	On-Demand	Anodyne	AMY2	59	35
CN(CCO[C@@H]1CC1(F)F)C[C@](C)(O)c1ccccc1	ZINC000852192493	CE	On-Demand	Anodyne	AMY2	59	35
CN(CCO[C@H]1CC1(F)F)C[C@@](C)(O)c1ccccc1	ZINC000852192494	CE	On-Demand	Anodyne	AMY2	59	35
CN(CCO[C@@H]1CC1(F)F)C[C@@](C)(O)c1ccccc1	ZINC000852192496	CE	On-Demand	Anodyne	AMY2	59	35
COc1ccc(N2CC[C@H](NC(=O)NCCn3cccc3)C2)cc1	ZINC000852192505	EE	On-Demand	Clean	DRD4	46	38
COc1ccc(N2CC[C@H](NC(=O)NCCn3cccc3)C2)cc1	ZINC000852192505	EE	On-Demand	Clean	MTNR1A	25	48
COc1ccc(N2CC[C@H](NC(=O)NCCn3cccc3)C2)cc1	ZINC000852192505	EE	On-Demand	Clean	MTNR1B	18	48
COc1ccc(N2CC[C@H](NC(=O)NCCn3cccc3)C2)cc1	ZINC000852192505	EE	On-Demand	Clean	MCHR1	16	46
C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852192537	GF	On-Demand	Mild	PTGES	15	46
C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852192537	GF	On-Demand	Mild	PDS	43	38
N#Cc1ccc([C@@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852192543	FG	On-Demand	Mild	GRIN2B	33	50
N#Cc1ccc([C@@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852192543	FG	On-Demand	Mild	GRIN2C	18	43
N#Cc1ccc([C@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852192544	FG	On-Demand	Mild	GRIN2B	33	50
N#Cc1ccc([C@H](O)CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852192544	FG	On-Demand	Mild	GRIN2C	18	43
Cc1ccccc1[C@@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192557	EH	On-Demand	Anodyne	DRD4	15	43
Cc1ccccc1[C@@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192557	EH	On-Demand	Anodyne	GRIN2B	41	48
Cc1ccccc1[C@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192558	EH	On-Demand	Anodyne	DRD4	15	43
Cc1ccccc1[C@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192558	EH	On-Demand	Anodyne	GRIN2B	41	48
C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852192585	GF	On-Demand	Mild	PTGES	15	46
C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852192585	GF	On-Demand	Mild	PDS	43	38
C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852192589	GF	On-Demand	Mild	PTGES	15	46
C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852192589	GF	On-Demand	Mild	PDS	43	38
C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852192591	GF	On-Demand	Mild	PTGES	15	46
C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852192591	GF	On-Demand	Mild	PDS	43	38
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN3CCN(C)CC3)C2)cc1	ZINC000852192610	GD	On-Demand	Clean	BIRC2	30	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CN3CCN(C)CC3)C2)cc1	ZINC000852192611	GD	On-Demand	Clean	BIRC2	30	41
CC(=O)c1cc(F)cc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1O	ZINC000852192635	GD	On-Demand	Clean	CCR3	25	41
C#CCNC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192678	DD	On-Demand	Mild	DRD4	15	41
C#CCNC(=O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852192678	DD	On-Demand	Mild	GRIN2B	60	53
O=C1O[C@@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CN1c1ccccc1	ZINC000852192683	GH	On-Demand	Anodyne	GRIN2B	34	47
O=C1O[C@H](CN2CCC(Cc3nc4ccccc4[nH]3)CC2)CN1c1ccccc1	ZINC000852192688	GH	On-Demand	Anodyne	GRIN2B	34	47
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1c(F)cccc1F	ZINC000852192698	FH	On-Demand	Anodyne	DRD4	15	47
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1c(F)cccc1F	ZINC000852192698	FH	On-Demand	Anodyne	GRIN2B	38	48
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1c(F)cccc1F	ZINC000852192704	FH	On-Demand	Anodyne	DRD4	15	47
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1c(F)cccc1F	ZINC000852192704	FH	On-Demand	Anodyne	GRIN2B	38	48
CCOC(=O)CN(Cc1ccccc1O)Cc1ccc(F)cc1[N+](=O)[O-]	ZINC000852192705	FG	On-Demand	Clean	COLA	106	41
O=C(NC1CCN(Cc2cc3ccccc3nc2Cl)CC1)N1CCOCC1	ZINC000852192711	GF	On-Demand	Anodyne	DRD4	23	46
O=C(NC1CCN(Cc2cc3ccccc3nc2Cl)CC1)N1CCOCC1	ZINC000852192711	GF	On-Demand	Anodyne	SIGMAR1	21	47
O=C(NC1CCN(Cc2cc3ccccc3nc2Cl)CC1)N1CCOCC1	ZINC000852192711	GF	On-Demand	Anodyne	SSTR5	64	37
O=C(NC1CCN(Cc2cc3ccccc3nc2Cl)CC1)N1CCOCC1	ZINC000852192711	GF	On-Demand	Anodyne	CCR3	28	44
O=C(NC1CCN(Cc2cc3ccccc3nc2Cl)CC1)N1CCOCC1	ZINC000852192711	GF	On-Demand	Anodyne	MCHR1	44	46
O=C(NC1CCN(Cc2cc3ccccc3nc2Cl)CC1)N1CCOCC1	ZINC000852192711	GF	On-Demand	Anodyne	SMO	38	40
O=C(NC1CCN(C[C@H](O)c2c(F)cccc2F)CC1)N1CCOCC1	ZINC000852192714	FD	On-Demand	Anodyne	ITGAL	40	32
O=C(NC1CCN(C[C@@H](O)c2c(F)cccc2F)CC1)N1CCOCC1	ZINC000852192716	FD	On-Demand	Anodyne	ITGAL	40	32
CC(C)c1ccc(NC(=O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192747	GE	On-Demand	Anodyne	EPHX2	38	51
CCOC(=O)CN(CCC1CCC1)Cc1ccccc1O	ZINC000852192809	CF	On-Demand	Clean	AMY2	55	33
CCN1CC[C@@H](N(C)C[C@@](C)(O)c2ccccc2)C1=O	ZINC000852192811	CD	On-Demand	Anodyne	AMY2	57	33
CCN1CC[C@@H](N(C)C[C@@](C)(O)c2ccccc2)C1=O	ZINC000852192811	CD	On-Demand	Anodyne	CYP2J2	40	34
CCN1CC[C@H](N(C)C[C@@](C)(O)c2ccccc2)C1=O	ZINC000852192812	CD	On-Demand	Anodyne	AMY2	57	33
CCN1CC[C@H](N(C)C[C@@](C)(O)c2ccccc2)C1=O	ZINC000852192812	CD	On-Demand	Anodyne	CYP2J2	40	34
CCN1CC[C@H](N(C)C[C@](C)(O)c2ccccc2)C1=O	ZINC000852192813	CD	On-Demand	Anodyne	AMY2	57	33
CCN1CC[C@H](N(C)C[C@](C)(O)c2ccccc2)C1=O	ZINC000852192813	CD	On-Demand	Anodyne	CYP2J2	40	34
CCN1CC[C@@H](N(C)C[C@](C)(O)c2ccccc2)C1=O	ZINC000852192814	CD	On-Demand	Anodyne	AMY2	57	33
CCN1CC[C@@H](N(C)C[C@](C)(O)c2ccccc2)C1=O	ZINC000852192814	CD	On-Demand	Anodyne	CYP2J2	40	34
CN1C(=O)NCC12CCN([C@@H](C#N)c1ccccc1)CC2	ZINC000852192833	CD	On-Demand	Mild	PTAFR	34	41
CN1C(=O)NCC12CCN([C@H](C#N)c1ccccc1)CC2	ZINC000852192834	CD	On-Demand	Mild	PTAFR	34	41
N#Cc1ccc(OCCCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192838	FD	On-Demand	Mild	HRH2	17	48
N#Cc1ccc(OCCCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192838	FD	On-Demand	Mild	LTA4H	19	43
N#Cc1ccc(OCCCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192838	FD	On-Demand	Mild	HRH3	76	59
N#Cc1ccc(OCCCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192838	FD	On-Demand	Mild	SIGMAR1	19	46
N#Cc1ccc(OCCCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192838	FD	On-Demand	Mild	EPHX2	27	56
N#Cc1ccc(OCCCN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852192838	FD	On-Demand	Mild	MEN1	58	48
NC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852192860	GC	On-Demand	Anodyne	CCR8	41	37
O=C(NC1CCN(Cc2ncc[nH]2)CC1)N1CCOCC1	ZINC000852192869	CC	On-Demand	Anodyne	MCHR1	16	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NC2CCC(C)(O)CC2)C1	ZINC000852192886	EF	On-Demand	Anodyne	EPHX2	38	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NC2CCC(C)(O)CC2)C1	ZINC000852192886	EF	On-Demand	Anodyne	MCHR1	15	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NC2CCC(C)(O)CC2)C1	ZINC000852192886	EF	On-Demand	Anodyne	SFRP1	42	34
CN(c1ccccc1)[C@@H]1CCN(C(=O)NC2CCC(C)(O)CC2)C1	ZINC000852192888	EF	On-Demand	Anodyne	EPHX2	38	42
CN(c1ccccc1)[C@@H]1CCN(C(=O)NC2CCC(C)(O)CC2)C1	ZINC000852192888	EF	On-Demand	Anodyne	MCHR1	15	43
CN(c1ccccc1)[C@@H]1CCN(C(=O)NC2CCC(C)(O)CC2)C1	ZINC000852192888	EF	On-Demand	Anodyne	SFRP1	42	34
CCOP(=O)(OCC)[C@@H](O)CN(C)C[C@](C)(O)c1ccccc1	ZINC000852192914	EE	On-Demand	Anodyne	AMY2	55	33
CCOP(=O)(OCC)[C@H](O)CN(C)C[C@](C)(O)c1ccccc1	ZINC000852192917	EE	On-Demand	Anodyne	AMY2	55	33
CCOP(=O)(OCC)[C@@H](O)CN(C)C[C@@](C)(O)c1ccccc1	ZINC000852192920	EE	On-Demand	Anodyne	AMY2	55	33
CCOP(=O)(OCC)[C@H](O)CN(C)C[C@@](C)(O)c1ccccc1	ZINC000852192923	EE	On-Demand	Anodyne	AMY2	55	33
O=C(NC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852192997	GD	On-Demand	Anodyne	ADRB1	22	48
O=C(NC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852192997	GD	On-Demand	Anodyne	ADRB3	15	43
O=C(NC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852192997	GD	On-Demand	Anodyne	ACOX1	60	33
O=C(NC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852192997	GD	On-Demand	Anodyne	CCR1	54	46
O=C(NC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852192997	GD	On-Demand	Anodyne	EBP	18	47
O=C(NC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852192997	GD	On-Demand	Anodyne	ABCB1	47	39
O=C(NC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852192997	GD	On-Demand	Anodyne	EPHX2	19	42
O=C(NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852193000	GD	On-Demand	Anodyne	ADRB1	22	48
O=C(NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852193000	GD	On-Demand	Anodyne	ADRB3	15	43
O=C(NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852193000	GD	On-Demand	Anodyne	ACOX1	60	33
O=C(NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852193000	GD	On-Demand	Anodyne	CCR1	54	46
O=C(NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852193000	GD	On-Demand	Anodyne	EBP	18	47
O=C(NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852193000	GD	On-Demand	Anodyne	ABCB1	47	39
O=C(NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000852193000	GD	On-Demand	Anodyne	EPHX2	19	42
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852193032	FD	On-Demand	Anodyne	SOAT1	34	40
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852193035	FD	On-Demand	Anodyne	SOAT1	34	40
CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852193039	FD	On-Demand	Anodyne	SOAT1	34	40
CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852193042	FD	On-Demand	Anodyne	SOAT1	34	40
N#CCOc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852193053	FH	On-Demand	Mild	DRD4	26	48
N#CCOc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852193053	FH	On-Demand	Mild	GRIN2B	33	51
N#CCOc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852193053	FH	On-Demand	Mild	LTA4H	36	40
N#CCOc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852193053	FH	On-Demand	Mild	HRH3	18	41
N#CCOc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852193053	FH	On-Demand	Mild	SIGMAR1	33	46
N#CCOc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1	ZINC000852193053	FH	On-Demand	Mild	CHEK2	34	43
Cc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852193113	IK	On-Demand	Anodyne	MAOB	26	42
Cc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1	ZINC000852193114	IK	On-Demand	Anodyne	MAOB	26	42
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cc(F)ccc1F	ZINC000852193151	FH	On-Demand	Anodyne	DRD4	15	44
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cc(F)ccc1F	ZINC000852193151	FH	On-Demand	Anodyne	GRIN2B	41	48
O[C@@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cc(F)ccc1F	ZINC000852193151	FH	On-Demand	Anodyne	CCR3	17	48
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cc(F)ccc1F	ZINC000852193152	FH	On-Demand	Anodyne	DRD4	15	44
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cc(F)ccc1F	ZINC000852193152	FH	On-Demand	Anodyne	GRIN2B	41	48
O[C@H](CN1CCC(Cc2nc3ccccc3[nH]2)CC1)c1cc(F)ccc1F	ZINC000852193152	FH	On-Demand	Anodyne	CCR3	17	48
O=C1OCCN1CCCN1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000852193156	EF	On-Demand	Anodyne	GRIN2B	36	50
CC(C)(C)OC(=O)N1Cc2cnn(C3CCN(CCCC4CCC4)CC3)c2C1	ZINC000852193186	GI	On-Demand	Anodyne	GPR119	35	40
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852193233	FD	On-Demand	Anodyne	DRD4	22	45
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852193233	FD	On-Demand	Anodyne	SIGMAR1	25	45
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852193233	FD	On-Demand	Anodyne	CYSP_TRYCR	21	40
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852193233	FD	On-Demand	Anodyne	CTSK	15	43
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852193233	FD	On-Demand	Anodyne	CTSL	23	43
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852193233	FD	On-Demand	Anodyne	CCR3	21	43
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852193233	FD	On-Demand	Anodyne	CTSS	26	42
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)OCc1ccccc1	ZINC000852193233	FD	On-Demand	Anodyne	EPHX2	38	40
Cn1cc([C@@H]2CN([C@H](C#N)c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cn1	ZINC000852193236	GF	On-Demand	Mild	PTAFR	28	41
Cn1cc([C@@H]2CN([C@@H](C#N)c3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cn1	ZINC000852193244	GF	On-Demand	Mild	PTAFR	28	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CC(=O)N(C2CC2)C1	ZINC000852193250	FE	On-Demand	Anodyne	TACR2	40	34
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CC(=O)N(C2CC2)C1	ZINC000852193252	FE	On-Demand	Anodyne	TACR2	40	34
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000852193254	FE	On-Demand	Anodyne	TACR2	40	34
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC(=O)N(C2CC2)C1	ZINC000852193255	FE	On-Demand	Anodyne	TACR2	40	34
CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1	ZINC000852193270	DG	On-Demand	Bother	COLA	108	38
CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1	ZINC000852193272	DG	On-Demand	Bother	COLA	108	38
CCN1OC[C@H](N(C)C[C@@](C)(O)c2ccccc2)C1=O	ZINC000852193288	CC	On-Demand	Anodyne	AMY2	53	30
CCN1OC[C@@H](N(C)C[C@](C)(O)c2ccccc2)C1=O	ZINC000852193290	CC	On-Demand	Anodyne	AMY2	53	30
CCN1OC[C@@H](N(C)C[C@@](C)(O)c2ccccc2)C1=O	ZINC000852193292	CC	On-Demand	Anodyne	AMY2	53	30
CCN1OC[C@H](N(C)C[C@](C)(O)c2ccccc2)C1=O	ZINC000852193295	CC	On-Demand	Anodyne	AMY2	53	30
O=C(NC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000852193296	FD	On-Demand	Anodyne	DRD4	15	40
O=C(NC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000852193296	FD	On-Demand	Anodyne	EPHX2	19	44
O=C(NC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000852193296	FD	On-Demand	Anodyne	CYP3A4	46	39
O=C(NC1CCN(C[C@H](O)c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000852193296	FD	On-Demand	Anodyne	MCHR1	20	41
O=C(NC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000852193297	FD	On-Demand	Anodyne	DRD4	15	40
O=C(NC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000852193297	FD	On-Demand	Anodyne	EPHX2	19	44
O=C(NC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000852193297	FD	On-Demand	Anodyne	CYP3A4	46	39
O=C(NC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000852193297	FD	On-Demand	Anodyne	MCHR1	20	41
CN1CCC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1=O	ZINC000852193306	ED	On-Demand	Anodyne	ACE	18	41
CN1CCC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1=O	ZINC000852193308	ED	On-Demand	Anodyne	ACE	18	41
CCO[C@@H]1C[C@@H](NC(=O)NC2CCC(C)(O)CC2)C1	ZINC000852193321	CD	On-Demand	Anodyne	EPHX2	32	46
CCCCCCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193328	DE	On-Demand	Mild	HTR4	31	43
CCCCCCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193328	DE	On-Demand	Mild	PAOX	17	40
CCCCCCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193328	DE	On-Demand	Mild	LASR	46	34
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	DRD4	26	43
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	SIGMAR1	19	43
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	SSTR5	53	38
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	CCR3	20	42
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	TACR3	20	43
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	PTGDS	40	33
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	MCHR1	38	42
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	SMO	31	41
Cc1nc(CN2CCC(NC(=O)N3CCOCC3)CC2)nc2ccccc12	ZINC000852193329	FD	On-Demand	Anodyne	TNKS	46	32
O=C(NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000852193336	GD	On-Demand	Bother	HRH2	18	40
O=C(NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000852193336	GD	On-Demand	Bother	LTA4H	19	46
O=C(NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000852193336	GD	On-Demand	Bother	HRH3	60	54
O=C(NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000852193336	GD	On-Demand	Bother	SIGMAR1	16	45
O=C(NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000852193336	GD	On-Demand	Bother	EPHX2	24	54
O=C(NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	ZINC000852193336	GD	On-Demand	Bother	MEN1	44	34
CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1O	ZINC000852193351	GE	On-Demand	Clean	PDK1	46	33
CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)N3CCOCC3)CC2)c1O	ZINC000852193351	GE	On-Demand	Clean	MCHR1	24	42
O=C(NC1CCN(C[C@H](O)c2ccccc2F)CC1)N1CCOCC1	ZINC000852193352	FD	On-Demand	Anodyne	ITGAL	58	34
O=C(NC1CCN(C[C@H](O)c2ccccc2F)CC1)N1CCOCC1	ZINC000852193352	FD	On-Demand	Anodyne	SIGMAR1	15	42
O=C(NC1CCN(C[C@H](O)c2ccccc2F)CC1)N1CCOCC1	ZINC000852193352	FD	On-Demand	Anodyne	CCR3	21	41
O=C(NC1CCN(C[C@H](O)c2ccccc2F)CC1)N1CCOCC1	ZINC000852193352	FD	On-Demand	Anodyne	EPHX2	17	40
O=C(NC1CCN(C[C@@H](O)c2ccccc2F)CC1)N1CCOCC1	ZINC000852193353	FD	On-Demand	Anodyne	ITGAL	58	34
O=C(NC1CCN(C[C@@H](O)c2ccccc2F)CC1)N1CCOCC1	ZINC000852193353	FD	On-Demand	Anodyne	SIGMAR1	15	42
O=C(NC1CCN(C[C@@H](O)c2ccccc2F)CC1)N1CCOCC1	ZINC000852193353	FD	On-Demand	Anodyne	CCR3	21	41
O=C(NC1CCN(C[C@@H](O)c2ccccc2F)CC1)N1CCOCC1	ZINC000852193353	FD	On-Demand	Anodyne	EPHX2	17	40
O=C(NC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)N1CCOCC1	ZINC000852193360	FE	On-Demand	Anodyne	DRD4	25	43
O=C(NC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)N1CCOCC1	ZINC000852193360	FE	On-Demand	Anodyne	SIGMAR1	22	48
O=C(NC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)N1CCOCC1	ZINC000852193360	FE	On-Demand	Anodyne	SSTR5	63	40
O=C(NC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)N1CCOCC1	ZINC000852193360	FE	On-Demand	Anodyne	CCR3	33	47
O=C(NC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)N1CCOCC1	ZINC000852193360	FE	On-Demand	Anodyne	PDK1	50	37
O=C(NC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)N1CCOCC1	ZINC000852193360	FE	On-Demand	Anodyne	MCHR1	48	44
O=C(NC1CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1)N1CCOCC1	ZINC000852193391	GD	On-Demand	Anodyne	CCR3	29	43
O=C(NC1CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1)N1CCOCC1	ZINC000852193391	GD	On-Demand	Anodyne	MCHR1	27	41
O=C(NC1CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1)N1CCOCC1	ZINC000852193391	GD	On-Demand	Anodyne	HPGDS	21	41
N#Cc1cc(F)ccc1CN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193396	ED	On-Demand	Mild	SIGMAR1	18	45
N#Cc1cc(F)ccc1CN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193396	ED	On-Demand	Mild	CCR3	45	46
N#Cc1cc(F)ccc1CN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193396	ED	On-Demand	Mild	MCHR1	33	42
O=C(NC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1)N1CCOCC1	ZINC000852193417	GD	On-Demand	Bother	SSTR5	27	46
O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCOCC1	ZINC000852193422	ED	On-Demand	Anodyne	DRD4	25	51
O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCOCC1	ZINC000852193422	ED	On-Demand	Anodyne	GRIN2B	23	47
O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCOCC1	ZINC000852193422	ED	On-Demand	Anodyne	SIGMAR1	15	40
O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCOCC1	ZINC000852193422	ED	On-Demand	Anodyne	CCR3	17	41
O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCOCC1	ZINC000852193422	ED	On-Demand	Anodyne	PDK1	17	40
O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCOCC1	ZINC000852193422	ED	On-Demand	Anodyne	MCHR1	23	46
C[C@@H](CNC(=O)NC1CCC(C)(O)CC1)C1CCCCC1	ZINC000852193427	CG	On-Demand	Anodyne	EPHX2	15	43
Cc1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852193434	FI	On-Demand	Mild	KCNK3	92	47
Cc1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852193434	FI	On-Demand	Mild	KCNK9	78	38
Cc1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852193435	FI	On-Demand	Mild	KCNK3	92	47
Cc1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2C(F)(F)F)c1	ZINC000852193435	FI	On-Demand	Mild	KCNK9	78	38
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(CCN2CCOCC2)C1	ZINC000852193448	FC	On-Demand	Reactive	EPHX2	21	40
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(CCN2CCOCC2)C1	ZINC000852193449	FC	On-Demand	Reactive	EPHX2	21	40
Cc1ccc(OC[C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193451	GD	On-Demand	Anodyne	ADRB2	19	48
Cc1ccc(OC[C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193451	GD	On-Demand	Anodyne	ADRB1	28	48
Cc1ccc(OC[C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193451	GD	On-Demand	Anodyne	ADRB3	15	43
Cc1ccc(OC[C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193451	GD	On-Demand	Anodyne	ACOX1	81	38
Cc1ccc(OC[C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193451	GD	On-Demand	Anodyne	CCR1	42	39
Cc1ccc(OC[C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193451	GD	On-Demand	Anodyne	ABCB1	64	42
Cc1ccc(OC[C@@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193452	GD	On-Demand	Anodyne	ADRB2	19	48
Cc1ccc(OC[C@@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193452	GD	On-Demand	Anodyne	ADRB1	28	48
Cc1ccc(OC[C@@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193452	GD	On-Demand	Anodyne	ADRB3	15	43
Cc1ccc(OC[C@@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193452	GD	On-Demand	Anodyne	ACOX1	81	38
Cc1ccc(OC[C@@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193452	GD	On-Demand	Anodyne	CCR1	42	39
Cc1ccc(OC[C@@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1	ZINC000852193452	GD	On-Demand	Anodyne	ABCB1	64	42
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1ccc(O)cc1	ZINC000852193456	FC	On-Demand	Anodyne	EPHX2	39	46
COCCS(=O)(=O)CCCN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193459	GB	On-Demand	Anodyne	HTR4	22	40
Cn1cc(CCNC(=O)NC2CCC(C)(O)CC2)c2ccccc21	ZINC000852193477	EF	On-Demand	Anodyne	MTNR1A	17	40
Cn1cc(CCNC(=O)NC2CCC(C)(O)CC2)c2ccccc21	ZINC000852193477	EF	On-Demand	Anodyne	MTNR1B	15	40
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	ACE	53	37
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	DRD4	20	40
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	CTSD	17	40
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	SIGMAR1	21	45
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	CTSK	15	45
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	CTSL	17	45
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	CCR5	23	46
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	REN	17	40
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	CTSS	33	50
C[C@@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193487	EF	On-Demand	Anodyne	BIRC2	48	43
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	ACE	53	37
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	DRD4	20	40
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	CTSD	17	40
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	SIGMAR1	21	45
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	CTSK	15	45
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	CTSL	17	45
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	CCR5	23	46
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	REN	17	40
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	CTSS	33	50
C[C@H](CCc1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193488	EF	On-Demand	Anodyne	BIRC2	48	43
C[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852193498	ED	On-Demand	Anodyne	CHRM2	18	43
C[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852193498	ED	On-Demand	Anodyne	CHRM1	23	43
C[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852193498	ED	On-Demand	Anodyne	CHRM3	32	43
C[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852193498	ED	On-Demand	Anodyne	SIGMAR1	17	42
C[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852193498	ED	On-Demand	Anodyne	CYP2J2	50	38
C[C@@](O)(CN1CCC(NC(=O)N2CCOCC2)CC1)c1ccccc1	ZINC000852193498	ED	On-Demand	Anodyne	HPGDS	32	41
O=C(NC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCOCC1	ZINC000852193508	FD	On-Demand	Bother	SIGMAR1	17	45
O=C(NC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCOCC1	ZINC000852193508	FD	On-Demand	Bother	CCR3	37	46
O=C(NC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCOCC1	ZINC000852193508	FD	On-Demand	Bother	MCHR1	25	41
Cc1cnc(CN2CCC(NC(=O)N3CCOCC3)CC2)cn1	ZINC000852193518	DC	On-Demand	Anodyne	SSTR5	41	37
COC(=O)c1ccc(CNC(=O)NC2CCC(C)(O)CC2)c(F)c1	ZINC000852193558	EE	On-Demand	Anodyne	BDKRB1	27	45
COC(=O)c1ccc(CNC(=O)NC2CCC(C)(O)CC2)c(F)c1	ZINC000852193558	EE	On-Demand	Anodyne	EPHX2	20	40
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)NNC(=O)c1ccccc1	ZINC000852193587	GB	On-Demand	Reactive	DRD4	29	47
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)NNC(=O)c1ccccc1	ZINC000852193587	GB	On-Demand	Reactive	SIGMAR1	17	43
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)NNC(=O)c1ccccc1	ZINC000852193587	GB	On-Demand	Reactive	MCHR1	17	43
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852193640	GE	On-Demand	Anodyne	ADRB2	31	40
CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852193641	GE	On-Demand	Anodyne	ADRB2	31	40
CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852193642	GE	On-Demand	Anodyne	ADRB2	31	40
CCS(=O)(=O)C[C@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852193643	GE	On-Demand	Anodyne	ADRB2	31	40
O=C(NC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1)N1CCOCC1	ZINC000852193649	FD	On-Demand	Anodyne	CCR3	36	43
O=C(NC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1)N1CCOCC1	ZINC000852193650	FD	On-Demand	Anodyne	CCR3	36	43
O=C(NC1CCN(Cc2cnn(-c3ccccc3)n2)CC1)N1CCOCC1	ZINC000852193664	FD	On-Demand	Anodyne	DRD4	17	40
O=C(NC1CCN(Cc2cnn(-c3ccccc3)n2)CC1)N1CCOCC1	ZINC000852193664	FD	On-Demand	Anodyne	SIGMAR1	17	41
CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852193667	GF	On-Demand	Anodyne	FPR1	40	33
CCS(=O)(=O)C[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852193668	GF	On-Demand	Anodyne	FPR1	40	33
O=C(NC1CCN(C[C@H](O)c2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193669	FD	On-Demand	Anodyne	ITGAL	40	33
O=C(NC1CCN(C[C@H](O)c2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193669	FD	On-Demand	Anodyne	CCR3	35	43
O=C(NC1CCN(C[C@H](O)c2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193669	FD	On-Demand	Anodyne	EPHX2	15	44
O=C(NC1CCN(C[C@@H](O)c2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193670	FD	On-Demand	Anodyne	ITGAL	40	33
O=C(NC1CCN(C[C@@H](O)c2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193670	FD	On-Demand	Anodyne	CCR3	35	43
O=C(NC1CCN(C[C@@H](O)c2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193670	FD	On-Demand	Anodyne	EPHX2	15	44
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1cccnc1Cl	ZINC000852193677	GD	On-Demand	Anodyne	DRD4	15	43
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1cccnc1Cl	ZINC000852193677	GD	On-Demand	Anodyne	G2YM83_BOTF4	63	32
O=C(NC1CCN(C[C@H](O)c2cc(F)ccc2F)CC1)N1CCOCC1	ZINC000852193680	FD	On-Demand	Anodyne	CCR3	35	43
O=C(NC1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1)N1CCOCC1	ZINC000852193681	FD	On-Demand	Anodyne	CCR3	35	43
C[C@H](CS(C)(=O)=O)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852193693	GE	On-Demand	Anodyne	ROCK2	15	40
C=CCOCCCNC(=O)NC1CCC(C)(O)CC1	ZINC000852193701	CD	On-Demand	Mild	EPHX2	17	49
O=C(NC1CCN(Cc2cnc(Cl)s2)CC1)N1CCOCC1	ZINC000852193702	ED	On-Demand	Anodyne	MGEA5	33	40
O=C(NC1CCN(Cc2ccnc(Cl)c2)CC1)N1CCOCC1	ZINC000852193711	ED	On-Demand	Anodyne	DRD4	25	44
O=C(NC1CCN(Cc2ccnc(Cl)c2)CC1)N1CCOCC1	ZINC000852193711	ED	On-Demand	Anodyne	KCNH2	15	40
O=C(NC1CCN(Cc2ccnc(Cl)c2)CC1)N1CCOCC1	ZINC000852193711	ED	On-Demand	Anodyne	HRH3	17	40
O=C(NC1CCN(Cc2ccnc(Cl)c2)CC1)N1CCOCC1	ZINC000852193711	ED	On-Demand	Anodyne	SIGMAR1	23	49
O=C(NC1CCN(Cc2ccnc(Cl)c2)CC1)N1CCOCC1	ZINC000852193711	ED	On-Demand	Anodyne	SSTR5	79	42
O=C(NC1CCN(Cc2ccnc(Cl)c2)CC1)N1CCOCC1	ZINC000852193711	ED	On-Demand	Anodyne	CCR3	38	46
O=C(NC1CCN(Cc2ccnc(Cl)c2)CC1)N1CCOCC1	ZINC000852193711	ED	On-Demand	Anodyne	MCHR1	54	46
N#CCOc1ccc(Cl)cc1CN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193712	GE	On-Demand	Mild	PTGER1	31	40
N#CCOc1ccc(Cl)cc1CN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193712	GE	On-Demand	Mild	EPHX2	15	41
N#CCOc1ccc(Cl)cc1CN1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193712	GE	On-Demand	Mild	MCHR1	35	40
O=C(NC1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCOCC1	ZINC000852193713	GG	On-Demand	Anodyne	OPRL1	21	41
O=C(NC1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCOCC1	ZINC000852193713	GG	On-Demand	Anodyne	ITGAL	40	33
O=C(NC1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCOCC1	ZINC000852193713	GG	On-Demand	Anodyne	CTSS	25	43
O=C(NC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCOCC1	ZINC000852193721	GE	On-Demand	Bother	SIGMAR1	18	51
O=C(NC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCOCC1	ZINC000852193721	GE	On-Demand	Bother	MCHR1	23	45
O=C(NC1CCN(Cc2cccc(Cl)n2)CC1)N1CCOCC1	ZINC000852193728	ED	On-Demand	Anodyne	DRD4	21	42
O=C(NC1CCN(Cc2cccc(Cl)n2)CC1)N1CCOCC1	ZINC000852193728	ED	On-Demand	Anodyne	SIGMAR1	17	43
O=C(NC1CCN(Cc2cccc(Cl)n2)CC1)N1CCOCC1	ZINC000852193728	ED	On-Demand	Anodyne	CCR3	17	43
O=C(NC1CCN(Cc2cccc(Cl)n2)CC1)N1CCOCC1	ZINC000852193728	ED	On-Demand	Anodyne	MCHR1	36	43
O=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)N1CCOCC1	ZINC000852193780	FE	On-Demand	Anodyne	DRD4	20	48
O=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)N1CCOCC1	ZINC000852193780	FE	On-Demand	Anodyne	SIGMAR1	18	44
O=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)N1CCOCC1	ZINC000852193780	FE	On-Demand	Anodyne	SSTR5	41	36
O=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)N1CCOCC1	ZINC000852193780	FE	On-Demand	Anodyne	CCR3	27	45
O=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)N1CCOCC1	ZINC000852193780	FE	On-Demand	Anodyne	MCHR1	39	60
O=C(NC1CCN(Cc2ccc3ccccc3n2)CC1)N1CCOCC1	ZINC000852193780	FE	On-Demand	Anodyne	SMO	47	48
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852193790	GE	On-Demand	Anodyne	DRD4	29	44
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852193790	GE	On-Demand	Anodyne	SIGMAR1	15	46
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852193790	GE	On-Demand	Anodyne	CCR3	32	43
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852193790	GE	On-Demand	Anodyne	NPY5R	17	43
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852193790	GE	On-Demand	Anodyne	EPHX2	45	51
O=C(CN1CCC(NC(=O)N2CCOCC2)CC1)Nc1ccc2ccccc2c1	ZINC000852193790	GE	On-Demand	Anodyne	MCHR1	30	43
CN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852193799	GE	On-Demand	Anodyne	NPY1R	36	40
CN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852193799	GE	On-Demand	Anodyne	CCKAR	40	47
CN1CCC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852193799	GE	On-Demand	Anodyne	CCKBR	42	47
O=C(NC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCOCC1	ZINC000852193803	GE	On-Demand	Bother	SIGMAR1	17	49
O=C(NC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCOCC1	ZINC000852193803	GE	On-Demand	Bother	EPHX2	16	45
O=C(NC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCOCC1	ZINC000852193803	GE	On-Demand	Bother	MCHR1	32	43
O=C(NC1CCN(C[C@H](O)c2ccc(F)cc2)CC1)N1CCOCC1	ZINC000852193805	FD	On-Demand	Anodyne	SIGMAR1	15	41
O=C(NC1CCN(C[C@H](O)c2ccc(F)cc2)CC1)N1CCOCC1	ZINC000852193805	FD	On-Demand	Anodyne	CCR3	30	41
O=C(NC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1)N1CCOCC1	ZINC000852193806	FD	On-Demand	Anodyne	SIGMAR1	15	41
O=C(NC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1)N1CCOCC1	ZINC000852193806	FD	On-Demand	Anodyne	CCR3	30	41
C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193811	GG	On-Demand	Anodyne	ITGAL	43	37
C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193811	GG	On-Demand	Anodyne	EPHX2	38	47
C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193811	GG	On-Demand	Anodyne	MCHR1	15	44
C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193812	GG	On-Demand	Anodyne	ITGAL	43	37
C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193812	GG	On-Demand	Anodyne	EPHX2	38	47
C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)N2CCOCC2)CC1	ZINC000852193812	GG	On-Demand	Anodyne	MCHR1	15	44
COc1cccc([C@]2(C)CCN(C(=O)NC3CCC(C)(O)CC3)C2)c1	ZINC000852193820	EG	On-Demand	Anodyne	EPHX2	17	40
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	ESR1	59	37
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	DRD2	21	61
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	HTR2A	28	42
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	AVPR1B	23	42
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	LTA4H	30	45
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	HTR7	23	55
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	HRH3	37	42
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	SIGMAR1	26	43
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	CCR3	48	45
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	EPHX2	40	52
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	CHRNA10	36	40
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	MCHR1	30	41
O=C(NC1CCN(CCOc2cccc(F)c2)CC1)N1CCOCC1	ZINC000852193824	FD	On-Demand	Anodyne	HPGDS	30	40
O=C(NC1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1)N1CCOCC1	ZINC000852193835	GD	On-Demand	Anodyne	KCNH2	16	51
O=C(NC1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1)N1CCOCC1	ZINC000852193835	GD	On-Demand	Anodyne	HSD17B3	33	46
O=C(NC1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1)N1CCOCC1	ZINC000852193835	GD	On-Demand	Anodyne	MCHR1	29	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C(C)C)C2)cc1	ZINC000852193868	EE	On-Demand	Clean	MTNR1A	25	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C(C)C)C2)cc1	ZINC000852193868	EE	On-Demand	Clean	MTNR1B	21	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C(C)C)C2)cc1	ZINC000852193869	EE	On-Demand	Clean	MTNR1A	25	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C(C)C)C2)cc1	ZINC000852193869	EE	On-Demand	Clean	MTNR1B	21	47
Cc1noc(C)c1CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852193870	GF	On-Demand	Anodyne	ACHE	24	43
Cc1noc(C)c1CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852193870	GF	On-Demand	Anodyne	SSTR5	43	34
Cc1noc(C)c1CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852193870	GF	On-Demand	Anodyne	CACNA1I	58	41
CC[C@@H](NC(=O)NNc1ccc(Cl)cn1)C(=O)N1CCOCC1	ZINC000852193877	EC	On-Demand	Reactive	F10	35	46
CC[C@@H](NC(=O)NNc1ccc(Cl)cn1)C(=O)N1CCOCC1	ZINC000852193877	EC	On-Demand	Reactive	CCR1	22	41
CCCN(CC)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852193922	EE	On-Demand	Clean	MTNR1A	18	51
CCCN(CC)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852193923	EE	On-Demand	Clean	MTNR1A	18	51
Cc1noc(C)c1CCCNC(=O)NCc1cnccc1C(F)(F)F	ZINC000852193937	FG	On-Demand	Anodyne	P2RX7	15	49
Cc1noc(C)c1CCCNC(=O)NCCCC1CCC1	ZINC000852193975	CG	On-Demand	Anodyne	BMP1	41	35
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)N1CCOCC1	ZINC000852193993	GD	On-Demand	Clean	P2RY12	58	36
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)N1CCOCC1	ZINC000852193993	GD	On-Demand	Clean	CTSS	16	41
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)N1CCOCC1	ZINC000852193993	GD	On-Demand	Clean	EPHX2	20	40
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)N1CCOCC1	ZINC000852193994	GD	On-Demand	Clean	P2RY12	58	36
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)N1CCOCC1	ZINC000852193994	GD	On-Demand	Clean	CTSS	16	41
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)N1CCOCC1	ZINC000852193994	GD	On-Demand	Clean	EPHX2	20	40
COc1cccc([C@]2(C)CCN(C(=O)NCCCc3c(C)noc3C)C2)c1	ZINC000852194082	FH	On-Demand	Anodyne	DRD4	40	32
CCCN(CC)CCNC(=O)NNc1ccc(Cl)cn1	ZINC000852194121	CE	On-Demand	Reactive	F10	30	41
CC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)C(=O)N1CCOCC1	ZINC000852194268	FB	On-Demand	Reactive	P2RY12	56	38
CC[C@@H](NC(=O)N1CCN(c2ccc(C)cc2C)CC1)C(=O)N1CCOCC1	ZINC000852194269	GD	On-Demand	Anodyne	MC4R	50	40
COc1ccc(N2CC[C@H](NC(=O)NCCCN(C(C)C)C(C)C)C2)cc1	ZINC000852194318	GG	On-Demand	Clean	BMP1	16	44
COc1ccc(N2CC[C@H](NC(=O)NCCCN(C(C)C)C(C)C)C2)cc1	ZINC000852194318	GG	On-Demand	Clean	MTNR1A	15	44
COC(=O)c1ccc(CNC(=O)NCCCc2c(C)noc2C)c(F)c1	ZINC000852194420	FF	On-Demand	Anodyne	P2RX7	25	53
Cc1noc(C)c1CCCNC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852194541	FF	On-Demand	Anodyne	P2RX7	15	50
Cc1noc(C)c1CCCNC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852194542	FF	On-Demand	Anodyne	P2RX7	15	50
Cc1noc(C)c1CCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852194599	GG	On-Demand	Anodyne	SSTR3	30	45
Cc1noc(C)c1CCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852194619	EF	On-Demand	Anodyne	CACNA1I	41	31
Cc1noc(C)c1CCCNC(=O)NCc1cc(F)ccc1OC(F)F	ZINC000852194744	FG	On-Demand	Anodyne	P2RX7	37	52
Cc1noc(C)c1CCCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852194845	FI	On-Demand	Anodyne	P2RX7	21	68
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CCCO3)C2)cc1	ZINC000852194866	EE	On-Demand	Clean	MTNR1A	19	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CCCO3)C2)cc1	ZINC000852194866	EE	On-Demand	Clean	MTNR1B	18	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CCCO3)C2)cc1	ZINC000852194868	EE	On-Demand	Clean	MTNR1A	19	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CCCO3)C2)cc1	ZINC000852194868	EE	On-Demand	Clean	MTNR1B	18	43
COc1ccc(N2CC[C@H](NC(=O)NCc3cn(-c4ccccc4)nn3)C2)cc1	ZINC000852194894	GE	On-Demand	Clean	FIMH	21	40
COc1ccc([C@@H]2CCCN2C(=O)NCc2cn(-c3ccccc3)nn2)cc1F	ZINC000852194948	GG	On-Demand	Anodyne	ACKR3	45	32
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cn(-c2ccccc2)nn1	ZINC000852194983	FG	On-Demand	Anodyne	P2RX7	32	45
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cn(-c2ccccc2)nn1	ZINC000852194984	FG	On-Demand	Anodyne	P2RX7	32	45
CC[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(=O)N1CCOCC1	ZINC000852195047	GD	On-Demand	Anodyne	TRY2_BOVIN	62	39
CC[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(=O)N1CCOCC1	ZINC000852195050	GD	On-Demand	Anodyne	TRY2_BOVIN	62	39
COc1ccc(-n2cc(CNC(=O)N[C@H]3COC4(CCC4)C3)nn2)cc1	ZINC000852195184	FD	On-Demand	Anodyne	FIMH	24	43
COc1ccc(-n2cc(CNC(=O)N[C@@H]3COC4(CCC4)C3)nn2)cc1	ZINC000852195186	FD	On-Demand	Anodyne	FIMH	24	43
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCCCc1c(C)noc1C	ZINC000852195248	EH	On-Demand	Anodyne	P2RX7	31	57
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCCCc1c(C)noc1C	ZINC000852195249	EH	On-Demand	Anodyne	P2RX7	31	57
CNC(=O)c1n[nH]c(C2CCN([C@@H]3CCCC[C@H]3O)CC2)n1	ZINC000852195291	DC	On-Demand	Anodyne	SLC18A3	38	44
O=C(NCc1cn(-c2ccccc2)nn1)N1CC2CC1(c1ccccc1)C2	ZINC000852195323	FG	On-Demand	Anodyne	AROQ	28	41
CNC(=O)c1n[nH]c(C2CCN(Cc3cccc(C(C)C)c3)CC2)n1	ZINC000852195348	EF	On-Demand	Anodyne	DRD4	27	40
COc1ccc(-n2cc(CNC(=O)NCC3SCCS3)nn2)cc1	ZINC000852195362	FD	On-Demand	Anodyne	FIMH	23	42
O=C(NCc1cn(-c2ccccc2)nn1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852195369	FE	On-Demand	Anodyne	EPHX2	15	44
O=C(NCc1cn(-c2ccccc2)nn1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852195371	FE	On-Demand	Anodyne	EPHX2	15	44
CNC(=O)c1n[nH]c(C2CCN(Cc3cccc(SC)c3)CC2)n1	ZINC000852195482	EE	On-Demand	Anodyne	SIGMAR1	19	40
Cc1cc(F)ccc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852195492	GG	On-Demand	Clean	CCR3	37	41
O=C(NCc1cn(-c2ccccc2)nn1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852195521	FE	On-Demand	Anodyne	CCR3	42	39
O=C(NCc1cn(-c2ccccc2)nn1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852195524	FE	On-Demand	Anodyne	CCR3	42	39
CCCCCC(C)(C)CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852195530	EG	On-Demand	Anodyne	EPHX2	17	44
CCCCCC(C)(C)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852195562	FH	On-Demand	Anodyne	CACNA1I	51	35
CNC(=O)c1n[nH]c(C2CCN(Cc3cccc(C(C)(C)C)c3)CC2)n1	ZINC000852195591	FF	On-Demand	Anodyne	SIGMAR1	19	42
CNC(=O)c1n[nH]c(C2CCN(Cc3cccc(C(C)(C)C)c3)CC2)n1	ZINC000852195591	FF	On-Demand	Anodyne	MCHR1	32	40
CNC(=O)c1n[nH]c(C2CCN(Cc3cccc(C(C)(C)C)c3)CC2)n1	ZINC000852195591	FF	On-Demand	Anodyne	CACNA1I	15	42
O[C@H]1C[C@]2(CCN([C@@H]3CCCC[C@H]3O)C2)Oc2ccccc21	ZINC000852195601	DE	On-Demand	Anodyne	SLC18A3	38	42
O[C@@H]1C[C@]2(CCN([C@@H]3CCCC[C@H]3O)C2)Oc2ccccc21	ZINC000852195603	DE	On-Demand	Anodyne	SLC18A3	38	42
O[C@H]1C[C@@]2(CCN([C@@H]3CCCC[C@H]3O)C2)Oc2ccccc21	ZINC000852195604	DE	On-Demand	Anodyne	SLC18A3	38	42
O[C@@H]1C[C@@]2(CCN([C@@H]3CCCC[C@H]3O)C2)Oc2ccccc21	ZINC000852195605	DE	On-Demand	Anodyne	SLC18A3	38	42
COc1ccc(-n2cc(CNC(=O)NCCC3SCCS3)nn2)cc1	ZINC000852195685	GE	On-Demand	Anodyne	FIMH	21	41
CNC(=O)c1n[nH]c(C2CCN(Cc3cccc(N)c3)CC2)n1	ZINC000852195814	DD	On-Demand	Anodyne	DRD2	15	40
CNC(=O)c1n[nH]c(C2CCN(Cc3cccc(N)c3)CC2)n1	ZINC000852195814	DD	On-Demand	Anodyne	DRD4	45	40
CNC(=O)c1n[nH]c(C2CCN(Cc3cccc(N)c3)CC2)n1	ZINC000852195814	DD	On-Demand	Anodyne	CHRM3	15	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)C2)cc1	ZINC000852195836	FE	On-Demand	Clean	NPBWR1	49	31
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)C2)cc1	ZINC000852195837	FE	On-Demand	Clean	NPBWR1	49	31
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1	ZINC000852195838	FE	On-Demand	Clean	NPBWR1	49	31
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1	ZINC000852195839	FE	On-Demand	Clean	NPBWR1	49	31
CNC(=O)c1n[nH]c(C2CCN(Cc3nsc4ccccc34)CC2)n1	ZINC000852195942	FE	On-Demand	Anodyne	DRD2	20	40
O[C@@H]1C[C@]2(CCN(CC[C@H]3CCc4ccccc43)C2)Oc2ccccc21	ZINC000852196000	EI	On-Demand	Anodyne	EBP	18	42
O[C@@H]1C[C@@]2(CCN(CC[C@H]3CCc4ccccc43)C2)Oc2ccccc21	ZINC000852196001	EI	On-Demand	Anodyne	EBP	18	42
O[C@@H]1C[C@@]2(CCN(CC[C@@H]3CCc4ccccc43)C2)Oc2ccccc21	ZINC000852196002	EI	On-Demand	Anodyne	EBP	18	42
O[C@@H]1C[C@]2(CCN(CC[C@@H]3CCc4ccccc43)C2)Oc2ccccc21	ZINC000852196003	EI	On-Demand	Anodyne	EBP	18	42
Cc1noc(C)c1CCCNC(=O)NCc1cccc(OC2CC2)c1F	ZINC000852196019	FG	On-Demand	Anodyne	P2RX7	17	48
CCCCCC(C)(C)CNC(=O)N1CCC(c2ccon2)CC1	ZINC000852196046	DI	On-Demand	Anodyne	SMO	29	40
CCCCCC(C)(C)CNC(=O)N1CCC(c2ccon2)CC1	ZINC000852196046	DI	On-Demand	Anodyne	ETHR	50	32
O=C(NCc1cn(-c2ccccc2)nn1)NCC1SCCS1	ZINC000852196055	ED	On-Demand	Anodyne	AROQ	26	40
CNC(=O)c1n[nH]c(C2CCN([C@@H](C#N)c3ccccc3)CC2)n1	ZINC000852196116	DD	On-Demand	Mild	PTAFR	36	41
CNC(=O)c1n[nH]c(C2CCN([C@H](C#N)c3ccccc3)CC2)n1	ZINC000852196117	DD	On-Demand	Mild	PTAFR	36	41
O=C(NCc1cn(-c2ccccc2)nn1)NCC1CCN(CC2CC2)CC1	ZINC000852196127	FE	On-Demand	Anodyne	CACNA1I	46	33
Cc1noc(C)c1CCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852196212	FF	On-Demand	Anodyne	P2RX7	15	44
Cc1noc(C)c1CCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852196212	FF	On-Demand	Anodyne	SCN10A	15	41
Cc1cc(F)ccc1CCNC(=O)NCc1ncccn1	ZINC000852196275	CD	On-Demand	Anodyne	P2RX7	44	42
CNC(=O)c1n[nH]c(C2CCN([C@@H]3CCC[C@H]3O)CC2)n1	ZINC000852196298	CC	On-Demand	Anodyne	SLC18A3	29	42
Cc1cc(F)ccc1CCNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852196308	GG	On-Demand	Anodyne	P2RX7	30	41
CN(C[C@@H]1CC1(C)C)C(=O)NCc1cn(-c2ccccc2)nn1	ZINC000852196337	DE	On-Demand	Anodyne	AROQ	27	40
CCO[C@@H]1C[C@@H](NC(=O)NCc2cn(-c3ccccc3)nn2)C1	ZINC000852196451	DD	On-Demand	Anodyne	EPHX2	20	40
CCCCCC(C)(C)CNC(=O)N[C@H]1CCNC1=O	ZINC000852196501	CD	On-Demand	Anodyne	LASR	45	32
O=C(NCc1cn(-c2ccccc2)nn1)NCc1cccnc1N1CCCC1	ZINC000852196518	GE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cn(-c2ccccc2)nn1)NCc1cccnc1N1CCCC1	ZINC000852196518	GE	On-Demand	Anodyne	SCN10A	19	43
C[C@H]1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CN1C1CC1	ZINC000852196594	GG	On-Demand	Anodyne	CCKAR	21	45
C[C@H]1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CN1C1CC1	ZINC000852196594	GG	On-Demand	Anodyne	CCKBR	23	45
C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1cccc(OC(F)(F)F)c1	ZINC000852196626	GF	On-Demand	Anodyne	WNT3	42	32
CC[C@@H](C)CCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852196661	FE	On-Demand	Anodyne	EPHX2	25	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(C)(C)CN(C)C)C2)cc1	ZINC000852196669	FF	On-Demand	Clean	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(C)(C)CN(C)C)C2)cc1	ZINC000852196669	FF	On-Demand	Clean	BIRC2	18	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(C)(C)CN(C)C)C2)cc1	ZINC000852196671	FF	On-Demand	Clean	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(C)(C)CN(C)C)C2)cc1	ZINC000852196671	FF	On-Demand	Clean	BIRC2	18	40
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1cccc(OC(F)(F)F)c1	ZINC000852196677	FG	On-Demand	Anodyne	MAPK1	54	43
COCCN(CCF)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	ZINC000852196682	EF	On-Demand	Anodyne	KCNQ2	49	41
C[C@@H](NC(=O)N(C)CC1CN(C)C1)c1cccc(OC(F)(F)F)c1	ZINC000852196761	EF	On-Demand	Anodyne	SLC6A9	19	40
O=C(NCc1ncccn1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852196774	FC	On-Demand	Anodyne	EPHX2	41	42
C[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1cccc(OC(F)(F)F)c1	ZINC000852196792	EG	On-Demand	Anodyne	TAAR1	24	41
Cc1noc(C)c1CCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852196899	FE	On-Demand	Anodyne	PYGL	31	43
Cc1noc(C)c1CCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852196899	FE	On-Demand	Anodyne	PYGM	27	43
O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000852196900	JF	On-Demand	Anodyne	NAMPT	19	43
Cc1noc(C)c1CCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852196901	FE	On-Demand	Anodyne	PYGL	31	43
Cc1noc(C)c1CCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852196901	FE	On-Demand	Anodyne	PYGM	27	43
O=C(NCCc1ccoc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852196906	FD	On-Demand	Anodyne	EPHX2	27	40
O=C(NCCc1ccoc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852196906	FD	On-Demand	Anodyne	TGM2	27	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1	ZINC000852196930	EE	On-Demand	Anodyne	KCNQ2	37	41
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cccc(N2CCCC2)c1	ZINC000852196932	EE	On-Demand	Anodyne	KCNQ2	37	41
Cc1noc(C)c1CCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852196952	FG	On-Demand	Anodyne	MTNR1A	38	43
Cc1noc(C)c1CCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852196952	FG	On-Demand	Anodyne	MTNR1B	32	43
CCO[C@@H]1C[C@@H](NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000852197002	FD	On-Demand	Anodyne	EPHX2	38	44
CCSC1(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1	ZINC000852197003	GD	On-Demand	Anodyne	EPHX2	29	43
Cc1noc(C)c1CCCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852197051	GI	On-Demand	Anodyne	KCNH2	40	38
C[C@@H](NC(=O)N1CCO[C@](C)(C(F)F)C1)c1cccc(OC(F)(F)F)c1	ZINC000852197116	GH	On-Demand	Anodyne	EPHX2	30	40
C[C@@H](NC(=O)N1CCO[C@@](C)(C(F)F)C1)c1cccc(OC(F)(F)F)c1	ZINC000852197120	GH	On-Demand	Anodyne	EPHX2	30	40
CC[C@@H](NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CC1	ZINC000852197127	FD	On-Demand	Anodyne	EPHX2	28	42
Cc1ccncc1CCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852197130	GD	On-Demand	Anodyne	EPHX2	32	41
Cc1noc(C)c1CCCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852197161	GI	On-Demand	Anodyne	P2RY14	41	40
C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cscn1	ZINC000852197172	GD	On-Demand	Anodyne	EPHX2	22	42
C[C@H](NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cscn1	ZINC000852197174	GD	On-Demand	Anodyne	EPHX2	22	42
C[C@H](NC(=O)NCCC1SCCS1)c1cccc(N2CCCC2)c1	ZINC000852197212	FH	On-Demand	Anodyne	KCNQ2	40	41
C[C@@H](NC(=O)NCCC1SCCS1)c1cccc(N2CCCC2)c1	ZINC000852197213	FH	On-Demand	Anodyne	KCNQ2	40	41
Cc1ccc([C@H](C)NC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1F	ZINC000852197410	EF	On-Demand	Anodyne	MAPK1	42	40
CCCCCOc1cc(C)ccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852197436	GH	On-Demand	Anodyne	EPHX2	24	40
CCCCCC(C)(C)CNC(=O)N[C@@H]1CCNC1=O	ZINC000852197444	CD	On-Demand	Anodyne	LASR	45	32
O=C(NCC1=CCCC1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852197488	FD	On-Demand	Anodyne	EPHX2	30	41
COC1CC(CCNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000852197495	GD	On-Demand	Anodyne	EPHX2	26	41
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cccc(N2CCCC2)c1	ZINC000852197531	FF	On-Demand	Anodyne	KCNQ2	21	42
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cccc(N2CCCC2)c1	ZINC000852197533	FF	On-Demand	Anodyne	KCNQ2	21	42
CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)NCc2ncccn2)cc1	ZINC000852197536	GE	On-Demand	Anodyne	ACACA	21	41
CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)NCc2ncccn2)cc1	ZINC000852197536	GE	On-Demand	Anodyne	ACACB	22	44
Cc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1F	ZINC000852197568	FE	On-Demand	Anodyne	TRPV1	65	36
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(N2CCCC2)c1	ZINC000852197597	GG	On-Demand	Anodyne	KCNQ2	21	41
COc1ccc(OC(F)F)c(CNC(=O)NCc2ncccn2)c1	ZINC000852197639	EE	On-Demand	Anodyne	MTNR1A	41	38
COc1ccc(OC(F)F)c(CNC(=O)NCc2ncccn2)c1	ZINC000852197639	EE	On-Demand	Anodyne	MTNR1B	33	41
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000852197646	GF	On-Demand	Anodyne	EPHX2	29	41
C[C@@H]1CC(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C[C@@H](C)C1	ZINC000852197647	GF	On-Demand	Anodyne	EPHX2	29	41
C[C@H]1CC(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C[C@H](C)C1	ZINC000852197648	GF	On-Demand	Anodyne	EPHX2	29	41
O=C(NCCC1CCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852197686	EH	On-Demand	Anodyne	ADRB3	15	43
O=C(NCCC1CCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852197687	EH	On-Demand	Anodyne	ADRB3	15	43
O=C(NCCC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852197691	EH	On-Demand	Anodyne	EPHX2	15	56
O=C(NCCC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852197691	EH	On-Demand	Anodyne	SCD1	26	42
O=C(NCCC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852197691	EH	On-Demand	Anodyne	SCD	29	42
O=C(NCCC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852197691	EH	On-Demand	Anodyne	TRPM8	31	56
O[C@@]1(Cc2nc(C3CC3)no2)CCCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852197707	FG	On-Demand	Anodyne	EBP	19	44
O[C@]1(Cc2nc(C3CC3)no2)CCCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852197708	FG	On-Demand	Anodyne	EBP	19	44
O[C@@]1(Cc2nc(C3CC3)no2)CCCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852197709	FG	On-Demand	Anodyne	EBP	19	44
O[C@]1(Cc2nc(C3CC3)no2)CCCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852197710	FG	On-Demand	Anodyne	EBP	19	44
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCCC2CCC2)O1	ZINC000852197753	FD	On-Demand	Reactive	DRD4	20	41
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCCC2CCC2)O1	ZINC000852197753	FD	On-Demand	Reactive	ACHE	36	49
COC[C@@]1(C(N)=O)CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852197770	DB	On-Demand	Anodyne	SLC12A5	66	39
COC[C@]1(C(N)=O)CCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852197774	DB	On-Demand	Anodyne	SLC12A5	66	39
COC[C@@]1(C(N)=O)CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852197776	DB	On-Demand	Anodyne	SLC12A5	66	39
COC[C@]1(C(N)=O)CCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852197778	DB	On-Demand	Anodyne	SLC12A5	66	39
CC(C)(C)C(F)(F)CNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852197781	GE	On-Demand	Anodyne	EPHX2	31	43
O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@@H]1C=CCC1	ZINC000852197790	ED	On-Demand	Anodyne	EPHX2	33	46
O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)N[C@H]1C=CCC1	ZINC000852197791	ED	On-Demand	Anodyne	EPHX2	33	46
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852197815	FE	On-Demand	Anodyne	EPHX2	30	43
Cc1ccc([C@H](C)NC(=O)N2CCn3ncc(Br)c3C2)cc1F	ZINC000852197817	GG	On-Demand	Anodyne	MAPK1	39	41
O=C(NCCCC1CCC1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852197822	FE	On-Demand	Anodyne	EPHX2	23	41
NS(=O)(=O)c1cc(CNC(=O)NCCC2CCC2)ccc1F	ZINC000852197845	ED	On-Demand	Anodyne	TRPV1	23	46
COC(=O)c1ccc(CNC(=O)NCCC2CCC2)c(F)c1	ZINC000852197866	DF	On-Demand	Anodyne	TRPV1	50	39
COC(=O)c1ccc(CNC(=O)NCCC2CCC2)c(F)c1	ZINC000852197866	DF	On-Demand	Anodyne	BDKRB1	26	40
CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852197882	DH	On-Demand	Mild	EPHX2	20	46
CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852197882	DH	On-Demand	Mild	ASAH1	87	36
CCCCCCCCCCNC(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC000852197884	DH	On-Demand	Mild	EPHX2	20	46
CCCCCCCCCCNC(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC000852197884	DH	On-Demand	Mild	ASAH1	87	36
CCCCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852197886	DH	On-Demand	Mild	EPHX2	20	46
CCCCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852197886	DH	On-Demand	Mild	ASAH1	87	36
CCCCCCCCCCNC(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC000852197888	DH	On-Demand	Mild	EPHX2	20	46
CCCCCCCCCCNC(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC000852197888	DH	On-Demand	Mild	ASAH1	87	36
O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000852197930	HG	On-Demand	Anodyne	SSTR4	49	35
O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000852197930	HG	On-Demand	Anodyne	SSTR5	40	35
COCCOc1cc(C)ccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852197934	GE	On-Demand	Anodyne	EPHX2	27	46
O=C(N[C@@H]1CCN(c2ncccc2F)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852197948	GD	On-Demand	Anodyne	CALCRL	47	37
O=C(N[C@H]1CCN(c2ncccc2F)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852197951	GD	On-Demand	Anodyne	CALCRL	47	37
C#C[C@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)C1CCOCC1	ZINC000852197959	FG	On-Demand	Mild	KCNQ2	32	48
C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)C1CCOCC1	ZINC000852197961	FG	On-Demand	Mild	KCNQ2	32	48
C#C[C@@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)C1CCOCC1	ZINC000852197963	FG	On-Demand	Mild	KCNQ2	32	48
C#C[C@H](NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)C1CCOCC1	ZINC000852197965	FG	On-Demand	Mild	KCNQ2	32	48
NC(=O)c1csc(CNC(=O)NCCC2CCC2)n1	ZINC000852197978	CD	On-Demand	Anodyne	SIRT3	50	32
NC(=O)c1csc(CNC(=O)NCCC2CCC2)n1	ZINC000852197978	CD	On-Demand	Anodyne	SIRT2	52	33
NC(=O)c1csc(CNC(=O)NCCC2CCC2)n1	ZINC000852197978	CD	On-Demand	Anodyne	SIRT1	50	33
COCCN(CCF)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1	ZINC000852198026	GI	On-Demand	Anodyne	UTS2	40	32
C[C@@H](NC(=O)NCC1SCCS1)c1cccc(N2CCCC2)c1	ZINC000852198052	FG	On-Demand	Anodyne	KCNQ2	48	42
C[C@H](NC(=O)NCC1SCCS1)c1cccc(N2CCCC2)c1	ZINC000852198053	FG	On-Demand	Anodyne	KCNQ2	48	42
CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)C1	ZINC000852198073	GG	On-Demand	Anodyne	TIMP3	40	30
CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)C1	ZINC000852198073	GG	On-Demand	Anodyne	EPHX2	20	40
CCCCCOc1cc(C)ccc1CNC(=O)NCc1ncccn1	ZINC000852198098	EG	On-Demand	Anodyne	PLA2G4B	42	31
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1cccc(N2CCCC2)c1	ZINC000852198223	GF	On-Demand	Anodyne	KCNQ2	22	43
COC[C@@H](CCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)OC	ZINC000852198225	GC	On-Demand	Anodyne	EPHX2	22	40
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O	ZINC000852198228	JI	On-Demand	Anodyne	KCNK3	91	39
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O	ZINC000852198228	JI	On-Demand	Anodyne	KCNK9	49	36
O=C(NCC1SCCS1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1	ZINC000852198233	GD	On-Demand	Anodyne	EPHX2	21	41
C[C@@]1(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1(F)F	ZINC000852198237	GD	On-Demand	Anodyne	EPHX2	42	46
C[C@@H](CNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCCCC1	ZINC000852198256	GF	On-Demand	Anodyne	EPHX2	33	41
O=C(NCCC1SCCS1)N[C@@H]1CCN(c2ncccc2F)C1	ZINC000852198288	FE	On-Demand	Anodyne	SIRT3	40	31
O=C(NCCC1SCCS1)N[C@@H]1CCN(c2ncccc2F)C1	ZINC000852198288	FE	On-Demand	Anodyne	SIRT1	40	31
O=C(NCCC1SCCS1)N[C@H]1CCN(c2ncccc2F)C1	ZINC000852198289	FE	On-Demand	Anodyne	SIRT3	40	31
O=C(NCCC1SCCS1)N[C@H]1CCN(c2ncccc2F)C1	ZINC000852198289	FE	On-Demand	Anodyne	SIRT1	40	31
COc1ccc(N2CC[C@H](NC(=O)NCCC3CCC3)C2)cc1	ZINC000852198296	DF	On-Demand	Clean	MTNR1A	28	47
COc1ccc(N2CC[C@H](NC(=O)NCCC3CCC3)C2)cc1	ZINC000852198296	DF	On-Demand	Clean	MTNR1B	24	47
COc1ccc(N2CC[C@H](NC(=O)NCCC3CCC3)C2)cc1	ZINC000852198296	DF	On-Demand	Clean	MCHR1	15	47
O=C(NCCc1ccnc2ccccc12)NCCC1CCC1	ZINC000852198331	CG	On-Demand	Anodyne	MTNR1A	26	41
O=C(NCCc1ccnc2ccccc12)NCCC1CCC1	ZINC000852198331	CG	On-Demand	Anodyne	MTNR1B	19	41
O=C(NCCc1ccnc2ccccc12)NCCC1CCC1	ZINC000852198331	CG	On-Demand	Anodyne	HNMT	41	35
COCCOc1cc(C)ccc1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852198342	FF	On-Demand	Reactive	F10	51	34
O=C(NCCC1CCC1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852198375	FE	On-Demand	Anodyne	ACHE	32	49
COc1ccc([C@@H]2CCCN2C(=O)NCCC2CCC2)cc1F	ZINC000852198444	DH	On-Demand	Anodyne	ACKR3	56	32
N#Cc1ccc(CCNC(=O)NCCC2CCC2)cc1	ZINC000852198463	CF	On-Demand	Mild	GPBAR1	33	43
O=C(NCCC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852198470	EF	On-Demand	Anodyne	DRD4	19	40
O=C(NCCC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852198470	EF	On-Demand	Anodyne	ACHE	51	61
O=C(NCCC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852198470	EF	On-Demand	Anodyne	HTR4	38	40
O=C(NCCC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852198470	EF	On-Demand	Anodyne	SIGMAR1	32	46
O=C(NCCC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852198470	EF	On-Demand	Anodyne	SSTR5	47	35
O=C(NCCC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852198470	EF	On-Demand	Anodyne	CCR3	45	41
O=C(NCCC1CCC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852198470	EF	On-Demand	Anodyne	CACNA1I	71	43
N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCC4CCC4)CC3)n[nH]2)cc1	ZINC000852198479	GF	On-Demand	Mild	GPBAR1	31	40
COCCCOc1cc(C)ccc1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852198486	GG	On-Demand	Reactive	F10	50	33
COC[C@@]1(C(N)=O)CCCN1Cc1cccc(F)n1	ZINC000852198493	CC	On-Demand	Anodyne	SLC12A5	41	34
COC[C@]1(C(N)=O)CCCN1Cc1cccc(F)n1	ZINC000852198494	CC	On-Demand	Anodyne	SLC12A5	41	34
CCCCCCCCCCNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852198520	EG	On-Demand	Mild	ASAH1	102	41
CCCCCCCCCCNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852198520	EG	On-Demand	Mild	LASR	41	34
CCCCCCCCCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852198521	EG	On-Demand	Mild	ASAH1	102	41
CCCCCCCCCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852198521	EG	On-Demand	Mild	LASR	41	34
O=C(NCCC1CCC1)N1CCc2nccnc2C1	ZINC000852198551	CD	On-Demand	Anodyne	SIRT2	44	32
O=C(NCCC1CCC1)N1CCc2nccnc2C1	ZINC000852198551	CD	On-Demand	Anodyne	SIRT1	40	33
CCCCCCCCCCNC(=O)N1CCc2nccnc2C1	ZINC000852198559	DH	On-Demand	Mild	ASAH1	104	40
O=C(NCCC1CCC1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852198597	DF	On-Demand	Anodyne	DRD2	18	45
O=C(NCCC1CCC1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852198597	DF	On-Demand	Anodyne	ACHE	38	52
O=C(NCCC1CCC1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852198597	DF	On-Demand	Anodyne	SIGMAR1	32	45
O=C(NCCC1CCC1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852198598	DF	On-Demand	Anodyne	DRD2	18	45
O=C(NCCC1CCC1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852198598	DF	On-Demand	Anodyne	ACHE	38	52
O=C(NCCC1CCC1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852198598	DF	On-Demand	Anodyne	SIGMAR1	32	45
O=C(NCCC1CCC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000852198615	EE	On-Demand	Anodyne	ACHE	27	44
O=C(NCCC1CCC1)NCc1ncccn1	ZINC000852198698	BD	On-Demand	Anodyne	SIRT3	40	32
O=C(NCCC1CCC1)NCc1ncccn1	ZINC000852198698	BD	On-Demand	Anodyne	SIRT2	46	33
O=C(NCCC1CCC1)NCc1ncccn1	ZINC000852198698	BD	On-Demand	Anodyne	SIRT1	41	33
O=C(NCCC1CCC1)NCC1CCN(CC2CC2)CC1	ZINC000852198713	CF	On-Demand	Anodyne	CACNA1I	57	40
O=C(NCCC1CCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852198761	EH	On-Demand	Anodyne	KCNH2	43	41
O=C(NCCC1CCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852198761	EH	On-Demand	Anodyne	EPHX2	20	45
COCCCOc1cc(C)ccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852198766	GE	On-Demand	Anodyne	EPHX2	21	44
CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000852198872	FF	On-Demand	Bother	EPHX2	19	40
CC(C)(C)N1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000852198873	FF	On-Demand	Bother	EPHX2	19	40
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852198874	GG	On-Demand	Bother	CACNA1C	53	36
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852198874	GG	On-Demand	Bother	CACNA1D	79	34
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852198874	GG	On-Demand	Bother	SLC27A4	49	32
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852198877	GG	On-Demand	Bother	CACNA1C	53	36
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852198877	GG	On-Demand	Bother	CACNA1D	79	34
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852198877	GG	On-Demand	Bother	SLC27A4	49	32
C=C[C@@H](C)NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852198884	GF	On-Demand	Mild	TACR1	17	40
C=C[C@H](C)NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852198885	GF	On-Demand	Mild	TACR1	17	40
O=C(NCCC1CCC1)N1CCC(c2ccon2)CC1	ZINC000852198891	CF	On-Demand	Anodyne	SMO	34	45
O=C(NCCC1CCC1)N1CCC(c2ccon2)CC1	ZINC000852198891	CF	On-Demand	Anodyne	ETHR	51	32
COCc1csc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000852198947	FG	On-Demand	Bother	CACNA1D	64	37
COC1CC(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000852198978	EF	On-Demand	Bother	CACNA1C	41	34
COC1CC(CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000852198978	EF	On-Demand	Bother	CACNA1D	67	34
Cn1ncc(C2CCC2)c1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852199022	GG	On-Demand	Bother	P2RX7	23	40
O=C(NCCC1CCC1)NCc1cccnc1N1CCCC1	ZINC000852199041	DF	On-Demand	Anodyne	TRPV1	34	41
O=C(NCCC1CCC1)NCc1cccnc1N1CCCC1	ZINC000852199041	DF	On-Demand	Anodyne	SCN2A	18	45
O=C(NCCC1CCC1)NCc1cccnc1N1CCCC1	ZINC000852199041	DF	On-Demand	Anodyne	SCN10A	20	45
O=C(NCCC1CCC1)NCc1cccnc1N1CCCC1	ZINC000852199041	DF	On-Demand	Anodyne	SIRT3	56	35
O=C(NCCC1CCC1)NCc1cccnc1N1CCCC1	ZINC000852199041	DF	On-Demand	Anodyne	SIRT2	55	35
O=C(NCCC1CCC1)NCc1cccnc1N1CCCC1	ZINC000852199041	DF	On-Demand	Anodyne	SIRT1	54	35
COc1cccc(OC)c1CNC(=O)NCCC1CCC1	ZINC000852199042	CF	On-Demand	Anodyne	DRD2	20	40
CCCCCCCCCCNC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852199054	EH	On-Demand	Mild	ASAH1	102	39
CCCCCCCCCCNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852199090	EG	On-Demand	Mild	ASAH1	109	43
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2COC[C@H]2C1	ZINC000852199093	EE	On-Demand	Bother	EPHX2	17	41
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2COC[C@@H]2C1	ZINC000852199094	EE	On-Demand	Bother	EPHX2	17	41
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852199095	EE	On-Demand	Bother	EPHX2	17	41
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2COC[C@H]2C1	ZINC000852199096	EE	On-Demand	Bother	EPHX2	17	41
CSc1cc(C)ccc1CNC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852199120	GE	On-Demand	Anodyne	TRPV1	60	33
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2ccco2)CC1	ZINC000852199129	FH	On-Demand	Bother	EPHX2	15	41
C[C@H]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)O1	ZINC000852199161	EG	On-Demand	Bother	CACNA1D	59	35
C[C@H]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)O1	ZINC000852199161	EG	On-Demand	Bother	SLC27A4	49	33
CNC(=O)CC1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCCC1	ZINC000852199165	GG	On-Demand	Bother	NMBR	53	31
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000852199170	GE	On-Demand	Anodyne	CACNA1I	54	32
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000852199170	GE	On-Demand	Anodyne	ACKR3	59	29
COCCN(CCF)C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000852199171	GE	On-Demand	Anodyne	CACNA1I	54	32
COCCN(CCF)C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1	ZINC000852199171	GE	On-Demand	Anodyne	ACKR3	59	29
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1cccnc1N1CCCC1	ZINC000852199190	GG	On-Demand	Bother	P2RX7	18	41
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1cccnc1N1CCCC1	ZINC000852199190	GG	On-Demand	Bother	SCN2A	20	48
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1cccnc1N1CCCC1	ZINC000852199190	GG	On-Demand	Bother	SCN10A	26	48
CCCCCCCCCCNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852199191	EG	On-Demand	Mild	ASAH1	109	43
CCCCCCCCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852199192	EG	On-Demand	Mild	ASAH1	109	43
CCCCCCCCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852199193	EG	On-Demand	Mild	ASAH1	109	43
CCCCCCCCCCNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852199199	FH	On-Demand	Mild	ASAH1	99	40
CCCCCCCCCCNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852199199	FH	On-Demand	Mild	LASR	48	36
CCCCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852199219	CE	On-Demand	Mild	EPHX2	26	53
CCCCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852199219	CE	On-Demand	Mild	ASAH1	91	38
CCCCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852199219	CE	On-Demand	Mild	LASR	59	37
CCCCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852199220	CE	On-Demand	Mild	EPHX2	26	53
CCCCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852199220	CE	On-Demand	Mild	ASAH1	91	38
CCCCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852199220	CE	On-Demand	Mild	LASR	59	37
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852199286	GG	On-Demand	Bother	SIGMAR1	20	46
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1CCN1Cc1ccccc1	ZINC000852199287	GG	On-Demand	Bother	SIGMAR1	20	46
Cn1ncc(C2CC2)c1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852199301	FF	On-Demand	Bother	P2RX7	27	42
C=C[C@@H](C)NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852199305	GF	On-Demand	Mild	CCR5	59	36
C=C[C@H](C)NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852199306	GF	On-Demand	Mild	CCR5	59	36
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1CCN(CC2CC2)CC1	ZINC000852199324	GG	On-Demand	Bother	CACNA1I	76	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852199325	GH	On-Demand	Bother	CACNA1C	43	37
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852199325	GH	On-Demand	Bother	CACNA1D	67	37
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199329	GF	On-Demand	Anodyne	GRIN2B	15	42
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199329	GF	On-Demand	Anodyne	C3AR1	41	40
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199329	GF	On-Demand	Anodyne	EPHX2	25	46
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199329	GF	On-Demand	Anodyne	CCR8	44	35
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199330	GF	On-Demand	Anodyne	GRIN2B	15	42
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199330	GF	On-Demand	Anodyne	C3AR1	41	40
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199330	GF	On-Demand	Anodyne	EPHX2	25	46
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199330	GF	On-Demand	Anodyne	CCR8	44	35
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852199375	GH	On-Demand	Bother	EPHX2	16	40
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC([C@H]2CCCCO2)CC1	ZINC000852199376	GH	On-Demand	Bother	EPHX2	16	40
COCCN(CCF)C(=O)NC[C@@H]1CCN(CC(C)C)C1	ZINC000852199394	DD	On-Demand	Anodyne	CACNA1I	42	34
COCCN(CCF)C(=O)NC[C@H]1CCN(CC(C)C)C1	ZINC000852199395	DD	On-Demand	Anodyne	CACNA1I	42	34
C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199404	FE	On-Demand	Mild	HTR1A	41	38
C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199404	FE	On-Demand	Mild	DRD2	35	43
C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199404	FE	On-Demand	Mild	ADRA1D	49	43
C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199404	FE	On-Demand	Mild	ADRA1A	40	43
C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199404	FE	On-Demand	Mild	ADRA1B	38	43
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199405	FE	On-Demand	Mild	HTR1A	41	38
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199405	FE	On-Demand	Mild	DRD2	35	43
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199405	FE	On-Demand	Mild	ADRA1D	49	43
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199405	FE	On-Demand	Mild	ADRA1A	40	43
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199405	FE	On-Demand	Mild	ADRA1B	38	43
C#C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199406	FE	On-Demand	Mild	HTR1A	41	38
C#C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199406	FE	On-Demand	Mild	DRD2	35	43
C#C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199406	FE	On-Demand	Mild	ADRA1D	49	43
C#C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199406	FE	On-Demand	Mild	ADRA1A	40	43
C#C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199406	FE	On-Demand	Mild	ADRA1B	38	43
C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199407	FE	On-Demand	Mild	HTR1A	41	38
C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199407	FE	On-Demand	Mild	DRD2	35	43
C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199407	FE	On-Demand	Mild	ADRA1D	49	43
C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199407	FE	On-Demand	Mild	ADRA1A	40	43
C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C1CCOCC1	ZINC000852199407	FE	On-Demand	Mild	ADRA1B	38	43
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2ccon2)CC1	ZINC000852199420	FG	On-Demand	Bother	EPHX2	15	40
C=C[C@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852199462	FH	On-Demand	Mild	GPR119	25	43
C=C[C@@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852199464	FH	On-Demand	Mild	GPR119	25	43
C=C[C@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852199466	FH	On-Demand	Mild	GPR119	25	43
C=C[C@@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852199468	FH	On-Demand	Mild	GPR119	25	43
CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852199481	EG	On-Demand	Clean	CCR3	19	41
CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852199481	EG	On-Demand	Clean	MTNR1B	15	48
CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852199482	EG	On-Demand	Clean	CCR3	19	41
CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852199482	EG	On-Demand	Clean	MTNR1B	15	48
CC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852199483	EG	On-Demand	Clean	CCR3	19	41
CC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852199483	EG	On-Demand	Clean	MTNR1B	15	48
CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852199485	EG	On-Demand	Clean	CCR3	19	41
CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852199485	EG	On-Demand	Clean	MTNR1B	15	48
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	HTR1A	65	44
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	DRD2	60	44
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	DRD4	37	41
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	ADRA1D	62	41
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	ADRA1A	55	41
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	ADRA1B	47	41
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	DRD3	65	44
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	HTR7	44	36
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	MTNR1A	17	49
COc1ccccc1N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199525	FF	On-Demand	Anodyne	MTNR1B	17	49
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	HTR1A	65	44
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	DRD2	60	44
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	DRD4	37	41
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	ADRA1D	62	41
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	ADRA1A	55	41
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	ADRA1B	47	41
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	DRD3	65	44
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	HTR7	44	36
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	MTNR1A	17	49
COc1ccccc1N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852199526	FF	On-Demand	Anodyne	MTNR1B	17	49
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852199541	FD	On-Demand	Anodyne	HTR1A	67	43
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852199541	FD	On-Demand	Anodyne	DRD2	58	43
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852199541	FD	On-Demand	Anodyne	DRD4	35	41
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852199541	FD	On-Demand	Anodyne	ADRA1D	60	42
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852199541	FD	On-Demand	Anodyne	ADRA1A	55	42
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852199541	FD	On-Demand	Anodyne	ADRA1B	43	41
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852199541	FD	On-Demand	Anodyne	DRD3	64	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852199541	FD	On-Demand	Anodyne	HTR7	46	36
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000852199543	FD	On-Demand	Anodyne	HTR1A	67	43
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000852199543	FD	On-Demand	Anodyne	DRD2	58	43
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000852199543	FD	On-Demand	Anodyne	DRD4	35	41
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000852199543	FD	On-Demand	Anodyne	ADRA1D	60	42
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000852199543	FD	On-Demand	Anodyne	ADRA1A	55	42
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000852199543	FD	On-Demand	Anodyne	ADRA1B	43	41
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000852199543	FD	On-Demand	Anodyne	DRD3	64	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2OC)C1	ZINC000852199543	FD	On-Demand	Anodyne	HTR7	46	36
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199565	EE	On-Demand	Anodyne	GRIN2B	25	44
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199565	EE	On-Demand	Anodyne	SIGMAR1	15	40
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199565	EE	On-Demand	Anodyne	C3AR1	42	43
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199565	EE	On-Demand	Anodyne	EPHX2	32	40
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199565	EE	On-Demand	Anodyne	BIRC2	18	40
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199566	EE	On-Demand	Anodyne	GRIN2B	25	44
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199566	EE	On-Demand	Anodyne	SIGMAR1	15	40
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199566	EE	On-Demand	Anodyne	C3AR1	42	43
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199566	EE	On-Demand	Anodyne	EPHX2	32	40
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199566	EE	On-Demand	Anodyne	BIRC2	18	40
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852199567	EE	On-Demand	Anodyne	GRIN2B	25	44
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852199567	EE	On-Demand	Anodyne	SIGMAR1	15	40
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852199567	EE	On-Demand	Anodyne	C3AR1	42	43
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852199567	EE	On-Demand	Anodyne	EPHX2	32	40
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852199567	EE	On-Demand	Anodyne	BIRC2	18	40
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199568	EE	On-Demand	Anodyne	GRIN2B	25	44
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199568	EE	On-Demand	Anodyne	SIGMAR1	15	40
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199568	EE	On-Demand	Anodyne	C3AR1	42	43
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199568	EE	On-Demand	Anodyne	EPHX2	32	40
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199568	EE	On-Demand	Anodyne	BIRC2	18	40
N#CC1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCCC1	ZINC000852199584	FH	On-Demand	Mild	NMBR	46	31
O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852199601	FE	On-Demand	Anodyne	C3AR1	42	43
O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852199601	FE	On-Demand	Anodyne	PREP	40	34
O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852199601	FE	On-Demand	Anodyne	EPHX2	27	41
O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852199601	FE	On-Demand	Anodyne	BIRC2	15	40
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852199602	FE	On-Demand	Anodyne	C3AR1	42	43
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852199602	FE	On-Demand	Anodyne	PREP	40	34
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852199602	FE	On-Demand	Anodyne	EPHX2	27	41
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852199602	FE	On-Demand	Anodyne	BIRC2	15	40
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852199603	FE	On-Demand	Anodyne	C3AR1	42	43
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852199603	FE	On-Demand	Anodyne	PREP	40	34
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852199603	FE	On-Demand	Anodyne	EPHX2	27	41
O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852199603	FE	On-Demand	Anodyne	BIRC2	15	40
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199679	EE	On-Demand	Anodyne	HTR1A	54	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199679	EE	On-Demand	Anodyne	DRD2	45	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199679	EE	On-Demand	Anodyne	ADRA1D	58	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199679	EE	On-Demand	Anodyne	ADRA1A	47	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199679	EE	On-Demand	Anodyne	ADRA1B	47	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199679	EE	On-Demand	Anodyne	DRD3	48	38
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199681	EE	On-Demand	Anodyne	HTR1A	54	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199681	EE	On-Demand	Anodyne	DRD2	45	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199681	EE	On-Demand	Anodyne	ADRA1D	58	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199681	EE	On-Demand	Anodyne	ADRA1A	47	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199681	EE	On-Demand	Anodyne	ADRA1B	47	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852199681	EE	On-Demand	Anodyne	DRD3	48	38
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199683	EE	On-Demand	Anodyne	HTR1A	54	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199683	EE	On-Demand	Anodyne	DRD2	45	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199683	EE	On-Demand	Anodyne	ADRA1D	58	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199683	EE	On-Demand	Anodyne	ADRA1A	47	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199683	EE	On-Demand	Anodyne	ADRA1B	47	41
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199683	EE	On-Demand	Anodyne	DRD3	48	38
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199686	EE	On-Demand	Anodyne	HTR1A	54	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199686	EE	On-Demand	Anodyne	DRD2	45	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199686	EE	On-Demand	Anodyne	ADRA1D	58	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199686	EE	On-Demand	Anodyne	ADRA1A	47	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199686	EE	On-Demand	Anodyne	ADRA1B	47	41
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852199686	EE	On-Demand	Anodyne	DRD3	48	38
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(CC(C)C)C3)C2)cc1	ZINC000852199748	FF	On-Demand	Clean	CACNA1I	42	33
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(CC(C)C)C3)C2)cc1	ZINC000852199750	FF	On-Demand	Clean	CACNA1I	42	33
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)C1	ZINC000852199771	EG	On-Demand	Anodyne	TIMP3	41	35
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)C1	ZINC000852199771	EG	On-Demand	Anodyne	BACE1	17	41
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)C1	ZINC000852199772	EG	On-Demand	Anodyne	TIMP3	41	35
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)C1	ZINC000852199772	EG	On-Demand	Anodyne	BACE1	17	41
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199825	GD	On-Demand	Reactive	GRIN2B	29	41
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199825	GD	On-Demand	Reactive	C3AR1	41	40
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199827	GD	On-Demand	Reactive	GRIN2B	29	41
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852199827	GD	On-Demand	Reactive	C3AR1	41	40
CCO[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000852199854	EF	On-Demand	Bother	CACNA1C	41	35
CCO[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000852199854	EF	On-Demand	Bother	CACNA1D	63	35
CCO[C@@H]1C[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000852199854	EF	On-Demand	Bother	SLC27A4	49	34
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000852199857	FE	On-Demand	Bother	CACNA1D	40	33
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1cccc(OC2CC2)c1F	ZINC000852199859	GH	On-Demand	Bother	CACNA1C	46	35
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCc1cccc(OC2CC2)c1F	ZINC000852199859	GH	On-Demand	Bother	CACNA1D	70	35
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2C[C@@H]2C1	ZINC000852199892	DF	On-Demand	Bother	EPHX2	19	43
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2C[C@H]2C1	ZINC000852199893	DF	On-Demand	Bother	EPHX2	19	43
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2C[C@@H]2C1	ZINC000852199895	DF	On-Demand	Bother	EPHX2	19	43
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2C[C@H]2C1	ZINC000852199897	DF	On-Demand	Bother	EPHX2	19	43
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](CCF)C1	ZINC000852199898	EH	On-Demand	Bother	EPHX2	15	52
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](CCF)C1	ZINC000852199900	EH	On-Demand	Bother	EPHX2	15	52
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CCN(C(=O)CCc4ccccc4)C3)C2)N1	ZINC000852199912	GD	On-Demand	Anodyne	C3AR1	40	40
O=C1CCC2=C(CCN(C(=O)N[C@H]3CCN(C(=O)CCc4ccccc4)C3)C2)N1	ZINC000852199915	GD	On-Demand	Anodyne	C3AR1	40	40
COc1ccccc1N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199956	FF	On-Demand	Reactive	HTR1A	50	39
COc1ccccc1N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199956	FF	On-Demand	Reactive	DRD2	46	43
COc1ccccc1N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199956	FF	On-Demand	Reactive	DRD4	29	40
COc1ccccc1N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199956	FF	On-Demand	Reactive	ADRA1D	58	43
COc1ccccc1N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199956	FF	On-Demand	Reactive	ADRA1A	48	43
COc1ccccc1N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199956	FF	On-Demand	Reactive	ADRA1B	47	43
COc1ccccc1N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199956	FF	On-Demand	Reactive	DRD3	48	39
COc1ccccc1N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199956	FF	On-Demand	Reactive	F10	48	32
COc1ccccc1N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199957	FF	On-Demand	Reactive	HTR1A	50	39
COc1ccccc1N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199957	FF	On-Demand	Reactive	DRD2	46	43
COc1ccccc1N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199957	FF	On-Demand	Reactive	DRD4	29	40
COc1ccccc1N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199957	FF	On-Demand	Reactive	ADRA1D	58	43
COc1ccccc1N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199957	FF	On-Demand	Reactive	ADRA1A	48	43
COc1ccccc1N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199957	FF	On-Demand	Reactive	ADRA1B	47	43
COc1ccccc1N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199957	FF	On-Demand	Reactive	DRD3	48	39
COc1ccccc1N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852199957	FF	On-Demand	Reactive	F10	48	32
C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1S(C)(=O)=O	ZINC000852200013	GD	On-Demand	Bother	EPHX2	16	41
C=C[C@@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852200020	DF	On-Demand	Mild	CTSK	18	43
C=C[C@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852200021	DF	On-Demand	Mild	CTSK	18	43
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCC(N2CCOC2=O)CC1	ZINC000852200022	GE	On-Demand	Bother	EPHX2	15	41
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCNC1=O	ZINC000852200031	DC	On-Demand	Bother	SLC27A4	42	30
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCNC1=O	ZINC000852200032	DC	On-Demand	Bother	SLC27A4	42	30
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200068	GF	On-Demand	Reactive	GRIN2B	19	43
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200068	GF	On-Demand	Reactive	C3AR1	45	44
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200069	GF	On-Demand	Reactive	GRIN2B	19	43
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200069	GF	On-Demand	Reactive	C3AR1	45	44
COCCN(CCF)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852200074	EE	On-Demand	Bother	CACNA1D	47	33
O=C(NCC1(Cc2ccccc2)CCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852200081	FG	On-Demand	Anodyne	SMO	21	42
COc1ccccc1N1CC[C@@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852200144	GE	On-Demand	Anodyne	HTR1A	46	42
COc1ccccc1N1CC[C@@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852200144	GE	On-Demand	Anodyne	DRD2	41	42
COc1ccccc1N1CC[C@@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852200144	GE	On-Demand	Anodyne	ADRA1D	45	37
COc1ccccc1N1CC[C@@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852200144	GE	On-Demand	Anodyne	DRD3	48	36
COc1ccccc1N1CC[C@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852200145	GE	On-Demand	Anodyne	HTR1A	46	42
COc1ccccc1N1CC[C@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852200145	GE	On-Demand	Anodyne	DRD2	41	42
COc1ccccc1N1CC[C@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852200145	GE	On-Demand	Anodyne	ADRA1D	45	37
COc1ccccc1N1CC[C@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852200145	GE	On-Demand	Anodyne	DRD3	48	36
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852200177	FG	On-Demand	Anodyne	CTSK	17	41
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852200178	FG	On-Demand	Anodyne	CTSK	17	41
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852200179	FG	On-Demand	Anodyne	CTSK	17	41
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852200180	FG	On-Demand	Anodyne	CTSK	17	41
O=C(NCC1SCCS1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200186	GE	On-Demand	Anodyne	GRIN2B	18	45
O=C(NCC1SCCS1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200186	GE	On-Demand	Anodyne	C3AR1	42	41
O=C(NCC1SCCS1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200186	GE	On-Demand	Anodyne	EPHX2	32	42
O=C(NCC1SCCS1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200187	GE	On-Demand	Anodyne	GRIN2B	18	45
O=C(NCC1SCCS1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200187	GE	On-Demand	Anodyne	C3AR1	42	41
O=C(NCC1SCCS1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200187	GE	On-Demand	Anodyne	EPHX2	32	42
C#CCCCCNC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852200232	BD	On-Demand	Mild	EPHX2	21	45
C=C[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852200242	DG	On-Demand	Mild	ROCK2	19	40
C=C[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852200242	DG	On-Demand	Mild	FPR1	43	33
C=C[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852200244	DG	On-Demand	Mild	ROCK2	19	40
C=C[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852200244	DG	On-Demand	Mild	FPR1	43	33
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852200275	GE	On-Demand	Bother	P2RX7	24	41
O=C(NCCN1C[C@H]2CCCCN2C1=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852200276	GE	On-Demand	Bother	P2RX7	24	41
C#CCCCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852200307	CD	On-Demand	Mild	DRD3	41	36
C#CCCCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852200307	CD	On-Demand	Mild	PYGL	34	47
C#CCCCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852200307	CD	On-Demand	Mild	PYGM	31	47
C#CCCCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852200311	CD	On-Demand	Mild	DRD3	41	36
C#CCCCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852200311	CD	On-Demand	Mild	PYGL	34	47
C#CCCCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852200311	CD	On-Demand	Mild	PYGM	31	47
O=C(NCC1(Cc2ccccc2)CCC1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852200344	GD	On-Demand	Reactive	SLC12A5	46	35
C#CCCCCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852200411	CH	On-Demand	Mild	DNAE	69	33
O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[C@@H]2C[C@@H]2C1	ZINC000852200454	DG	On-Demand	Anodyne	EPHX2	15	41
O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[C@@H]2C[C@@H]2C1	ZINC000852200454	DG	On-Demand	Anodyne	RBP4	58	33
O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[C@@H]2C[C@H]2C1	ZINC000852200455	DG	On-Demand	Anodyne	EPHX2	15	41
O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[C@@H]2C[C@H]2C1	ZINC000852200455	DG	On-Demand	Anodyne	RBP4	58	33
O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[C@H]2C[C@H]2C1	ZINC000852200456	DG	On-Demand	Anodyne	EPHX2	15	41
O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[C@H]2C[C@H]2C1	ZINC000852200456	DG	On-Demand	Anodyne	RBP4	58	33
O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[C@H]2C[C@@H]2C1	ZINC000852200457	DG	On-Demand	Anodyne	EPHX2	15	41
O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[C@H]2C[C@@H]2C1	ZINC000852200457	DG	On-Demand	Anodyne	RBP4	58	33
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200557	GD	On-Demand	Anodyne	EPHX2	25	43
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200558	GD	On-Demand	Anodyne	EPHX2	25	43
CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1	ZINC000852200576	DG	On-Demand	Bother	CACNA1D	51	32
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852200608	FG	On-Demand	Mild	CTSK	17	41
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852200610	FG	On-Demand	Mild	CTSK	17	41
COC(=O)N(C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000852200611	ED	On-Demand	Bother	CACNA1D	48	33
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852200612	FG	On-Demand	Mild	CTSK	17	41
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852200614	FG	On-Demand	Mild	CTSK	17	41
COC[C@@H](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)OC	ZINC000852200621	EE	On-Demand	Bother	CACNA1C	43	38
COC[C@@H](CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)OC	ZINC000852200621	EE	On-Demand	Bother	CACNA1D	73	38
O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852200663	DG	On-Demand	Bother	EPHX2	16	40
C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)C1CCOCC1	ZINC000852200669	GD	On-Demand	Mild	C3AR1	43	43
C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)C1CCOCC1	ZINC000852200669	GD	On-Demand	Mild	BIRC2	18	41
C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)C1CCOCC1	ZINC000852200671	GD	On-Demand	Mild	C3AR1	43	43
C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)C1CCOCC1	ZINC000852200671	GD	On-Demand	Mild	BIRC2	18	41
C#C[C@@H](NC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)C1CCOCC1	ZINC000852200673	GD	On-Demand	Mild	C3AR1	43	43
C#C[C@@H](NC(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)C1CCOCC1	ZINC000852200673	GD	On-Demand	Mild	BIRC2	18	41
C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)C1CCOCC1	ZINC000852200676	GD	On-Demand	Mild	C3AR1	43	43
C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)C1CCOCC1	ZINC000852200676	GD	On-Demand	Mild	BIRC2	18	41
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200684	FD	On-Demand	Anodyne	GRIN2B	34	53
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200684	FD	On-Demand	Anodyne	C3AR1	47	46
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200684	FD	On-Demand	Anodyne	PREP	41	35
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200684	FD	On-Demand	Anodyne	EPHX2	40	45
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200684	FD	On-Demand	Anodyne	BIRC2	25	41
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200686	FD	On-Demand	Anodyne	GRIN2B	34	53
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200686	FD	On-Demand	Anodyne	C3AR1	47	46
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200686	FD	On-Demand	Anodyne	PREP	41	35
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200686	FD	On-Demand	Anodyne	EPHX2	40	45
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1	ZINC000852200686	FD	On-Demand	Anodyne	BIRC2	25	41
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200727	FC	On-Demand	Reactive	HTR1A	60	39
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200727	FC	On-Demand	Reactive	DRD2	55	41
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200727	FC	On-Demand	Reactive	ADRA1D	48	39
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200727	FC	On-Demand	Reactive	ADRA1A	41	39
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200727	FC	On-Demand	Reactive	DRD3	64	41
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200727	FC	On-Demand	Reactive	HTR7	40	36
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200728	FC	On-Demand	Reactive	HTR1A	60	39
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200728	FC	On-Demand	Reactive	DRD2	55	41
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200728	FC	On-Demand	Reactive	ADRA1D	48	39
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200728	FC	On-Demand	Reactive	ADRA1A	41	39
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200728	FC	On-Demand	Reactive	DRD3	64	41
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852200728	FC	On-Demand	Reactive	HTR7	40	36
COC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1	ZINC000852200757	FE	On-Demand	Bother	CACNA1C	47	37
COC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1	ZINC000852200757	FE	On-Demand	Bother	CACNA1D	73	37
COC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1	ZINC000852200758	FE	On-Demand	Bother	CACNA1C	47	37
COC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1	ZINC000852200758	FE	On-Demand	Bother	CACNA1D	73	37
O=C(NCc1ncccn1)NCC1(Cc2ccccc2)CCC1	ZINC000852200826	DF	On-Demand	Anodyne	NPFFR2	19	41
O=C(NCc1ncccn1)NCC1(Cc2ccccc2)CCC1	ZINC000852200826	DF	On-Demand	Anodyne	NPFFR1	25	41
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852200884	FG	On-Demand	Anodyne	CTSK	16	40
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852200885	FG	On-Demand	Anodyne	CTSK	16	40
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852200886	FG	On-Demand	Anodyne	CTSK	16	40
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852200887	FG	On-Demand	Anodyne	CTSK	16	40
COC(=O)c1nc(CNC(=O)NC[C@H]2CCN(CC(C)C)C2)ccc1Cl	ZINC000852200895	GE	On-Demand	Anodyne	HTR4	35	40
COC(=O)c1nc(CNC(=O)NC[C@H]2CCN(CC(C)C)C2)ccc1Cl	ZINC000852200895	GE	On-Demand	Anodyne	CACNA1I	70	39
CC[C@H]1CCC[C@@H]1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852200950	EF	On-Demand	Anodyne	EPHX2	15	40
CC[C@H]1CCC[C@H]1NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852200951	EF	On-Demand	Anodyne	EPHX2	15	40
COc1ccccc1N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852200960	FE	On-Demand	Anodyne	HTR1A	70	43
COc1ccccc1N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852200960	FE	On-Demand	Anodyne	DRD2	65	42
COc1ccccc1N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852200960	FE	On-Demand	Anodyne	DRD4	36	41
COc1ccccc1N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852200960	FE	On-Demand	Anodyne	ADRA1D	63	42
COc1ccccc1N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852200960	FE	On-Demand	Anodyne	ADRA1A	57	42
COc1ccccc1N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852200960	FE	On-Demand	Anodyne	ADRA1B	49	42
COc1ccccc1N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852200960	FE	On-Demand	Anodyne	DRD3	65	41
COc1ccccc1N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852200960	FE	On-Demand	Anodyne	HTR7	49	37
COc1ccccc1N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852200961	FE	On-Demand	Anodyne	HTR1A	70	43
COc1ccccc1N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852200961	FE	On-Demand	Anodyne	DRD2	65	42
COc1ccccc1N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852200961	FE	On-Demand	Anodyne	DRD4	36	41
COc1ccccc1N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852200961	FE	On-Demand	Anodyne	ADRA1D	63	42
COc1ccccc1N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852200961	FE	On-Demand	Anodyne	ADRA1A	57	42
COc1ccccc1N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852200961	FE	On-Demand	Anodyne	ADRA1B	49	42
COc1ccccc1N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852200961	FE	On-Demand	Anodyne	DRD3	65	41
COc1ccccc1N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852200961	FE	On-Demand	Anodyne	HTR7	49	37
COc1ccccc1N1CC[C@H](NC(=O)N2CCC3=C(CCC(=O)N3)C2)C1	ZINC000852200962	FD	On-Demand	Anodyne	HTR1A	43	36
COc1ccccc1N1CC[C@@H](NC(=O)N2CCC3=C(CCC(=O)N3)C2)C1	ZINC000852200963	FD	On-Demand	Anodyne	HTR1A	43	36
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C)cc3OC)C2)cc1	ZINC000852201023	FG	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C)cc3OC)C2)cc1	ZINC000852201023	FG	On-Demand	Clean	MTNR1B	16	48
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCC2)O1	ZINC000852201048	FD	On-Demand	Reactive	SLC12A5	42	35
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCC2)O1	ZINC000852201048	FD	On-Demand	Reactive	HCN1	57	35
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCC2)O1	ZINC000852201048	FD	On-Demand	Reactive	HCN4	49	31
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCC2)O1	ZINC000852201050	FD	On-Demand	Reactive	SLC12A5	42	35
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCC2)O1	ZINC000852201050	FD	On-Demand	Reactive	HCN1	57	35
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCC2)O1	ZINC000852201050	FD	On-Demand	Reactive	HCN4	49	31
COc1ccccc1N1CC[C@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852201141	GD	On-Demand	Anodyne	HTR1A	46	39
COc1ccccc1N1CC[C@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852201141	GD	On-Demand	Anodyne	ADRA1D	51	39
COc1ccccc1N1CC[C@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852201141	GD	On-Demand	Anodyne	ADRA1A	44	39
COc1ccccc1N1CC[C@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852201141	GD	On-Demand	Anodyne	ADRA1B	42	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852201142	GD	On-Demand	Anodyne	HTR1A	46	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852201142	GD	On-Demand	Anodyne	ADRA1D	51	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852201142	GD	On-Demand	Anodyne	ADRA1A	44	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852201142	GD	On-Demand	Anodyne	ADRA1B	42	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201147	FD	On-Demand	Anodyne	HTR1A	47	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201147	FD	On-Demand	Anodyne	ADRA1D	51	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201147	FD	On-Demand	Anodyne	ADRA1A	43	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201147	FD	On-Demand	Anodyne	ADRA1B	42	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201147	FD	On-Demand	Anodyne	DRD3	40	37
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201148	FD	On-Demand	Anodyne	HTR1A	47	39
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201148	FD	On-Demand	Anodyne	ADRA1D	51	39
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201148	FD	On-Demand	Anodyne	ADRA1A	43	39
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201148	FD	On-Demand	Anodyne	ADRA1B	42	39
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852201148	FD	On-Demand	Anodyne	DRD3	40	37
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201149	FD	On-Demand	Anodyne	HTR1A	47	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201149	FD	On-Demand	Anodyne	ADRA1D	51	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201149	FD	On-Demand	Anodyne	ADRA1A	43	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201149	FD	On-Demand	Anodyne	ADRA1B	42	39
COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201149	FD	On-Demand	Anodyne	DRD3	40	37
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201150	FD	On-Demand	Anodyne	HTR1A	47	39
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201150	FD	On-Demand	Anodyne	ADRA1D	51	39
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201150	FD	On-Demand	Anodyne	ADRA1A	43	39
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201150	FD	On-Demand	Anodyne	ADRA1B	42	39
COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852201150	FD	On-Demand	Anodyne	DRD3	40	37
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201162	DE	On-Demand	Anodyne	HTR1A	62	40
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201162	DE	On-Demand	Anodyne	DRD2	52	43
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201162	DE	On-Demand	Anodyne	DRD4	32	40
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201162	DE	On-Demand	Anodyne	ADRA1D	55	43
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201162	DE	On-Demand	Anodyne	ADRA1A	48	43
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201162	DE	On-Demand	Anodyne	ADRA1B	43	43
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201162	DE	On-Demand	Anodyne	DRD3	55	42
COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201162	DE	On-Demand	Anodyne	HTR7	42	37
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201163	DE	On-Demand	Anodyne	HTR1A	62	40
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201163	DE	On-Demand	Anodyne	DRD2	52	43
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201163	DE	On-Demand	Anodyne	DRD4	32	40
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201163	DE	On-Demand	Anodyne	ADRA1D	55	43
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201163	DE	On-Demand	Anodyne	ADRA1A	48	43
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201163	DE	On-Demand	Anodyne	ADRA1B	43	43
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201163	DE	On-Demand	Anodyne	DRD3	55	42
COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201163	DE	On-Demand	Anodyne	HTR7	42	37
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201164	DE	On-Demand	Anodyne	HTR1A	62	40
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201164	DE	On-Demand	Anodyne	DRD2	52	43
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201164	DE	On-Demand	Anodyne	DRD4	32	40
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201164	DE	On-Demand	Anodyne	ADRA1D	55	43
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201164	DE	On-Demand	Anodyne	ADRA1A	48	43
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201164	DE	On-Demand	Anodyne	ADRA1B	43	43
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201164	DE	On-Demand	Anodyne	DRD3	55	42
COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852201164	DE	On-Demand	Anodyne	HTR7	42	37
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201165	DE	On-Demand	Anodyne	HTR1A	62	40
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201165	DE	On-Demand	Anodyne	DRD2	52	43
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201165	DE	On-Demand	Anodyne	DRD4	32	40
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201165	DE	On-Demand	Anodyne	ADRA1D	55	43
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201165	DE	On-Demand	Anodyne	ADRA1A	48	43
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201165	DE	On-Demand	Anodyne	ADRA1B	43	43
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201165	DE	On-Demand	Anodyne	DRD3	55	42
COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852201165	DE	On-Demand	Anodyne	HTR7	42	37
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201205	FD	On-Demand	Reactive	HTR1A	51	54
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201205	FD	On-Demand	Reactive	DRD2	46	54
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201205	FD	On-Demand	Reactive	DRD4	29	54
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201205	FD	On-Demand	Reactive	ADRA1D	49	39
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201205	FD	On-Demand	Reactive	ADRA1A	42	39
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201205	FD	On-Demand	Reactive	DRD3	52	54
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201206	FD	On-Demand	Reactive	HTR1A	51	54
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201206	FD	On-Demand	Reactive	DRD2	46	54
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201206	FD	On-Demand	Reactive	DRD4	29	54
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201206	FD	On-Demand	Reactive	ADRA1D	49	39
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201206	FD	On-Demand	Reactive	ADRA1A	42	39
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852201206	FD	On-Demand	Reactive	DRD3	52	54
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H](C)O[C@@H](C)C1	ZINC000852201207	FG	On-Demand	Anodyne	CTSK	16	40
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H](C)O[C@@H](C)C1	ZINC000852201208	FG	On-Demand	Anodyne	CTSK	16	40
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	HTR1A	83	43
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	DRD2	70	43
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	DRD4	45	41
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	ADRA1D	79	42
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	HTR2A	19	41
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	ADRA1A	69	42
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	ADRA1B	60	42
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	DRD3	72	43
COc1ccccc1N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852201239	ED	On-Demand	Anodyne	HTR7	58	41
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	HTR1A	83	43
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	DRD2	70	43
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	DRD4	45	41
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	ADRA1D	79	42
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	HTR2A	19	41
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	ADRA1A	69	42
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	ADRA1B	60	42
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	DRD3	72	43
COc1ccccc1N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852201240	ED	On-Demand	Anodyne	HTR7	58	41
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201241	GD	On-Demand	Anodyne	HTR1A	65	43
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201241	GD	On-Demand	Anodyne	DRD2	59	45
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201241	GD	On-Demand	Anodyne	DRD4	34	41
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201241	GD	On-Demand	Anodyne	ADRA1D	60	38
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201241	GD	On-Demand	Anodyne	ADRA1A	53	38
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201241	GD	On-Demand	Anodyne	ADRA1B	42	38
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201241	GD	On-Demand	Anodyne	DRD3	71	45
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201241	GD	On-Demand	Anodyne	HTR7	46	37
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201242	GD	On-Demand	Anodyne	HTR1A	65	43
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201242	GD	On-Demand	Anodyne	DRD2	59	45
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201242	GD	On-Demand	Anodyne	DRD4	34	41
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201242	GD	On-Demand	Anodyne	ADRA1D	60	38
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201242	GD	On-Demand	Anodyne	ADRA1A	53	38
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201242	GD	On-Demand	Anodyne	ADRA1B	42	38
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201242	GD	On-Demand	Anodyne	DRD3	71	45
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852201242	GD	On-Demand	Anodyne	HTR7	46	37
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201243	GD	On-Demand	Anodyne	HTR1A	65	43
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201243	GD	On-Demand	Anodyne	DRD2	59	45
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201243	GD	On-Demand	Anodyne	DRD4	34	41
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201243	GD	On-Demand	Anodyne	ADRA1D	60	38
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201243	GD	On-Demand	Anodyne	ADRA1A	53	38
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201243	GD	On-Demand	Anodyne	ADRA1B	42	38
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201243	GD	On-Demand	Anodyne	DRD3	71	45
COc1ccccc1N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201243	GD	On-Demand	Anodyne	HTR7	46	37
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201244	GD	On-Demand	Anodyne	HTR1A	65	43
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201244	GD	On-Demand	Anodyne	DRD2	59	45
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201244	GD	On-Demand	Anodyne	DRD4	34	41
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201244	GD	On-Demand	Anodyne	ADRA1D	60	38
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201244	GD	On-Demand	Anodyne	ADRA1A	53	38
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201244	GD	On-Demand	Anodyne	ADRA1B	42	38
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201244	GD	On-Demand	Anodyne	DRD3	71	45
COc1ccccc1N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852201244	GD	On-Demand	Anodyne	HTR7	46	37
COC(=O)c1ccc(CNC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)c(F)c1	ZINC000852201253	GH	On-Demand	Anodyne	BDKRB1	28	41
COC(=O)c1ccc(CNC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)c(F)c1	ZINC000852201254	GH	On-Demand	Anodyne	BDKRB1	28	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)C1	ZINC000852201281	FH	On-Demand	Anodyne	GHRHR	43	31
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)C1	ZINC000852201282	FH	On-Demand	Anodyne	GHRHR	43	31
CC(C)(C)N1CC[C@H](NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)C1	ZINC000852201283	FH	On-Demand	Anodyne	GHRHR	43	31
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)C1	ZINC000852201284	FH	On-Demand	Anodyne	GHRHR	43	31
COCCN(CCF)C(=O)NCC1(Cc2ccccc2)CCC1	ZINC000852201296	DG	On-Demand	Anodyne	SLC12A5	50	35
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	HTR1A	68	40
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	DRD2	68	40
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	DRD4	42	42
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	ADRA1D	56	37
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	ADRA1A	50	39
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	ADRA1B	43	37
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	DRD3	71	40
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	HTR7	48	36
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1	ZINC000852201327	ED	On-Demand	Anodyne	ACKR3	63	31
O=C(NCC1SCCS1)NCC1(Cc2ccccc2)CCC1	ZINC000852201336	EH	On-Demand	Anodyne	NPFFR2	16	40
O=C(NCC1SCCS1)NCC1(Cc2ccccc2)CCC1	ZINC000852201336	EH	On-Demand	Anodyne	NPFFR1	15	40
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)C1	ZINC000852201349	GC	On-Demand	Reactive	HTR1A	46	42
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)C1	ZINC000852201349	GC	On-Demand	Reactive	ADRA1D	41	38
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)C1	ZINC000852201349	GC	On-Demand	Reactive	DRD3	47	38
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000852201350	GC	On-Demand	Reactive	HTR1A	46	42
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000852201350	GC	On-Demand	Reactive	ADRA1D	41	38
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1	ZINC000852201350	GC	On-Demand	Reactive	DRD3	47	38
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)C1	ZINC000852201351	GC	On-Demand	Reactive	HTR1A	46	42
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)C1	ZINC000852201351	GC	On-Demand	Reactive	ADRA1D	41	38
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)C1	ZINC000852201351	GC	On-Demand	Reactive	DRD3	47	38
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)C1	ZINC000852201352	GC	On-Demand	Reactive	HTR1A	46	42
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)C1	ZINC000852201352	GC	On-Demand	Reactive	ADRA1D	41	38
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)C1	ZINC000852201352	GC	On-Demand	Reactive	DRD3	47	38
O=C(NCC1(Cc2ccccc2)CCC1)NNC(=O)c1cccc(F)n1	ZINC000852201397	FF	On-Demand	Reactive	HCN1	51	31
O=C(NCC1(Cc2ccccc2)CCC1)NNC(=O)c1cccc(F)n1	ZINC000852201397	FF	On-Demand	Reactive	HCN4	47	31
C#CCCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852201437	DE	On-Demand	Mild	SCN2A	18	45
C#CCCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852201437	DE	On-Demand	Mild	SCN10A	20	45
C#CCCCCNC(=O)N1CCN(c2ccc(OCC)nn2)CC1	ZINC000852201495	ED	On-Demand	Mild	SCD1	26	42
C#CCCCCNC(=O)N1CCN(c2ccc(OCC)nn2)CC1	ZINC000852201495	ED	On-Demand	Mild	SCD	20	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3F)C2)cc1	ZINC000852201496	FF	On-Demand	Clean	MTNR1A	35	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3F)C2)cc1	ZINC000852201496	FF	On-Demand	Clean	MTNR1B	27	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3F)C2)cc1	ZINC000852201496	FF	On-Demand	Clean	EPHX2	24	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3F)C2)cc1	ZINC000852201496	FF	On-Demand	Clean	MCHR1	18	46
C#CCCCCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852201524	DG	On-Demand	Mild	ADRA1D	31	41
C#CCCCCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852201524	DG	On-Demand	Mild	ADRA1A	46	41
C#CCCCCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852201524	DG	On-Demand	Mild	ADRA1B	33	41
C#CCCCCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852201525	DG	On-Demand	Mild	ADRA1D	31	41
C#CCCCCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852201525	DG	On-Demand	Mild	ADRA1A	46	41
C#CCCCCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852201525	DG	On-Demand	Mild	ADRA1B	33	41
C#CCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852201579	ED	On-Demand	Mild	CA2	15	42
C#CCCCCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852201635	EG	On-Demand	Mild	DRD3	43	39
C#CCCCCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852201636	EG	On-Demand	Mild	DRD3	43	39
C#CCCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852201641	DF	On-Demand	Mild	DRD2	16	45
C#CCCCCNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852201641	DF	On-Demand	Mild	DRD3	40	34
COC(=O)N(C)CCNC(=O)NCc1ccc(OC)cc1F	ZINC000852201644	DD	On-Demand	Anodyne	MTNR1A	48	41
C#CCCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852201673	CF	On-Demand	Mild	MTNR1A	32	41
C#CCCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852201673	CF	On-Demand	Mild	MTNR1B	26	41
C#CCCCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852201673	CF	On-Demand	Mild	HNMT	43	37
C#CCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852201692	DE	On-Demand	Mild	MTNR1A	18	45
C#CCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852201692	DE	On-Demand	Mild	MTNR1B	15	45
C#CCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852201693	DE	On-Demand	Mild	MTNR1A	18	45
C#CCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852201693	DE	On-Demand	Mild	MTNR1B	15	45
C#CCCCCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852201698	EH	On-Demand	Mild	KCNH2	41	39
C#CCCCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852201726	EG	On-Demand	Mild	SCD	22	40
C#CCCCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852201726	EG	On-Demand	Mild	TRPM8	21	51
C#CCCCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1OC	ZINC000852201733	CF	On-Demand	Mild	DRD2	19	40
C#CCCCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1OC	ZINC000852201733	CF	On-Demand	Mild	DRD3	32	40
C#CCCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852201734	CF	On-Demand	Mild	DRD4	43	33
C#CCCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852201734	CF	On-Demand	Mild	DRD3	17	42
C#CCCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852201734	CF	On-Demand	Mild	DRD5	15	42
C#CCCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852201734	CF	On-Demand	Mild	MTNR1A	42	40
C#CCCCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852201734	CF	On-Demand	Mild	MTNR1B	40	40
C#CCCCCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852201777	GH	On-Demand	Mild	GPR119	26	44
C#CCCCCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852201778	GH	On-Demand	Mild	GPR119	26	44
C#CCCCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852201779	EF	On-Demand	Mild	SSTR3	31	46
C#CCCCCNC(=O)N[C@@H](CC)Cc1ccc(F)cc1	ZINC000852201843	CG	On-Demand	Mild	GRIA1	44	33
C#CCCCCNC(=O)N[C@@H](CC)Cc1ccc(F)cc1	ZINC000852201843	CG	On-Demand	Mild	LEF	41	31
C#CCCCCNC(=O)N[C@H](CC)Cc1ccc(F)cc1	ZINC000852201844	CG	On-Demand	Mild	GRIA1	44	33
C#CCCCCNC(=O)N[C@H](CC)Cc1ccc(F)cc1	ZINC000852201844	CG	On-Demand	Mild	LEF	41	31
O=C(NCCCc1ccc2c(c1)OCCO2)NCc1ncccn1	ZINC000852201845	ED	On-Demand	Anodyne	NOS2	81	33
C#CCCCCNC(=O)NCCc1ccc(I)cc1	ZINC000852201905	FF	On-Demand	Mild	FOLH1	25	40
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852201918	EG	On-Demand	Anodyne	CTSK	20	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852201919	EG	On-Demand	Anodyne	CTSK	20	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852201920	EG	On-Demand	Anodyne	CTSK	20	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852201921	EG	On-Demand	Anodyne	CTSK	20	42
C#CCCCCNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852201926	CF	On-Demand	Mild	MTNR1A	15	42
O=C(NCCCc1ccc2c(c1)OCCO2)N[C@H]1C=CCC1	ZINC000852201927	DE	On-Demand	Anodyne	LUXR	15	40
O=C(NCCCc1ccc2c(c1)OCCO2)N[C@@H]1C=CCC1	ZINC000852201928	DE	On-Demand	Anodyne	LUXR	15	40
C#CCCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852201997	EE	On-Demand	Mild	ACHE	31	47
C#CCCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852201997	EE	On-Demand	Mild	HTR4	30	40
C#CCCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852201997	EE	On-Demand	Mild	SIGMAR1	23	43
C#CCCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852201997	EE	On-Demand	Mild	SSTR5	40	33
C#CCCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852201997	EE	On-Demand	Mild	CACNA1I	60	40
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852202014	FF	On-Demand	Anodyne	CTSK	18	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852202015	FF	On-Demand	Anodyne	CTSK	18	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852202016	FF	On-Demand	Anodyne	CTSK	18	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852202017	FF	On-Demand	Anodyne	CTSK	18	42
C#CCCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852202024	CG	On-Demand	Mild	ASAH1	40	32
C#CCCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852202025	CG	On-Demand	Mild	ASAH1	40	32
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852202058	GE	On-Demand	Reactive	CTSK	16	40
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852202059	GE	On-Demand	Reactive	CTSK	16	40
O=C(NCCCc1ccc2c(c1)OCCO2)N1CCC(N2CCOC2=O)CC1	ZINC000852202076	GE	On-Demand	Anodyne	NOS2	51	34
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ncccn1	ZINC000852202083	FE	On-Demand	Anodyne	CTSK	33	48
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ncccn1	ZINC000852202084	FE	On-Demand	Anodyne	CTSK	33	48
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCC1SCCS1	ZINC000852202119	GG	On-Demand	Anodyne	CTSK	15	41
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCC1SCCS1	ZINC000852202120	GG	On-Demand	Anodyne	CTSK	15	41
C#CCCCCNC(=O)NC1CC(C)(C)C1	ZINC000852202163	BE	On-Demand	Mild	EPHX2	17	42
C#CCCCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852202165	DG	On-Demand	Mild	DRD4	44	34
C#CCCCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852202166	DG	On-Demand	Mild	DRD4	44	34
O=C(NCCCc1ccc2c(c1)OCCO2)N1CC[C@H](N2CCOC2=O)C1	ZINC000852202167	GD	On-Demand	Anodyne	NOS2	61	33
O=C(NCCCc1ccc2c(c1)OCCO2)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852202168	GD	On-Demand	Anodyne	NOS2	61	33
C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852202225	GF	On-Demand	Anodyne	CALCRL	41	37
C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852202226	GF	On-Demand	Anodyne	CALCRL	41	37
C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852202227	GF	On-Demand	Anodyne	CALCRL	41	37
C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852202228	GF	On-Demand	Anodyne	CALCRL	41	37
CCOc1ccc(C=NOCC(=O)N(C)Cc2ccccc2)cc1	ZINC000852202248	EG	On-Demand	Mild	G6PC	46	42
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(OCC2CC2)c(F)c1	ZINC000852202249	GG	On-Demand	Anodyne	MAPK1	43	39
CCOc1ccc(C=NOCC(=O)Nc2ccc(F)c(Cl)c2)cc1	ZINC000852202251	FH	On-Demand	Mild	FAAH	18	42
CCOc1ccc(C=NOCC(=O)Nc2ccc(F)c(Cl)c2)cc1	ZINC000852202251	FH	On-Demand	Mild	MCHR1	22	40
CCC(CC)(CC)CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852202264	DF	On-Demand	Anodyne	EPHX2	23	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(F)c(F)c2)cc1	ZINC000852202271	EG	On-Demand	Mild	FAAH	19	44
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1	ZINC000852202272	EG	On-Demand	Anodyne	ACACA	26	43
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1	ZINC000852202272	EG	On-Demand	Anodyne	ACACB	26	43
CCOc1ccc(C=NOCc2cccc(Cl)c2)cc1	ZINC000852202287	CI	On-Demand	Mild	MAOB	30	47
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852202296	DF	On-Demand	Anodyne	CHRM1	18	40
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852202296	DF	On-Demand	Anodyne	SLC6A3	49	45
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852202296	DF	On-Demand	Anodyne	ACHP_LYMST	17	47
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852202296	DF	On-Demand	Anodyne	Q8WSF8_APLCA	35	47
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852202297	DF	On-Demand	Anodyne	CHRM1	18	40
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852202297	DF	On-Demand	Anodyne	SLC6A3	49	45
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852202297	DF	On-Demand	Anodyne	ACHP_LYMST	17	47
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852202297	DF	On-Demand	Anodyne	Q8WSF8_APLCA	35	47
NC(=O)[C@](O)(CN1CCN2CC(F)(F)C[C@H]2C1)c1ccccc1	ZINC000852202302	EC	On-Demand	Anodyne	CHRM1	15	43
NC(=O)[C@](O)(CN1CCN2CC(F)(F)C[C@H]2C1)c1ccccc1	ZINC000852202302	EC	On-Demand	Anodyne	CHRM3	28	43
NC(=O)[C@@](O)(CN1CCN2CC(F)(F)C[C@H]2C1)c1ccccc1	ZINC000852202303	EC	On-Demand	Anodyne	CHRM1	15	43
NC(=O)[C@@](O)(CN1CCN2CC(F)(F)C[C@H]2C1)c1ccccc1	ZINC000852202303	EC	On-Demand	Anodyne	CHRM3	28	43
CCOc1ccc(C=NOCC(=O)Nc2ccc(C)c(C)c2)cc1	ZINC000852202489	EH	On-Demand	Mild	FAAH	19	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(C)C)cc2)cc1	ZINC000852202693	EI	On-Demand	Mild	SCN2A	15	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(C)C)cc2)cc1	ZINC000852202693	EI	On-Demand	Mild	FAAH	21	45
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NC3CC=CC3)CC2)C1	ZINC000852202707	GH	On-Demand	Anodyne	GPR119	20	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NC3CC=CC3)CC2)C1	ZINC000852202708	GH	On-Demand	Anodyne	GPR119	20	42
COc1ccc(N2CC[C@H](NC(=O)NC3CC=CC3)C2)cc1	ZINC000852202715	DE	On-Demand	Clean	MTNR1A	16	50
COc1ccc(N2CC[C@H](NC(=O)NC3CC=CC3)C2)cc1	ZINC000852202715	DE	On-Demand	Clean	MTNR1B	17	50
COc1ccc(N2CC[C@H](NC(=O)NC3CC=CC3)C2)cc1	ZINC000852202715	DE	On-Demand	Clean	EPHX2	23	45
COc1ccc(N2CC[C@H](NC(=O)NC3CC=CC3)C2)cc1	ZINC000852202715	DE	On-Demand	Clean	MCHR1	15	43
C[C@@H](Cc1ccccc1Br)NC(=O)NCC1SCCS1	ZINC000852202723	GG	On-Demand	Anodyne	ANPEP	15	44
C[C@H](Cc1ccccc1Br)NC(=O)NCC1SCCS1	ZINC000852202724	GG	On-Demand	Anodyne	ANPEP	15	44
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CC=CC2)O1	ZINC000852202791	FD	On-Demand	Reactive	DRD4	24	43
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CC=CC2)O1	ZINC000852202791	FD	On-Demand	Reactive	SIGMAR1	25	41
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C	ZINC000852202800	DC	On-Demand	Anodyne	CHRM2	19	40
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C	ZINC000852202800	DC	On-Demand	Anodyne	CHRM3	28	40
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C	ZINC000852202801	DC	On-Demand	Anodyne	CHRM2	19	40
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C	ZINC000852202801	DC	On-Demand	Anodyne	CHRM3	28	40
CCOc1ccc(C=NOCC(=O)NCc2ccc(Cl)cc2)cc1	ZINC000852202809	EG	On-Demand	Mild	PDS	57	39
CCOc1ccc(C=NOCC(=O)Nc2ccc(Br)cc2)cc1	ZINC000852202814	GH	On-Demand	Mild	FAAH	21	46
CCOc1ccc(C=NOCC(=O)Nc2ccccc2C)cc1	ZINC000852202821	DG	On-Demand	Mild	FAAH	19	40
CC(C)(C)OC(=O)CCN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCOCC1	ZINC000852202826	GD	On-Demand	Anodyne	AMY2	56	32
CC(C)(C)OC(=O)CCN(C[C@](O)(C(N)=O)c1ccccc1)C1CCOCC1	ZINC000852202827	GD	On-Demand	Anodyne	AMY2	56	32
CCOc1ccc(C=NOCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000852202828	FI	On-Demand	Mild	PDS	43	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NC3CC=CC3)C2)CC1	ZINC000852202845	GH	On-Demand	Anodyne	GPR119	29	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NC3CC=CC3)C2)CC1	ZINC000852202846	GH	On-Demand	Anodyne	GPR119	29	45
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	ZINC000852202881	GH	On-Demand	Mild	ADORA2B	21	41
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	ZINC000852202881	GH	On-Demand	Mild	P2RY1	41	37
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	ZINC000852202881	GH	On-Demand	Mild	FAAH	21	46
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	ZINC000852202881	GH	On-Demand	Mild	EPHX2	47	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	ZINC000852202881	GH	On-Demand	Mild	MCHR1	17	41
CCOc1ccc(C=NOCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000852203038	FH	On-Demand	Mild	EPHX2	83	50
C[C@H](Cc1ccccc1Br)NC(=O)NCc1ncccn1	ZINC000852203042	EF	On-Demand	Anodyne	ANPEP	28	52
C[C@@H](Cc1ccccc1Br)NC(=O)NCc1ncccn1	ZINC000852203043	EF	On-Demand	Anodyne	ANPEP	28	52
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2ccc(F)cc2)[C@@H]1C	ZINC000852203062	DF	On-Demand	Anodyne	SLC6A3	44	48
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2ccc(F)cc2)[C@@H]1C	ZINC000852203063	DF	On-Demand	Anodyne	SLC6A3	44	48
CCOc1ccc(C=NOCC(=O)Nc2ccc(SC(F)F)cc2)cc1	ZINC000852203123	GI	On-Demand	Mild	FAAH	20	44
CCOc1ccc(C=NOCc2cccc([N+](=O)[O-])c2)cc1	ZINC000852203152	DH	On-Demand	Mild	CACNA1D	49	33
CCOc1ccc(C=NOCc2cccc([N+](=O)[O-])c2)cc1	ZINC000852203152	DH	On-Demand	Mild	ACR	17	41
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1C	ZINC000852203217	CD	On-Demand	Anodyne	PDE8B	49	34
COC(=O)N(C)CCNC(=O)N[C@H](C)Cc1ccccc1Br	ZINC000852203218	FE	On-Demand	Anodyne	ANPEP	15	43
COC(=O)N(C)CCNC(=O)N[C@@H](C)Cc1ccccc1Br	ZINC000852203219	FE	On-Demand	Anodyne	ANPEP	15	43
CCOc1ccc(C=NOCC(=O)Nc2cccc(OC)c2)cc1	ZINC000852203257	EG	On-Demand	Mild	MTNR1A	40	46
CCOc1ccc(C=NOCC(=O)Nc2cccc(OC)c2)cc1	ZINC000852203257	EG	On-Demand	Mild	MTNR1B	41	48
CCOc1ccc(C=NOCC(=O)Nc2cccc(OC)c2)cc1	ZINC000852203257	EG	On-Demand	Mild	KCNK3	43	40
CCOc1ccc(C=NOCC(=O)Nc2cccc(OC)c2)cc1	ZINC000852203257	EG	On-Demand	Mild	KCNK9	37	40
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1-n1cccn1	ZINC000852203334	GF	On-Demand	Anodyne	CALCRL	41	37
NC(=O)[C@@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203364	CD	On-Demand	Anodyne	CHRM2	23	41
NC(=O)[C@@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203364	CD	On-Demand	Anodyne	CHRM1	21	41
NC(=O)[C@@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203364	CD	On-Demand	Anodyne	CHRM3	35	41
NC(=O)[C@@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203364	CD	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203364	CD	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203366	CD	On-Demand	Anodyne	CHRM2	23	41
NC(=O)[C@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203366	CD	On-Demand	Anodyne	CHRM1	21	41
NC(=O)[C@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203366	CD	On-Demand	Anodyne	CHRM3	35	41
NC(=O)[C@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203366	CD	On-Demand	Anodyne	AMY2	46	31
NC(=O)[C@](O)(CN1CC[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852203366	CD	On-Demand	Anodyne	CYP2J2	43	30
Fc1cccc(F)c1N1CCN(CCOC(F)F)CC1	ZINC000852203380	CE	On-Demand	Anodyne	SLC6A4	19	46
Fc1cccc(F)c1N1CCN(CCOC(F)F)CC1	ZINC000852203380	CE	On-Demand	Anodyne	SLC6A3	41	46
COC(=O)N(C)CCNC(=O)NCCc1ccc(OC)cc1Cl	ZINC000852203393	ED	On-Demand	Anodyne	NQO2	37	44
COC(=O)N(C)CCNC(=O)NCCc1ccc(OC)cc1Cl	ZINC000852203393	ED	On-Demand	Anodyne	MTNR1A	110	49
COC(=O)N(C)CCNC(=O)NCCc1ccc(OC)cc1Cl	ZINC000852203393	ED	On-Demand	Anodyne	MTNR1B	79	44
CCOc1ccc(C=NOCC(=O)NCc2ccccc2)cc1	ZINC000852203410	DF	On-Demand	Mild	SCN2A	18	42
CCOc1ccc(C=NOCC(=O)NCc2ccccc2)cc1	ZINC000852203410	DF	On-Demand	Mild	FAAH	21	42
CCOc1ccc(C=NOCC(=O)NCc2ccccc2)cc1	ZINC000852203410	DF	On-Demand	Mild	PDS	85	46
O=C(NCCc1ccc(Cl)nc1)NCCC1SCCS1	ZINC000852203430	EF	On-Demand	Anodyne	NACHRBETA2	48	36
O=C(NCCc1ccc(Cl)nc1)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852203432	GH	On-Demand	Anodyne	GPBAR1	19	44
O=C(NCCc1ccc(Cl)nc1)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852203434	GH	On-Demand	Anodyne	GPBAR1	19	44
COC(=O)N(C)CCNC(=O)NCCOc1ccc(C(F)(F)F)cn1	ZINC000852203463	FD	On-Demand	Anodyne	LIPE	20	42
O=C(CN1CCN(c2c(F)cccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852203484	FF	On-Demand	Anodyne	DRD4	23	47
O=C(CN1CCN(c2c(F)cccc2F)CC1)Nc1ccc(Cl)nc1	ZINC000852203484	FF	On-Demand	Anodyne	SLC27A1	68	41
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C	ZINC000852203490	FF	On-Demand	Bother	SLC27A4	45	33
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C	ZINC000852203492	FF	On-Demand	Bother	SLC27A4	45	33
N#CC1(CNC(=O)NCCc2ccc(Cl)nc2)CCCCC1	ZINC000852203496	DG	On-Demand	Mild	NACHRBETA2	45	33
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852203509	GF	On-Demand	Anodyne	ACHE	24	45
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852203509	GF	On-Demand	Anodyne	SIGMAR1	24	44
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852203509	GF	On-Demand	Anodyne	SSTR5	54	42
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852203509	GF	On-Demand	Anodyne	MCHR1	23	42
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852203509	GF	On-Demand	Anodyne	CACNA1I	63	48
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852203509	GF	On-Demand	Anodyne	NACHRBETA2	40	34
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852203510	DG	On-Demand	Anodyne	CHRM1	24	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852203510	DG	On-Demand	Anodyne	SLC6A3	61	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852203510	DG	On-Demand	Anodyne	CHRM3	16	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852203510	DG	On-Demand	Anodyne	ACHP_LYMST	18	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@@H](O)c2ccccc2)[C@@H]1C	ZINC000852203510	DG	On-Demand	Anodyne	Q8WSF8_APLCA	37	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852203511	DG	On-Demand	Anodyne	CHRM1	24	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852203511	DG	On-Demand	Anodyne	SLC6A3	61	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852203511	DG	On-Demand	Anodyne	CHRM3	16	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852203511	DG	On-Demand	Anodyne	ACHP_LYMST	18	41
CCOC(=O)[C@@H]1CC[C@H](C)N(CC[C@H](O)c2ccccc2)[C@@H]1C	ZINC000852203511	DG	On-Demand	Anodyne	Q8WSF8_APLCA	37	41
CCOc1ccc(C=NOCC(=O)Nc2ccc3ccccc3c2)cc1	ZINC000852203513	EI	On-Demand	Mild	FAAH	20	45
CCOc1ccc(C=NOCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000852203521	JE	On-Demand	Mild	CNR2	15	55
CCOc1ccc(C=NOCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000852203521	JE	On-Demand	Mild	NR1H4	20	44
N#Cc1ccc(CCN2CCc3cc(Cl)nnc3C2)cc1	ZINC000852203566	CF	On-Demand	Mild	KCNJ1	44	51
CCOc1ccc(C=NOCC(=O)N2c3ccccc3C[C@@H]2C)cc1	ZINC000852203590	EG	On-Demand	Mild	DRD4	24	46
CCOc1ccc(C=NOCC(=O)N2c3ccccc3C[C@@H]2C)cc1	ZINC000852203590	EG	On-Demand	Mild	TPP2	54	32
CCOc1ccc(C=NOCC(=O)N2c3ccccc3C[C@H]2C)cc1	ZINC000852203591	EG	On-Demand	Mild	DRD4	24	46
CCOc1ccc(C=NOCC(=O)N2c3ccccc3C[C@H]2C)cc1	ZINC000852203591	EG	On-Demand	Mild	TPP2	54	32
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](Oc2ccccc2)C1	ZINC000852203596	EF	On-Demand	Anodyne	ADAM9	54	34
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](Oc2ccccc2)C1	ZINC000852203597	EF	On-Demand	Anodyne	ADAM9	54	34
O=[N+]([O-])c1ccccc1CN(Cc1cnon1)[C@@H]1CC[C@@H](O)CC1	ZINC000852203603	EE	On-Demand	Bother	COLA	98	33
O=C(NCCc1ccc(Cl)nc1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852203606	GH	On-Demand	Anodyne	ADRB1	21	43
O=C(NCCc1ccc(Cl)nc1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852203607	GH	On-Demand	Anodyne	ADRB1	21	43
CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(=O)oc3cc(OC)ccc23)[C@@H]1C	ZINC000852203616	FG	On-Demand	Anodyne	CYP11B1	16	40
CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(=O)oc3cc(OC)ccc23)[C@@H]1C	ZINC000852203616	FG	On-Demand	Anodyne	MAOB	25	41
C[C@@]1(C#N)CCN(C(=O)NCCc2ccc(Cl)nc2)C1	ZINC000852203624	CE	On-Demand	Mild	NACHRBETA2	46	33
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCc1ccc(Cl)nc1	ZINC000852203641	DG	On-Demand	Anodyne	NACHRBETA2	40	34
O=C1CC[C@H](CN(Cc2ccccc2[N+](=O)[O-])[C@@H]2CC[C@@H](O)CC2)O1	ZINC000852203679	EE	On-Demand	Bother	COLA	91	35
O=C1CC[C@@H](CN(Cc2ccccc2[N+](=O)[O-])[C@@H]2CC[C@@H](O)CC2)O1	ZINC000852203681	EE	On-Demand	Bother	COLA	91	35
O=C1CC[C@@H](CN2CC[C@H](Oc3ccccc3)C2)O1	ZINC000852203692	CD	On-Demand	Anodyne	HRH1	16	41
O=C1CC[C@@H](CN2CC[C@H](Oc3ccccc3)C2)O1	ZINC000852203692	CD	On-Demand	Anodyne	CCR3	17	41
O=C1CC[C@H](CN2CC[C@H](Oc3ccccc3)C2)O1	ZINC000852203694	CD	On-Demand	Anodyne	HRH1	16	41
O=C1CC[C@H](CN2CC[C@H](Oc3ccccc3)C2)O1	ZINC000852203694	CD	On-Demand	Anodyne	CCR3	17	41
CCOc1ccc(C=NOCC(=O)NC2CCCCCCC2)cc1	ZINC000852203695	EH	On-Demand	Mild	FAAH	27	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(Cl)nc3)C2)cc1	ZINC000852203703	FF	On-Demand	Clean	MCHR1	19	48
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(Cl)nc3)C2)cc1	ZINC000852203703	FF	On-Demand	Clean	PROKR1	50	32
O=[N+]([O-])c1ccccc1CN(Cc1cccc(F)n1)[C@@H]1CC[C@@H](O)CC1	ZINC000852203724	FG	On-Demand	Bother	COLA	103	34
CCOc1ccc(C=NOCC(=O)Nc2ccc(I)cc2)cc1	ZINC000852203744	HH	On-Demand	Mild	FAAH	21	46
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852203758	GE	On-Demand	Anodyne	CACNA1I	54	39
O=C(NCCc1ccc(Cl)nc1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852203799	GF	On-Demand	Anodyne	NACHRBETA2	34	40
O=C(NCCc1ccc(Cl)nc1)N1CCC[C@H](C2CCC2)C1	ZINC000852203811	DG	On-Demand	Anodyne	GPBAR1	20	42
O=C(NCCc1ccc(Cl)nc1)N1CCC[C@H](C2CCC2)C1	ZINC000852203811	DG	On-Demand	Anodyne	NACHRBETA2	45	35
O=C(NCCc1ccc(Cl)nc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852203813	DG	On-Demand	Anodyne	GPBAR1	20	42
O=C(NCCc1ccc(Cl)nc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852203813	DG	On-Demand	Anodyne	NACHRBETA2	45	35
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@H](Oc3ccccc3)C2)C1	ZINC000852203855	FF	On-Demand	Anodyne	CCR3	18	47
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@H](Oc3ccccc3)C2)C1	ZINC000852203857	FF	On-Demand	Anodyne	CCR3	18	47
COCCN(CCF)C(=O)NCCc1ccc(OC)cc1Cl	ZINC000852203885	EF	On-Demand	Anodyne	MTNR1A	71	40
COCCN(CCF)C(=O)NCCc1ccc(OC)cc1Cl	ZINC000852203885	EF	On-Demand	Anodyne	MTNR1B	52	39
COc1ccc(N2CC[C@H](NC(=O)NCCOc3ncccc3Cl)C2)cc1	ZINC000852203893	GF	On-Demand	Clean	DRD4	42	33
COc1ccc(N2CC[C@H](NC(=O)NCCOc3ncccc3Cl)C2)cc1	ZINC000852203893	GF	On-Demand	Clean	PDK1	42	35
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC)c(Cl)c2)cc1	ZINC000852203950	FH	On-Demand	Mild	ENPP1	62	33
CCOC(=O)[C@@H]1CC[C@H](C)N(CC(=O)Nc2cccnc2Cl)[C@@H]1C	ZINC000852203953	FF	On-Demand	Anodyne	G2YM83_BOTF4	71	37
O=C(NCCc1ccc(Cl)nc1)NCCc1ccoc1	ZINC000852203955	CE	On-Demand	Anodyne	NACHRBETA2	50	36
O=C(NCCc1ccc(Cl)nc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852203959	GI	On-Demand	Anodyne	KCNH2	41	41
C#C[C@H](NC(=O)NCCc1ccc(OC)cc1Cl)C1CCOCC1	ZINC000852203977	FF	On-Demand	Mild	MTNR1A	77	43
C#C[C@H](NC(=O)NCCc1ccc(OC)cc1Cl)C1CCOCC1	ZINC000852203977	FF	On-Demand	Mild	MTNR1B	59	37
C#C[C@@H](NC(=O)NCCc1ccc(OC)cc1Cl)C1CCOCC1	ZINC000852203978	FF	On-Demand	Mild	MTNR1A	77	43
C#C[C@@H](NC(=O)NCCc1ccc(OC)cc1Cl)C1CCOCC1	ZINC000852203978	FF	On-Demand	Mild	MTNR1B	59	37
O=C(NCCc1ccc(Cl)nc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852203986	CE	On-Demand	Anodyne	NACHRBETA2	41	35
O=C(NCCc1ccc(Cl)nc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852203987	CE	On-Demand	Anodyne	NACHRBETA2	41	35
O=C(NCCc1ccc(Cl)nc1)N1CC[C@H]2C[C@H]2C1	ZINC000852203988	CE	On-Demand	Anodyne	NACHRBETA2	41	35
O=C(NCCc1ccc(Cl)nc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852203989	CE	On-Demand	Anodyne	NACHRBETA2	41	35
O=C(NCCc1ccc(Cl)nc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852203993	FF	On-Demand	Anodyne	SLC6A5	19	44
O=C(NCCc1ccc(Cl)nc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852203994	FF	On-Demand	Anodyne	SLC6A5	19	44
O=C(NCCc1ccc(Cl)nc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852204007	DD	On-Demand	Anodyne	NACHRBETA2	44	33
O=C(NCCc1ccc(Cl)nc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852204008	DD	On-Demand	Anodyne	NACHRBETA2	44	33
O=C(NCCc1ccc(Cl)nc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852204009	DD	On-Demand	Anodyne	NACHRBETA2	44	33
O=C(NCCc1ccc(Cl)nc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852204010	DD	On-Demand	Anodyne	NACHRBETA2	44	33
O=C(NCCOc1ccc(C(F)(F)F)cn1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852204051	GD	On-Demand	Anodyne	LIPE	16	42
O=C(NCCOc1ccc(C(F)(F)F)cn1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852204053	GD	On-Demand	Anodyne	LIPE	16	42
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852204055	CC	On-Demand	Reactive	HCN1	60	36
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852204055	CC	On-Demand	Reactive	HCN4	51	33
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@](O)(C(N)=O)c2ccccc2)[C@@H]1C	ZINC000852204100	ED	On-Demand	Anodyne	AMY2	55	32
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@](O)(C(N)=O)c2ccccc2)[C@@H]1C	ZINC000852204102	ED	On-Demand	Anodyne	AMY2	55	32
O=C(NCCc1ccc(Cl)nc1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852204106	CF	On-Demand	Anodyne	NACHRBETA2	48	34
CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc(Cl)nc2)[C@@H]1C	ZINC000852204123	DG	On-Demand	Anodyne	NACHRBETA2	51	38
CCOc1ccc(C=NOCC(=O)Nc2ccccc2)cc1	ZINC000852204142	CG	On-Demand	Mild	LTA4H	38	40
CCOc1ccc(C=NOCC(=O)Nc2ccccc2)cc1	ZINC000852204142	CG	On-Demand	Mild	FAAH	23	52
COC(=O)c1ccc2nc(CN3CCc4cc(Cl)nnc4C3)[nH]c2c1	ZINC000852204143	FE	On-Demand	Anodyne	NOD2	40	36
O=C(CN1CC[C@H](Oc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852204148	EF	On-Demand	Anodyne	DRD4	18	40
O=C(CN1CC[C@H](Oc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852204148	EF	On-Demand	Anodyne	KCNH2	17	43
O=C(CN1CC[C@H](Oc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852204148	EF	On-Demand	Anodyne	CHRM3	16	43
O=C(CN1CC[C@H](Oc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852204148	EF	On-Demand	Anodyne	LTA4H	38	42
O=C(CN1CC[C@H](Oc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852204148	EF	On-Demand	Anodyne	CCR3	40	42
O=C(NCc1ccccc1)[C@H]1CCN(CC2=NS(=O)(=O)c3ccccc32)C1	ZINC000852204180	GD	On-Demand	Anodyne	SIGMAR1	23	57
O=C(NCc1ccccc1)[C@@H]1CCN(CC2=NS(=O)(=O)c3ccccc32)C1	ZINC000852204181	GD	On-Demand	Anodyne	SIGMAR1	23	57
O=C(NCCc1ccc(Cl)nc1)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852204201	FD	On-Demand	Anodyne	GPBAR1	20	40
O=C(NCCc1ccc(Cl)nc1)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852204203	FD	On-Demand	Anodyne	GPBAR1	20	40
CCOc1ccc(C=NOCc2cccc(C(F)(F)F)c2)cc1	ZINC000852204208	DJ	On-Demand	Mild	ADCYAP1R1	41	46
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204216	ED	On-Demand	Anodyne	CHRM2	30	65
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204216	ED	On-Demand	Anodyne	CHRM1	27	42
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204216	ED	On-Demand	Anodyne	CHRM4	23	42
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204216	ED	On-Demand	Anodyne	CHRM5	18	42
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204216	ED	On-Demand	Anodyne	CHRM3	56	65
NC(=O)[C@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204216	ED	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204218	ED	On-Demand	Anodyne	CHRM2	30	65
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204218	ED	On-Demand	Anodyne	CHRM1	27	42
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204218	ED	On-Demand	Anodyne	CHRM4	23	42
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204218	ED	On-Demand	Anodyne	CHRM5	18	42
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204218	ED	On-Demand	Anodyne	CHRM3	56	65
NC(=O)[C@@](O)(CN1CC[C@H](Oc2ccccc2)C1)c1ccccc1	ZINC000852204218	ED	On-Demand	Anodyne	CYP2J2	47	33
Fc1cccc(CN2CC[C@H](Oc3ccccc3)C2)n1	ZINC000852204259	CF	On-Demand	Anodyne	SCN5A	72	38
C#CC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1	ZINC000852204265	FG	On-Demand	Mild	SLC18A3	49	35
C#CC1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@@H]2O)CC1	ZINC000852204266	FG	On-Demand	Mild	SLC18A3	49	35
C#CC1CCN([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1	ZINC000852204269	FG	On-Demand	Mild	SLC18A3	49	35
C#CC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3[C@H]2O)CC1	ZINC000852204270	FG	On-Demand	Mild	SLC18A3	49	35
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C[C@@H]1CCC(=O)O1	ZINC000852204278	CE	On-Demand	Anodyne	CCR5	43	31
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C[C@H]1CCC(=O)O1	ZINC000852204281	CE	On-Demand	Anodyne	CCR5	43	31
O=C(NC1CC=CC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852204350	GF	On-Demand	Anodyne	EPHX2	28	44
O=C(NCCc1ccc(Cl)nc1)NCc1cccnc1N1CCCC1	ZINC000852204410	FF	On-Demand	Anodyne	SCN2A	20	49
O=C(NCCc1ccc(Cl)nc1)NCc1cccnc1N1CCCC1	ZINC000852204410	FF	On-Demand	Anodyne	SCN10A	29	49
O=C(NCCc1ccc(Cl)nc1)NCc1cccnc1N1CCCC1	ZINC000852204410	FF	On-Demand	Anodyne	GPBAR1	15	46
O=C(NCCc1ccc(Cl)nc1)NCc1cccnc1N1CCCC1	ZINC000852204410	FF	On-Demand	Anodyne	NAMPT	15	40
O=C(NCCc1ccc(Cl)nc1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852204427	GH	On-Demand	Anodyne	SCD1	19	42
O=C(NCCc1ccc(Cl)nc1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852204427	GH	On-Demand	Anodyne	TRPM8	18	47
O=C(NCCc1ccc(Cl)nc1)N1CCC[C@H](CCF)C1	ZINC000852204445	DG	On-Demand	Anodyne	GPBAR1	22	42
O=C(NCCc1ccc(Cl)nc1)N1CCC[C@@H](CCF)C1	ZINC000852204446	DG	On-Demand	Anodyne	GPBAR1	22	42
CCOc1ccc(C=NOCC(=O)Nc2cc(C)cc(C)c2)cc1	ZINC000852204447	EH	On-Demand	Mild	SCN10A	31	47
CC(=O)NCCN(C)Cc1cccc(F)n1	ZINC000852204483	BC	On-Demand	Anodyne	MTNR1A	40	40
CC(=O)NCCN(C)Cc1cccc(F)n1	ZINC000852204483	BC	On-Demand	Anodyne	MTNR1B	35	40
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2cccc(F)c2)[C@@H]1C	ZINC000852204518	DF	On-Demand	Anodyne	SLC6A3	20	40
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2cccc(F)c2)[C@@H]1C	ZINC000852204519	DF	On-Demand	Anodyne	SLC6A3	20	40
O=C(NCCc1ccc(Cl)nc1)N1CCc2nccnc2C1	ZINC000852204530	DD	On-Demand	Anodyne	MAPK1	40	41
O=C(NCCc1ccc(Cl)nc1)N1CCc2nccnc2C1	ZINC000852204530	DD	On-Demand	Anodyne	NACHRBETA2	47	34
CCOC(=O)[C@@H]1CC[C@H](C)N(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H]1C	ZINC000852204584	GD	On-Demand	Reactive	KCNK3	50	35
CCOC(=O)[C@@H]1CC[C@H](C)N(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H]1C	ZINC000852204584	GD	On-Demand	Reactive	KCNK9	40	35
C#CCOCCN1CCN(c2c(F)cccc2F)CC1	ZINC000852204594	CD	On-Demand	Mild	DRD2	19	40
O=C(NCCc1ccc(Cl)nc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852204596	FF	On-Demand	Anodyne	CCR3	70	39
O=C(NCCc1ccc(Cl)nc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852204599	FF	On-Demand	Anodyne	CCR3	70	39
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(CC2CC2)CC1	ZINC000852204622	FF	On-Demand	Anodyne	CCR3	41	41
O=C(NCCc1ccc(Cl)nc1)NCC1CCN(CC2CC2)CC1	ZINC000852204622	FF	On-Demand	Anodyne	CACNA1I	67	43
O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1ccccn1)[C@@H]1CC[C@@H](O)CC1	ZINC000852204639	FF	On-Demand	Bother	COLA	106	35
O=[N+]([O-])c1ccccc1CN(C[C@H](O)c1ccccn1)[C@@H]1CC[C@@H](O)CC1	ZINC000852204642	FF	On-Demand	Bother	COLA	106	35
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C	ZINC000852204662	FF	On-Demand	Bother	CACNA1C	64	44
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C	ZINC000852204662	FF	On-Demand	Bother	CACNA1D	90	37
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C	ZINC000852204664	FF	On-Demand	Bother	CACNA1C	64	44
CCOC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C	ZINC000852204664	FF	On-Demand	Bother	CACNA1D	90	37
O=C(NCCOc1ccc(C(F)(F)F)cn1)N[C@@H]1C=CCC1	ZINC000852204667	DE	On-Demand	Anodyne	EPHX2	15	40
O=C(NCCOc1ccc(C(F)(F)F)cn1)N[C@H]1C=CCC1	ZINC000852204669	DE	On-Demand	Anodyne	EPHX2	15	40
FC(F)OCCN1CC[C@H](Oc2ccccc2)C1	ZINC000852204681	CE	On-Demand	Anodyne	SLC6A3	50	41
FC(F)OCCN1CC[C@H](Oc2ccccc2)C1	ZINC000852204681	CE	On-Demand	Anodyne	LTA4H	22	40
CCOc1ccc(C=NOCC(=O)N2CCC(Cc3ccccc3)CC2)cc1	ZINC000852204684	GH	On-Demand	Mild	GRIN2B	77	48
CCOc1ccc(C=NOCC(=O)N2CCC(Cc3ccccc3)CC2)cc1	ZINC000852204684	GH	On-Demand	Mild	LTA4H	23	40
CCOc1ccc(C=NOCC(=O)N2CCC(Cc3ccccc3)CC2)cc1	ZINC000852204684	GH	On-Demand	Mild	SIGMAR1	23	44
CCOc1ccc(C=NOCC(=O)N2CCC(Cc3ccccc3)CC2)cc1	ZINC000852204684	GH	On-Demand	Mild	CCR3	36	42
O=C(NCCc1ccc(Cl)nc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852204699	EG	On-Demand	Anodyne	EPHX2	24	49
O=C(NCCc1ccc(Cl)nc1)N1CCC(C2CCC2)CC1	ZINC000852204714	DG	On-Demand	Anodyne	EPHX2	17	40
O=C(NCCc1ccc(Cl)nc1)N1CCC(C2CCC2)CC1	ZINC000852204714	DG	On-Demand	Anodyne	NACHRBETA2	47	36
CCOC(=O)[C@@H]1CC[C@H](C)N(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C	ZINC000852204715	FD	On-Demand	Anodyne	CA2	74	42
CCOC(=O)[C@@H]1CC[C@H](C)N(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C	ZINC000852204715	FD	On-Demand	Anodyne	CA1	67	39
CCOC(=O)[C@@H]1CC[C@H](C)N(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C	ZINC000852204715	FD	On-Demand	Anodyne	CA7	62	39
CCOC(=O)[C@@H]1CC[C@H](C)N(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C	ZINC000852204715	FD	On-Demand	Anodyne	CA4	45	40
CCOC(=O)[C@@H]1CC[C@H](C)N(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C	ZINC000852204715	FD	On-Demand	Anodyne	CA14	49	39
CCOC(=O)[C@@H]1CC[C@H](C)N(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C	ZINC000852204715	FD	On-Demand	Anodyne	CA12	53	39
CCOC(=O)[C@@H]1CC[C@H](C)N(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]1C	ZINC000852204715	FD	On-Demand	Anodyne	CA9	61	39
C#CCOCCN1CC[C@H](Oc2ccccc2)C1	ZINC000852204756	BD	On-Demand	Mild	SLC6A1	45	39
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852204781	FD	On-Demand	Anodyne	CCR5	78	35
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852204782	FD	On-Demand	Anodyne	CCR5	78	35
C#CC1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1	ZINC000852204789	CF	On-Demand	Mild	SLC6A3	26	45
C#CC1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1	ZINC000852204790	CF	On-Demand	Mild	SLC6A3	26	45
CC1(C)CCC[C@@H]1[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204792	EF	On-Demand	Anodyne	CHRM3	41	39
CC1(C)CCC[C@@H]1[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204792	EF	On-Demand	Anodyne	AMY2	43	29
CC1(C)CCC[C@@H]1[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204792	EF	On-Demand	Anodyne	CYP2J2	48	34
CC1(C)CCC[C@@H]1[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204793	EF	On-Demand	Anodyne	CHRM3	41	39
CC1(C)CCC[C@@H]1[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204793	EF	On-Demand	Anodyne	AMY2	43	29
CC1(C)CCC[C@@H]1[C@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204793	EF	On-Demand	Anodyne	CYP2J2	48	34
CC1(C)CCC[C@@H]1[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204794	EF	On-Demand	Anodyne	CHRM3	41	39
CC1(C)CCC[C@@H]1[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204794	EF	On-Demand	Anodyne	AMY2	43	29
CC1(C)CCC[C@@H]1[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204794	EF	On-Demand	Anodyne	CYP2J2	48	34
CC1(C)CCC[C@@H]1[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204795	EF	On-Demand	Anodyne	CHRM3	41	39
CC1(C)CCC[C@@H]1[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204795	EF	On-Demand	Anodyne	AMY2	43	29
CC1(C)CCC[C@@H]1[C@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852204795	EF	On-Demand	Anodyne	CYP2J2	48	34
CCOc1ccc(C=NOCC(=O)Nc2cc(OC)cc(OC)c2)cc1	ZINC000852204818	FG	On-Demand	Mild	AHR	21	47
CCOc1ccc(C=NOCC(=O)Nc2cc(OC)cc(OC)c2)cc1	ZINC000852204818	FG	On-Demand	Mild	MTNR1A	17	40
CCOc1ccc(C=NOCC(=O)Nc2cc(OC)cc(OC)c2)cc1	ZINC000852204818	FG	On-Demand	Mild	MTNR1B	22	40
CCOc1ccc(C=NOCC(=O)Nc2cc(OC)cc(OC)c2)cc1	ZINC000852204818	FG	On-Demand	Mild	FAAH	18	41
CCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCC1	ZINC000852204858	DE	On-Demand	Reactive	HCN1	52	32
CCC1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCC1	ZINC000852204858	DE	On-Demand	Reactive	HCN4	50	32
CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(=O)oc3cc(O)ccc23)[C@@H]1C	ZINC000852204889	FG	On-Demand	Anodyne	HSD17B3	33	50
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204907	FC	On-Demand	Anodyne	SIGMAR1	24	58
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204907	FC	On-Demand	Anodyne	CACNA1G	43	43
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204907	FC	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@@](O)(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204907	FC	On-Demand	Anodyne	TMPRSS11D	60	34
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204910	FC	On-Demand	Anodyne	SIGMAR1	24	58
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204910	FC	On-Demand	Anodyne	CACNA1G	43	43
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204910	FC	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@@](O)(CN1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204910	FC	On-Demand	Anodyne	TMPRSS11D	60	34
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204913	FC	On-Demand	Anodyne	SIGMAR1	24	58
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204913	FC	On-Demand	Anodyne	CACNA1G	43	43
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204913	FC	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@](O)(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204913	FC	On-Demand	Anodyne	TMPRSS11D	60	34
NC(=O)[C@](O)(CN1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204917	FC	On-Demand	Anodyne	SIGMAR1	24	58
NC(=O)[C@](O)(CN1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204917	FC	On-Demand	Anodyne	CACNA1G	43	43
NC(=O)[C@](O)(CN1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204917	FC	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@](O)(CN1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccccc1	ZINC000852204917	FC	On-Demand	Anodyne	TMPRSS11D	60	34
N#CC[C@H]1CCCN(C(=O)NCCc2ccc(Cl)nc2)C1	ZINC000852204943	DF	On-Demand	Mild	GPBAR1	24	40
N#CC[C@H]1CCCN(C(=O)NCCc2ccc(Cl)nc2)C1	ZINC000852204943	DF	On-Demand	Mild	NACHRBETA2	46	34
N#CC[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)nc2)C1	ZINC000852204945	DF	On-Demand	Mild	GPBAR1	24	40
N#CC[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)nc2)C1	ZINC000852204945	DF	On-Demand	Mild	NACHRBETA2	46	34
O=[N+]([O-])c1ccccc1CN(CC=C(Cl)Cl)[C@@H]1CC[C@@H](O)CC1	ZINC000852204951	FI	On-Demand	Bother	COLA	108	35
COc1cccc([C@]2(C)CCN(C(=O)NCCc3ccc(Cl)nc3)C2)c1	ZINC000852204965	FH	On-Demand	Anodyne	DRD4	43	33
O=C(NCCc1ccc(Cl)nc1)NCC1SCCS1	ZINC000852204977	DE	On-Demand	Anodyne	NACHRBETA2	48	36
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC)cc2)cc1	ZINC000852205011	EG	On-Demand	Mild	MTNR1A	17	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC)cc2)cc1	ZINC000852205011	EG	On-Demand	Mild	MTNR1B	21	42
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC)cc2)cc1	ZINC000852205011	EG	On-Demand	Mild	FAAH	22	47
CCOc1ccc(C=NOCC(=O)Nc2c(F)cccc2F)cc1	ZINC000852205019	EG	On-Demand	Mild	FAAH	18	41
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852205036	FD	On-Demand	Anodyne	CHRM3	41	39
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852205036	FD	On-Demand	Anodyne	AMY2	44	30
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852205036	FD	On-Demand	Anodyne	CYP2J2	46	35
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1C(=O)OC(C)(C)C	ZINC000852205037	FD	On-Demand	Anodyne	CHRM3	41	39
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1C(=O)OC(C)(C)C	ZINC000852205037	FD	On-Demand	Anodyne	AMY2	44	30
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1C(=O)OC(C)(C)C	ZINC000852205037	FD	On-Demand	Anodyne	CYP2J2	46	35
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852205038	FD	On-Demand	Anodyne	CHRM3	41	39
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852205038	FD	On-Demand	Anodyne	AMY2	44	30
C[C@@H]1CCN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)OC(C)(C)C	ZINC000852205038	FD	On-Demand	Anodyne	CYP2J2	46	35
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H]1C(=O)OC(C)(C)C	ZINC000852205039	FD	On-Demand	Anodyne	CHRM3	41	39
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H]1C(=O)OC(C)(C)C	ZINC000852205039	FD	On-Demand	Anodyne	AMY2	44	30
C[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H]1C(=O)OC(C)(C)C	ZINC000852205039	FD	On-Demand	Anodyne	CYP2J2	46	35
C#CC1CCN(CC(=O)Nc2cnccn2)CC1	ZINC000852205076	BC	On-Demand	Mild	KARS	41	36
O=[N+]([O-])c1ccccc1CN(CCOC(F)F)[C@@H]1CC[C@@H](O)CC1	ZINC000852205167	EF	On-Demand	Bother	COLA	111	36
O[C@@H]1CCCC[C@H]1N1CCc2cc(Cl)nnc2C1	ZINC000852205168	CD	On-Demand	Anodyne	SLC18A3	28	41
O=[N+]([O-])c1ccccc1CN(CC(F)(F)Br)[C@@H]1CC[C@@H](O)CC1	ZINC000852205171	GH	On-Demand	Bother	COLA	113	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(CC)cc2)cc1	ZINC000852205199	EH	On-Demand	Mild	FAAH	21	46
CCOc1ccc(C=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000852205204	IE	On-Demand	Mild	MMP13	27	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000852205204	IE	On-Demand	Mild	MMP3	16	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000852205204	IE	On-Demand	Mild	TGM2	64	43
CCOc1ccc(C=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000852205204	IE	On-Demand	Mild	MMP7	17	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000852205204	IE	On-Demand	Mild	F13A1	80	43
CCOc1ccc(C=NOCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000852205204	IE	On-Demand	Mild	NAMPT	20	41
NC(=O)[C@](O)(CN1CCC[C@H]1[C@@H]1CCCOC1)c1ccccc1	ZINC000852205214	DD	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@](O)(CN1CCC[C@@H]1[C@@H]1CCCOC1)c1ccccc1	ZINC000852205215	DD	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@](O)(CN1CCC[C@@H]1[C@H]1CCCOC1)c1ccccc1	ZINC000852205216	DD	On-Demand	Anodyne	CYP2J2	45	31
NC(=O)[C@](O)(CN1CCC[C@H]1[C@H]1CCCOC1)c1ccccc1	ZINC000852205217	DD	On-Demand	Anodyne	CYP2J2	45	31
CCOc1ccc(C=NOCC(=O)Nc2cccc(Cl)c2)cc1	ZINC000852205240	EH	On-Demand	Mild	MAOB	15	41
C#CC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852205262	CC	On-Demand	Mild	CHRM2	23	40
C#CC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852205262	CC	On-Demand	Mild	CHRM3	40	40
C#CC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852205262	CC	On-Demand	Mild	CYP2J2	49	35
C#CC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852205263	CC	On-Demand	Mild	CHRM2	23	40
C#CC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852205263	CC	On-Demand	Mild	CHRM3	40	40
C#CC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852205263	CC	On-Demand	Mild	CYP2J2	49	35
C#CCOCCN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](O)CC1	ZINC000852205334	EE	On-Demand	Mild	COLA	95	33
O=C(NCc1ccccc1)[C@@H]1CCN(Cc2cnon2)C1	ZINC000852205340	CD	On-Demand	Anodyne	DRD4	19	42
O=C(NCc1ccccc1)[C@@H]1CCN(Cc2cnon2)C1	ZINC000852205340	CD	On-Demand	Anodyne	SIGMAR1	26	59
O=C(NCc1ccccc1)[C@@H]1CCN(Cc2cnon2)C1	ZINC000852205340	CD	On-Demand	Anodyne	PDE8B	58	34
O=C(NCc1ccccc1)[C@@H]1CCN(Cc2cnon2)C1	ZINC000852205340	CD	On-Demand	Anodyne	CACNA1G	43	40
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cnon2)C1	ZINC000852205341	CD	On-Demand	Anodyne	DRD4	19	42
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cnon2)C1	ZINC000852205341	CD	On-Demand	Anodyne	SIGMAR1	26	59
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cnon2)C1	ZINC000852205341	CD	On-Demand	Anodyne	PDE8B	58	34
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cnon2)C1	ZINC000852205341	CD	On-Demand	Anodyne	CACNA1G	43	40
O=[N+]([O-])c1ccccc1CN(Cc1ccsc1)[C@@H]1CC[C@@H](O)CC1	ZINC000852205379	EH	On-Demand	Bother	COLA	99	35
O=C1CC[C@@H](CN2CC[C@@H](C(=O)NCc3ccccc3)C2)O1	ZINC000852205429	DD	On-Demand	Anodyne	SIGMAR1	26	57
O=C1CC[C@@H](CN2CC[C@@H](C(=O)NCc3ccccc3)C2)O1	ZINC000852205429	DD	On-Demand	Anodyne	EPHX2	15	49
O=C1CC[C@@H](CN2CC[C@H](C(=O)NCc3ccccc3)C2)O1	ZINC000852205430	DD	On-Demand	Anodyne	SIGMAR1	26	57
O=C1CC[C@@H](CN2CC[C@H](C(=O)NCc3ccccc3)C2)O1	ZINC000852205430	DD	On-Demand	Anodyne	EPHX2	15	49
O=C1CC[C@H](CN2CC[C@@H](C(=O)NCc3ccccc3)C2)O1	ZINC000852205431	DD	On-Demand	Anodyne	SIGMAR1	26	57
O=C1CC[C@H](CN2CC[C@@H](C(=O)NCc3ccccc3)C2)O1	ZINC000852205431	DD	On-Demand	Anodyne	EPHX2	15	49
O=C1CC[C@H](CN2CC[C@H](C(=O)NCc3ccccc3)C2)O1	ZINC000852205432	DD	On-Demand	Anodyne	SIGMAR1	26	57
O=C1CC[C@H](CN2CC[C@H](C(=O)NCc3ccccc3)C2)O1	ZINC000852205432	DD	On-Demand	Anodyne	EPHX2	15	49
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	SLC6A1	125	44
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	HTR4	29	41
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	LTA4H	18	46
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	SIGMAR1	35	57
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	CCR5	15	44
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	EPHX2	15	47
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	CACNA1G	45	38
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	CYP2J2	42	30
C#CCOCCN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205433	CD	On-Demand	Mild	TMPRSS11D	40	31
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	SLC6A1	125	44
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	HTR4	29	41
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	LTA4H	18	46
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	SIGMAR1	35	57
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	CCR5	15	44
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	EPHX2	15	47
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	CACNA1G	45	38
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	CYP2J2	42	30
C#CCOCCN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205434	CD	On-Demand	Mild	TMPRSS11D	40	31
C#CC1CCN(CCSc2cccc(OC)c2)CC1	ZINC000852205444	CG	On-Demand	Mild	DRD4	42	32
C#CC1CCN(CCSc2cccc(OC)c2)CC1	ZINC000852205444	CG	On-Demand	Mild	SIGMAR1	16	45
C#CC1CCN(CCSc2cccc(OC)c2)CC1	ZINC000852205444	CG	On-Demand	Mild	EBP	45	37
CC(=O)NCCN(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852205457	CB	On-Demand	Anodyne	MTNR1A	26	41
CC(=O)NCCN(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852205457	CB	On-Demand	Anodyne	MTNR1B	24	42
CC(=O)NCCN(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852205458	CB	On-Demand	Anodyne	MTNR1A	26	41
CC(=O)NCCN(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852205458	CB	On-Demand	Anodyne	MTNR1B	24	42
C#CC1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852205474	BD	On-Demand	Mild	SLC18A3	64	62
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852205499	GG	On-Demand	Anodyne	CCR5	72	33
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852205499	GG	On-Demand	Anodyne	GPR119	28	42
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852205500	GG	On-Demand	Anodyne	CCR5	72	33
C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852205500	GG	On-Demand	Anodyne	GPR119	28	42
CN(CCC(C)(C)C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852205504	CD	On-Demand	Anodyne	AMY2	58	37
CN(CCC(C)(C)C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852205505	CD	On-Demand	Anodyne	AMY2	58	37
C#CC1CCN(CCc2nsc3ccccc23)CC1	ZINC000852205516	CG	On-Demand	Mild	HTR1A	18	42
C#CC1CCN(CCc2nsc3ccccc23)CC1	ZINC000852205516	CG	On-Demand	Mild	DRD2	23	42
C#CC1CCN(CCc2nsc3ccccc23)CC1	ZINC000852205516	CG	On-Demand	Mild	HTR2A	35	42
CCOP(=O)(OCC)[C@H](O)CN1CCO[C@H](c2cccc(F)c2)[C@H]1C	ZINC000852205598	GG	On-Demand	Anodyne	CCR5	62	32
CCOP(=O)(OCC)[C@@H](O)CN1CCO[C@H](c2cccc(F)c2)[C@H]1C	ZINC000852205599	GG	On-Demand	Anodyne	CCR5	62	32
C#CC1CCN(CCOCc2ccccc2)CC1	ZINC000852205610	BF	On-Demand	Mild	SLC6A3	23	40
C#CC1CCN(CCOCc2ccccc2)CC1	ZINC000852205610	BF	On-Demand	Mild	GRIN2B	20	40
C#CC1CCN(CCOCc2ccccc2)CC1	ZINC000852205610	BF	On-Demand	Mild	LTA4H	36	48
C#CC1CCN(CCOCc2ccccc2)CC1	ZINC000852205610	BF	On-Demand	Mild	HRH3	24	47
C#CC1CCN(CCOCc2ccccc2)CC1	ZINC000852205610	BF	On-Demand	Mild	SIGMAR1	58	48
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852205638	DE	On-Demand	Anodyne	DRD4	27	42
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852205638	DE	On-Demand	Anodyne	SIGMAR1	34	59
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852205638	DE	On-Demand	Anodyne	CCR3	37	41
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852205638	DE	On-Demand	Anodyne	EPHX2	15	46
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852205638	DE	On-Demand	Anodyne	PDE8B	66	39
O=C(NCc1ccccc1)[C@H]1CCN(Cc2cccc(F)n2)C1	ZINC000852205638	DE	On-Demand	Anodyne	CACNA1G	52	44
C#CC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852205656	BF	On-Demand	Mild	PTAFR	28	42
C#CC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852205657	BF	On-Demand	Mild	PTAFR	28	42
C#CC1CCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)CC1	ZINC000852205666	CE	On-Demand	Mild	DRD4	17	45
C#CC1CCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)CC1	ZINC000852205666	CE	On-Demand	Mild	GRIN2B	24	46
C#CC1CCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)CC1	ZINC000852205666	CE	On-Demand	Mild	CHEK2	40	38
C#CCOCCN(C(C)C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852205667	DF	On-Demand	Mild	ACHE	17	40
C#CCOCCN(C(C)C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852205667	DF	On-Demand	Mild	SIGMAR1	35	40
C#CCOCCN(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852205668	DF	On-Demand	Mild	ACHE	17	40
C#CCOCCN(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852205668	DF	On-Demand	Mild	SIGMAR1	35	40
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000852205687	GI	On-Demand	Mild	PDS	45	44
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000852205688	GI	On-Demand	Mild	PDS	45	44
C#CC1CCN(Cc2cccc(SC)c2)CC1	ZINC000852205692	BG	On-Demand	Mild	SIGMAR1	34	42
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205707	ED	On-Demand	Anodyne	SIGMAR1	20	55
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205707	ED	On-Demand	Anodyne	CCR5	23	42
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205707	ED	On-Demand	Anodyne	EPHX2	18	45
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205707	ED	On-Demand	Anodyne	SCD	15	41
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205707	ED	On-Demand	Anodyne	TMPRSS11D	57	34
O=C(NCc1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205708	ED	On-Demand	Anodyne	SIGMAR1	20	55
O=C(NCc1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205708	ED	On-Demand	Anodyne	CCR5	23	42
O=C(NCc1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205708	ED	On-Demand	Anodyne	EPHX2	18	45
O=C(NCc1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205708	ED	On-Demand	Anodyne	SCD	15	41
O=C(NCc1ccccc1)[C@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205708	ED	On-Demand	Anodyne	TMPRSS11D	57	34
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205709	ED	On-Demand	Anodyne	SIGMAR1	20	55
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205709	ED	On-Demand	Anodyne	CCR5	23	42
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205709	ED	On-Demand	Anodyne	EPHX2	18	45
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205709	ED	On-Demand	Anodyne	SCD	15	41
O=C(NCc1ccccc1)[C@@H]1CCN(C[C@@H](O)c2ccccn2)C1	ZINC000852205709	ED	On-Demand	Anodyne	TMPRSS11D	57	34
O=C(NCc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205710	ED	On-Demand	Anodyne	SIGMAR1	20	55
O=C(NCc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205710	ED	On-Demand	Anodyne	CCR5	23	42
O=C(NCc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205710	ED	On-Demand	Anodyne	EPHX2	18	45
O=C(NCc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205710	ED	On-Demand	Anodyne	SCD	15	41
O=C(NCc1ccccc1)[C@H]1CCN(C[C@H](O)c2ccccn2)C1	ZINC000852205710	ED	On-Demand	Anodyne	TMPRSS11D	57	34
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205724	GE	On-Demand	Anodyne	SIGMAR1	23	53
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205724	GE	On-Demand	Anodyne	CCR5	38	44
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205724	GE	On-Demand	Anodyne	EPHX2	16	46
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205724	GE	On-Demand	Anodyne	ADAM9	62	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205724	GE	On-Demand	Anodyne	CACNA1G	45	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205725	GE	On-Demand	Anodyne	SIGMAR1	23	53
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205725	GE	On-Demand	Anodyne	CCR5	38	44
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205725	GE	On-Demand	Anodyne	EPHX2	16	46
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205725	GE	On-Demand	Anodyne	ADAM9	62	40
CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205725	GE	On-Demand	Anodyne	CACNA1G	45	40
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205726	GE	On-Demand	Anodyne	SIGMAR1	23	53
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205726	GE	On-Demand	Anodyne	CCR5	38	44
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205726	GE	On-Demand	Anodyne	EPHX2	16	46
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205726	GE	On-Demand	Anodyne	ADAM9	62	40
CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C(=O)NCc2ccccc2)C1	ZINC000852205726	GE	On-Demand	Anodyne	CACNA1G	45	40
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205727	GE	On-Demand	Anodyne	SIGMAR1	23	53
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205727	GE	On-Demand	Anodyne	CCR5	38	44
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205727	GE	On-Demand	Anodyne	EPHX2	16	46
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205727	GE	On-Demand	Anodyne	ADAM9	62	40
CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C(=O)NCc2ccccc2)C1	ZINC000852205727	GE	On-Demand	Anodyne	CACNA1G	45	40
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	ACHE	31	41
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	SLC6A1	145	41
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	SLC6A4	21	40
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	SLC6A3	50	40
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	HTR4	28	41
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	LTA4H	23	47
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	SIGMAR1	45	61
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	CCR3	25	42
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	CCR5	29	44
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	CCR2	17	40
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	EPHX2	17	48
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	CACNA1G	49	43
O=C(NCc1ccccc1)[C@@H]1CCN(CCOC(F)F)C1	ZINC000852205771	CD	On-Demand	Anodyne	TMPRSS11D	51	33
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	ACHE	31	41
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	SLC6A1	145	41
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	SLC6A4	21	40
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	SLC6A3	50	40
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	HTR4	28	41
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	LTA4H	23	47
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	SIGMAR1	45	61
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	CCR3	25	42
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	CCR5	29	44
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	CCR2	17	40
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	EPHX2	17	48
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	CACNA1G	49	43
O=C(NCc1ccccc1)[C@H]1CCN(CCOC(F)F)C1	ZINC000852205772	CD	On-Demand	Anodyne	TMPRSS11D	51	33
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	ACHE	30	41
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	SLC6A1	48	32
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	SIGMAR1	38	63
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	P2RX7	21	41
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	CCR3	18	43
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	CCR5	26	42
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	CCR2	41	43
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	EPHX2	24	51
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	CACNA1G	52	51
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	CYP2J2	42	30
O=C(NCc1ccccc1)[C@@H]1CCN(CC(F)(F)Br)C1	ZINC000852205815	EF	On-Demand	Anodyne	TMPRSS11D	46	32
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	ACHE	30	41
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	SLC6A1	48	32
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	SIGMAR1	38	63
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	P2RX7	21	41
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	CCR3	18	43
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	CCR5	26	42
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	CCR2	41	43
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	EPHX2	24	51
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	CACNA1G	52	51
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	CYP2J2	42	30
O=C(NCc1ccccc1)[C@H]1CCN(CC(F)(F)Br)C1	ZINC000852205816	EF	On-Demand	Anodyne	TMPRSS11D	46	32
C#CC1CCN([C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000852205818	DE	On-Demand	Mild	SLC18A3	15	40
C#CC1CCN([C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1	ZINC000852205819	DE	On-Demand	Mild	SLC18A3	15	40
C#CC[C@@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852205892	BD	On-Demand	Mild	SLC18A3	31	41
C#CC[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852205898	BD	On-Demand	Mild	SLC18A3	31	41
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1CC=C(Cl)Cl	ZINC000852205915	EG	On-Demand	Anodyne	ADAM9	56	35
O=C(NCc1ccccc1)[C@H]1CCN(CCn2cnc(Br)n2)C1	ZINC000852205924	GD	On-Demand	Anodyne	SLC6A1	55	32
O=C(NCc1ccccc1)[C@H]1CCN(CCn2cnc(Br)n2)C1	ZINC000852205924	GD	On-Demand	Anodyne	SIGMAR1	27	58
O=C(NCc1ccccc1)[C@H]1CCN(CCn2cnc(Br)n2)C1	ZINC000852205924	GD	On-Demand	Anodyne	PDE8B	43	31
O=C(NCc1ccccc1)[C@H]1CCN(CCn2cnc(Br)n2)C1	ZINC000852205924	GD	On-Demand	Anodyne	CACNA1G	40	39
O=C(NCc1ccccc1)[C@@H]1CCN(CCn2cnc(Br)n2)C1	ZINC000852205926	GD	On-Demand	Anodyne	SLC6A1	55	32
O=C(NCc1ccccc1)[C@@H]1CCN(CCn2cnc(Br)n2)C1	ZINC000852205926	GD	On-Demand	Anodyne	SIGMAR1	27	58
O=C(NCc1ccccc1)[C@@H]1CCN(CCn2cnc(Br)n2)C1	ZINC000852205926	GD	On-Demand	Anodyne	PDE8B	43	31
O=C(NCc1ccccc1)[C@@H]1CCN(CCn2cnc(Br)n2)C1	ZINC000852205926	GD	On-Demand	Anodyne	CACNA1G	40	39
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852205940	GE	On-Demand	Anodyne	MMP3	18	48
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852205940	GE	On-Demand	Anodyne	CFTR	45	31
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852205940	GE	On-Demand	Anodyne	ADAM9	100	48
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852205940	GE	On-Demand	Anodyne	MMP1	18	47
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852205942	GE	On-Demand	Anodyne	MMP3	18	48
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852205942	GE	On-Demand	Anodyne	CFTR	45	31
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852205942	GE	On-Demand	Anodyne	ADAM9	100	48
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852205942	GE	On-Demand	Anodyne	MMP1	18	47
NC(=O)[C@](O)(CN1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1	ZINC000852205946	CC	On-Demand	Anodyne	CHRM2	18	40
NC(=O)[C@](O)(CN1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1	ZINC000852205946	CC	On-Demand	Anodyne	CHRM1	19	40
NC(=O)[C@](O)(CN1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1	ZINC000852205946	CC	On-Demand	Anodyne	CHRM3	29	40
NC(=O)[C@](O)(CN1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1	ZINC000852205946	CC	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@@](O)(CN1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1	ZINC000852205948	CC	On-Demand	Anodyne	CHRM2	18	40
NC(=O)[C@@](O)(CN1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1	ZINC000852205948	CC	On-Demand	Anodyne	CHRM1	19	40
NC(=O)[C@@](O)(CN1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1	ZINC000852205948	CC	On-Demand	Anodyne	CHRM3	29	40
NC(=O)[C@@](O)(CN1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1	ZINC000852205948	CC	On-Demand	Anodyne	CYP2J2	49	34
O=C(CN1CC[C@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205949	FE	On-Demand	Anodyne	DRD4	22	40
O=C(CN1CC[C@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205949	FE	On-Demand	Anodyne	SIGMAR1	22	54
O=C(CN1CC[C@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205949	FE	On-Demand	Anodyne	MAPK1	24	42
O=C(CN1CC[C@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205949	FE	On-Demand	Anodyne	EPHX2	15	43
O=C(CN1CC[C@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205949	FE	On-Demand	Anodyne	CACNA1G	42	39
O=C(CN1CC[C@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205949	FE	On-Demand	Anodyne	NAMPT	38	42
NC(=O)[C@@](O)(CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1)c1ccccc1	ZINC000852205950	GD	On-Demand	Anodyne	ADAM9	53	34
O=C(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205951	FE	On-Demand	Anodyne	DRD4	22	40
O=C(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205951	FE	On-Demand	Anodyne	SIGMAR1	22	54
O=C(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205951	FE	On-Demand	Anodyne	MAPK1	24	42
O=C(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205951	FE	On-Demand	Anodyne	EPHX2	15	43
O=C(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205951	FE	On-Demand	Anodyne	CACNA1G	42	39
O=C(CN1CC[C@@H](C(=O)NCc2ccccc2)C1)Nc1ccc(Cl)nc1	ZINC000852205951	FE	On-Demand	Anodyne	NAMPT	38	42
NC(=O)[C@](O)(CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1)c1ccccc1	ZINC000852205952	GD	On-Demand	Anodyne	ADAM9	53	34
C#CC[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852205991	CF	On-Demand	Mild	SLC6A1	115	45
C#CC[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852205991	CF	On-Demand	Mild	LTA4H	32	44
C#CC[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852205991	CF	On-Demand	Mild	SIGMAR1	22	42
C#CC[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852205993	CF	On-Demand	Mild	SLC6A1	115	45
C#CC[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852205993	CF	On-Demand	Mild	LTA4H	32	44
C#CC[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852205993	CF	On-Demand	Mild	SIGMAR1	22	42
CCOc1ccc(C=NOCC(=O)NC2CCCCC2)cc1	ZINC000852205994	DF	On-Demand	Mild	FAAH	27	45
CN(CCC(C)(C)C)CC(=O)Nc1ccc(Cl)nc1	ZINC000852206046	CG	On-Demand	Anodyne	LTA4H	20	40
C#CC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852206047	BE	On-Demand	Mild	HRH3	26	52
C#CC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852206047	BE	On-Demand	Mild	SIGMAR1	27	46
C#CC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852206047	BE	On-Demand	Mild	L3MBTL3	32	46
C#CC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852206047	BE	On-Demand	Mild	KCNJ1	59	71
CC(=O)NCCN(C)CC1=NS(=O)(=O)c2ccccc21	ZINC000852206123	CC	On-Demand	Anodyne	KCNA3	19	42
C#CC[C@H]1CCCN(CCC=C(C)C)C1	ZINC000852206171	BG	On-Demand	Mild	SLC6A1	47	38
C#CC[C@@H]1CCCN(CCC=C(C)C)C1	ZINC000852206172	BG	On-Demand	Mild	SLC6A1	47	38
CCOc1ccc(C=NOCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000852206173	IF	On-Demand	Mild	TGM2	44	37
CCOc1ccc(C=NOCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000852206173	IF	On-Demand	Mild	F13A1	57	41
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(=O)OC)cc2)cc1	ZINC000852206191	FF	On-Demand	Mild	ADORA2B	27	41
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(=O)OC)cc2)cc1	ZINC000852206191	FF	On-Demand	Mild	FAAH	21	42
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(=O)OC)cc2)cc1	ZINC000852206191	FF	On-Demand	Mild	ACR	71	41
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1	ZINC000852206194	FI	On-Demand	Mild	ADORA2B	24	41
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1	ZINC000852206194	FI	On-Demand	Mild	FAAH	21	46
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1	ZINC000852206194	FI	On-Demand	Mild	ACR	16	41
CCOc1ccc(C=NOCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1	ZINC000852206194	FI	On-Demand	Mild	MCHR1	17	43
NC(=O)[C@@](O)(CN(Cc1ccccc1)[C@H](CO)C1CCC1)c1ccccc1	ZINC000852206198	FE	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@](O)(CN(Cc1ccccc1)[C@H](CO)C1CCC1)c1ccccc1	ZINC000852206199	FE	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@@](O)(CN(Cc1ccccc1)[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852206200	FE	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@](O)(CN(Cc1ccccc1)[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852206201	FE	On-Demand	Anodyne	AMY2	44	30
O=C(CN1CC[C@@H](c2cccnc2)C1)Nc1ccc(Cl)nc1	ZINC000852206204	DF	On-Demand	Anodyne	NAMPT	50	38
O=C(CN1CC[C@H](c2cccnc2)C1)Nc1ccc(Cl)nc1	ZINC000852206205	DF	On-Demand	Anodyne	NAMPT	50	38
O=C1CC[C@H](CN2Cc3ccccc3C[C@H]2C(=O)NC2CC2)O1	ZINC000852206221	DD	On-Demand	Anodyne	ADAM9	53	33
O=C1CC[C@@H](CN2Cc3ccccc3C[C@H]2C(=O)NC2CC2)O1	ZINC000852206222	DD	On-Demand	Anodyne	ADAM9	53	33
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	DRD2	15	40
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	DRD4	27	40
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	ACHE	31	42
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	SLC6A1	87	36
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	SIGMAR1	47	67
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	P2RX7	18	41
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	CCR3	23	43
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	CCR5	26	45
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	EPHX2	24	51
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	PDE8B	47	32
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	CACNA1G	46	43
O=C(NCc1ccccc1)[C@@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206237	DF	On-Demand	Anodyne	TMPRSS11D	46	34
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	DRD2	15	40
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	DRD4	27	40
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	ACHE	31	42
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	SLC6A1	87	36
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	SIGMAR1	47	67
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	P2RX7	18	41
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	CCR3	23	43
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	CCR5	26	45
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	EPHX2	24	51
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	PDE8B	47	32
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	CACNA1G	46	43
O=C(NCc1ccccc1)[C@H]1CCN(CC=C(Cl)Cl)C1	ZINC000852206238	DF	On-Demand	Anodyne	TMPRSS11D	46	34
C#CC1CCN(Cc2cccc(OC)c2Cl)CC1	ZINC000852206240	CG	On-Demand	Mild	DRD2	18	40
C#CC1CCN(Cc2cccc(OC)c2Cl)CC1	ZINC000852206240	CG	On-Demand	Mild	SIGMAR1	19	42
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	SCN2A	25	52
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	MTNR1A	31	42
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	MTNR1B	31	41
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	MMP3	19	40
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	FAAH	39	43
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	AMP1_PLAFQ	24	40
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	POLG_WNV	41	31
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	PDS	55	40
CCOc1ccc(C=NOCC(=O)NCCCc2ccccc2)cc1	ZINC000852206275	EG	On-Demand	Mild	CES1D	48	36
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C[C@H](O)c1ccccn1	ZINC000852206278	ED	On-Demand	Anodyne	ADAM9	52	33
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C[C@@H](O)c1ccccn1	ZINC000852206279	ED	On-Demand	Anodyne	ADAM9	52	33
CCOP(=O)(OCC)[C@H](O)CNC1(c2cccc(F)c2)CCC1	ZINC000852206345	EG	On-Demand	Anodyne	CTSD	25	43
CCOP(=O)(OCC)[C@H](O)CNC1(c2cccc(F)c2)CCC1	ZINC000852206345	EG	On-Demand	Anodyne	BACE1	17	43
CCOP(=O)(OCC)[C@@H](O)CNC1(c2cccc(F)c2)CCC1	ZINC000852206346	EG	On-Demand	Anodyne	CTSD	25	43
CCOP(=O)(OCC)[C@@H](O)CNC1(c2cccc(F)c2)CCC1	ZINC000852206346	EG	On-Demand	Anodyne	BACE1	17	43
C#CC[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852206384	CF	On-Demand	Mild	HRH3	24	48
C#CC[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852206384	CF	On-Demand	Mild	L3MBTL3	30	41
C#CC[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852206384	CF	On-Demand	Mild	KCNJ1	21	55
C#CC[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852206385	CF	On-Demand	Mild	HRH3	24	48
C#CC[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852206385	CF	On-Demand	Mild	L3MBTL3	30	41
C#CC[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852206385	CF	On-Demand	Mild	KCNJ1	21	55
C#CCOCCN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206398	CC	On-Demand	Mild	CFTR	41	32
C#CCOCCN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206398	CC	On-Demand	Mild	ADAM9	64	37
C#CC[C@@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852206416	DF	On-Demand	Mild	SLC6A1	53	33
C#CC[C@@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852206416	DF	On-Demand	Mild	GRIN2B	19	41
C#CC[C@@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852206416	DF	On-Demand	Mild	CHEK2	38	44
C#CC[C@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852206417	DF	On-Demand	Mild	SLC6A1	53	33
C#CC[C@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852206417	DF	On-Demand	Mild	GRIN2B	19	41
C#CC[C@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852206417	DF	On-Demand	Mild	CHEK2	38	44
COCCN(CCF)C(=O)NCc1ccccc1-n1nc(C)cc1C	ZINC000852206437	EF	On-Demand	Anodyne	ADORA2A	21	41
COC(=O)c1ccc2nc(CN(C)C[C@@]3(O)CCc4ccccc43)[nH]c2c1	ZINC000852206450	FF	On-Demand	Anodyne	CXCR4	22	45
COC(=O)c1ccc2nc(CN(C)C[C@]3(O)CCc4ccccc43)[nH]c2c1	ZINC000852206451	FF	On-Demand	Anodyne	CXCR4	22	45
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206482	FD	On-Demand	Anodyne	MMP3	22	51
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206482	FD	On-Demand	Anodyne	CFTR	56	35
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206482	FD	On-Demand	Anodyne	ADAM9	106	51
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206482	FD	On-Demand	Anodyne	MMP1	19	50
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206483	FD	On-Demand	Anodyne	MMP3	22	51
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206483	FD	On-Demand	Anodyne	CFTR	56	35
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206483	FD	On-Demand	Anodyne	ADAM9	106	51
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@H]1C(=O)NC	ZINC000852206483	FD	On-Demand	Anodyne	MMP1	19	50
NC(=O)[C@](O)(CNC1(c2cccc(F)c2)CCC1)c1ccccc1	ZINC000852206518	EE	On-Demand	Anodyne	CTSD	15	41
NC(=O)[C@@](O)(CNC1(c2cccc(F)c2)CCC1)c1ccccc1	ZINC000852206519	EE	On-Demand	Anodyne	CTSD	15	41
C#CC[C@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1	ZINC000852206538	BG	On-Demand	Mild	SLC18A3	41	37
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccnc2)C1)c1ccccc1	ZINC000852206565	DD	On-Demand	Anodyne	CHRM3	24	41
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccnc2)C1)c1ccccc1	ZINC000852206565	DD	On-Demand	Anodyne	CCR5	51	35
NC(=O)[C@@](O)(CN1CC[C@@H](c2cccnc2)C1)c1ccccc1	ZINC000852206565	DD	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@H](c2cccnc2)C1)c1ccccc1	ZINC000852206566	DD	On-Demand	Anodyne	CHRM3	24	41
NC(=O)[C@@](O)(CN1CC[C@H](c2cccnc2)C1)c1ccccc1	ZINC000852206566	DD	On-Demand	Anodyne	CCR5	51	35
NC(=O)[C@@](O)(CN1CC[C@H](c2cccnc2)C1)c1ccccc1	ZINC000852206566	DD	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@@H](c2cccnc2)C1)c1ccccc1	ZINC000852206567	DD	On-Demand	Anodyne	CHRM3	24	41
NC(=O)[C@](O)(CN1CC[C@@H](c2cccnc2)C1)c1ccccc1	ZINC000852206567	DD	On-Demand	Anodyne	CCR5	51	35
NC(=O)[C@](O)(CN1CC[C@@H](c2cccnc2)C1)c1ccccc1	ZINC000852206567	DD	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H](c2cccnc2)C1)c1ccccc1	ZINC000852206568	DD	On-Demand	Anodyne	CHRM3	24	41
NC(=O)[C@](O)(CN1CC[C@H](c2cccnc2)C1)c1ccccc1	ZINC000852206568	DD	On-Demand	Anodyne	CCR5	51	35
NC(=O)[C@](O)(CN1CC[C@H](c2cccnc2)C1)c1ccccc1	ZINC000852206568	DD	On-Demand	Anodyne	CYP2J2	44	31
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1Cc1cccc(F)n1	ZINC000852206643	EE	On-Demand	Anodyne	ADAM9	58	35
NC(=O)[C@](O)(CN[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccccc1	ZINC000852206682	GD	On-Demand	Anodyne	PDS	42	35
NC(=O)[C@@](O)(CN[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccccc1	ZINC000852206683	GD	On-Demand	Anodyne	PDS	42	35
NC(=O)[C@@](O)(CN[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccccc1	ZINC000852206684	GD	On-Demand	Anodyne	PDS	42	35
NC(=O)[C@](O)(CN[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccccc1	ZINC000852206685	GD	On-Demand	Anodyne	PDS	42	35
C#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206713	CD	On-Demand	Mild	CHRM2	19	40
C#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206713	CD	On-Demand	Mild	CHRM1	18	40
C#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206713	CD	On-Demand	Mild	SLC6A1	81	34
C#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206713	CD	On-Demand	Mild	CHRM4	17	40
C#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206713	CD	On-Demand	Mild	CHRM3	34	40
C#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206714	CD	On-Demand	Mild	CHRM2	19	40
C#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206714	CD	On-Demand	Mild	CHRM1	18	40
C#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206714	CD	On-Demand	Mild	SLC6A1	81	34
C#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206714	CD	On-Demand	Mild	CHRM4	17	40
C#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206714	CD	On-Demand	Mild	CHRM3	34	40
C#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206715	CD	On-Demand	Mild	CHRM2	19	40
C#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206715	CD	On-Demand	Mild	CHRM1	18	40
C#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206715	CD	On-Demand	Mild	SLC6A1	81	34
C#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206715	CD	On-Demand	Mild	CHRM4	17	40
C#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206715	CD	On-Demand	Mild	CHRM3	34	40
C#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206716	CD	On-Demand	Mild	CHRM2	19	40
C#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206716	CD	On-Demand	Mild	CHRM1	18	40
C#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206716	CD	On-Demand	Mild	SLC6A1	81	34
C#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206716	CD	On-Demand	Mild	CHRM4	17	40
C#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852206716	CD	On-Demand	Mild	CHRM3	34	40
CCOc1ccc(C=NOCC(=O)Nc2ccc(OCC)cc2)cc1	ZINC000852206724	EG	On-Demand	Mild	FAAH	23	50
C#CCOCCN1Cc2ccccc2C[C@H]1C(=O)NC1CC1	ZINC000852206740	CD	On-Demand	Mild	ADAM9	59	34
O=C(CN1Cc2ccccc2C[C@H]1C(=O)NC1CC1)Nc1ccc(Cl)nc1	ZINC000852206786	GE	On-Demand	Anodyne	CFTR	61	47
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@H](c3cccnc3)C2)C1	ZINC000852206911	EF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@@H](c3cccnc3)C2)C1	ZINC000852206912	EF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@H](c3cccnc3)C2)C1	ZINC000852206913	EF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@@H](c3cccnc3)C2)C1	ZINC000852206914	EF	On-Demand	Anodyne	GPR119	30	41
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1CCn1cnc(Br)n1	ZINC000852206935	GD	On-Demand	Anodyne	ADAM9	58	33
C#CC[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852206943	BE	On-Demand	Mild	SLC18A3	37	45
C#CC[C@@H]1CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852206944	BE	On-Demand	Mild	SLC18A3	37	45
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1CCOC(F)F	ZINC000852206962	DD	On-Demand	Anodyne	CFTR	51	32
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1CCOC(F)F	ZINC000852206962	DD	On-Demand	Anodyne	ADAM9	61	35
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1CC(F)(F)Br	ZINC000852206971	FF	On-Demand	Anodyne	MMP3	19	40
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1CC(F)(F)Br	ZINC000852206971	FF	On-Demand	Anodyne	MMP8	19	40
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1CC(F)(F)Br	ZINC000852206971	FF	On-Demand	Anodyne	ADAM9	61	37
CCOc1ccc(C=NOCC(=O)Nc2ccccc2C(=O)OC)cc1	ZINC000852207045	FF	On-Demand	Mild	FAS	27	44
CCOc1ccc(C=NOCC(=O)Nc2ccc(Cl)cc2)cc1	ZINC000852207048	EH	On-Demand	Mild	FAAH	21	46
FC(F)OCCN1CC[C@@H](c2cccnc2)C1	ZINC000852207079	BE	On-Demand	Anodyne	SLC6A3	15	40
FC(F)OCCN1CC[C@H](c2cccnc2)C1	ZINC000852207080	BE	On-Demand	Anodyne	SLC6A3	15	40
CCOc1ccc(C=NOCC(=O)NC2CCCCCC2)cc1	ZINC000852207104	DG	On-Demand	Mild	FAAH	27	45
O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1Cc1cnon1	ZINC000852207131	CD	On-Demand	Anodyne	ADAM9	58	34
C#CC1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852207206	AD	On-Demand	Mild	SLC18A3	58	57
O[C@H]1CCCN(CCn2cnc(Br)n2)[C@@H]1CCc1ccccc1	ZINC000852207235	GE	On-Demand	Anodyne	SLC18A2	40	36
O[C@H]1CCCN(CCn2cnc(Br)n2)[C@H]1CCc1ccccc1	ZINC000852207236	GE	On-Demand	Anodyne	SLC18A2	40	36
O[C@@H]1CCCN(CCn2cnc(Br)n2)[C@@H]1CCc1ccccc1	ZINC000852207237	GE	On-Demand	Anodyne	SLC18A2	40	36
O[C@@H]1CCCN(CCn2cnc(Br)n2)[C@H]1CCc1ccccc1	ZINC000852207238	GE	On-Demand	Anodyne	SLC18A2	40	36
COCCN(Cc1cn(C)cn1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852207256	GF	On-Demand	Anodyne	P2RY12	48	34
COCCN(Cc1cn(C)cn1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852207256	GF	On-Demand	Anodyne	GRIN2B	22	45
COCCN(Cc1cn(C)cn1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852207256	GF	On-Demand	Anodyne	SLC12A5	54	33
CN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852207265	CD	On-Demand	Anodyne	CHRM4	15	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852207265	CD	On-Demand	Anodyne	CHRM3	17	40
CN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852207265	CD	On-Demand	Anodyne	AMY2	58	37
CN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)(C)C	ZINC000852207265	CD	On-Demand	Anodyne	AOX1	18	42
O[C@H]1CCCN(Cc2cccc(F)n2)[C@@H]1CCc1ccccc1	ZINC000852207269	DG	On-Demand	Anodyne	SLC18A2	43	36
O[C@@H]1CCCN(Cc2cccc(F)n2)[C@@H]1CCc1ccccc1	ZINC000852207270	DG	On-Demand	Anodyne	SLC18A2	43	36
O[C@H]1CCCN(Cc2cccc(F)n2)[C@H]1CCc1ccccc1	ZINC000852207271	DG	On-Demand	Anodyne	SLC18A2	43	36
O[C@@H]1CCCN(Cc2cccc(F)n2)[C@H]1CCc1ccccc1	ZINC000852207272	DG	On-Demand	Anodyne	SLC18A2	43	36
CCCCN(C[C@H](O)c1ccccn1)[C@@H]1CCc2ncsc2C1	ZINC000852207322	EG	On-Demand	Anodyne	DRD3	20	42
CCCCN(C[C@@H](O)c1ccccn1)[C@@H]1CCc2ncsc2C1	ZINC000852207323	EG	On-Demand	Anodyne	DRD3	20	42
CCCCN(C[C@@H](O)c1ccccn1)[C@H]1CCc2ncsc2C1	ZINC000852207324	EG	On-Demand	Anodyne	DRD3	20	42
CCCCN(C[C@H](O)c1ccccn1)[C@H]1CCc2ncsc2C1	ZINC000852207325	EG	On-Demand	Anodyne	DRD3	20	42
CCCCN(Cc1cccc(F)n1)[C@H]1CCc2ncsc2C1	ZINC000852207389	DH	On-Demand	Anodyne	DRD3	24	41
CCCCN(Cc1cccc(F)n1)[C@@H]1CCc2ncsc2C1	ZINC000852207390	DH	On-Demand	Anodyne	DRD3	24	41
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000852207403	FG	On-Demand	Mild	CACNA1D	46	33
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000852207404	FG	On-Demand	Mild	CACNA1D	46	33
CCOc1ccc(C=NOCC(=O)NCc2ccc(OC)c(OC)c2)cc1	ZINC000852207425	FF	On-Demand	Mild	MTNR1A	21	40
CCOc1ccc(C=NOCC(=O)NCc2ccc(OC)c(OC)c2)cc1	ZINC000852207425	FF	On-Demand	Mild	MTNR1B	21	40
CCOc1ccc(C=NOCC(=O)NCc2ccc(OC)c(OC)c2)cc1	ZINC000852207425	FF	On-Demand	Mild	PDE6A	43	33
CCOc1ccc(C=NOCC(=O)NCc2ccc(OC)c(OC)c2)cc1	ZINC000852207425	FF	On-Demand	Mild	MT-ND1	24	43
CCOc1ccc(C=NOCC(=O)NCc2ccc(OC)c(OC)c2)cc1	ZINC000852207425	FF	On-Demand	Mild	HCRTR2	15	41
CCOc1ccc(C=NOCC(=O)NCc2ccc(OC)c(OC)c2)cc1	ZINC000852207425	FF	On-Demand	Mild	DRTS_TRYCR	45	34
CCCCN(CCC(OC)OC)[C@@H]1CCc2ncsc2C1	ZINC000852207529	DG	On-Demand	Anodyne	DRD3	20	41
CCCCN(CCC(OC)OC)[C@H]1CCc2ncsc2C1	ZINC000852207530	DG	On-Demand	Anodyne	DRD3	20	41
COCCN(Cc1coc(C)n1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852207537	GG	On-Demand	Anodyne	P2RY12	120	36
COCCN(Cc1coc(C)n1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852207537	GG	On-Demand	Anodyne	GRIN2B	21	43
C#CCOCCN1CCC[C@H](O)[C@H]1CCc1ccccc1	ZINC000852207538	CE	On-Demand	Mild	SLC18A2	42	37
C#CCOCCN1CCC[C@H](O)[C@H]1CCc1ccccc1	ZINC000852207538	CE	On-Demand	Mild	SIGMAR1	21	42
C#CCOCCN1CCC[C@@H](O)[C@H]1CCc1ccccc1	ZINC000852207539	CE	On-Demand	Mild	SLC18A2	42	37
C#CCOCCN1CCC[C@@H](O)[C@H]1CCc1ccccc1	ZINC000852207539	CE	On-Demand	Mild	SIGMAR1	21	42
C#CCOCCN1CCC[C@H](O)[C@@H]1CCc1ccccc1	ZINC000852207540	CE	On-Demand	Mild	SLC18A2	42	37
C#CCOCCN1CCC[C@H](O)[C@@H]1CCc1ccccc1	ZINC000852207540	CE	On-Demand	Mild	SIGMAR1	21	42
C#CCOCCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1	ZINC000852207541	CE	On-Demand	Mild	SLC18A2	42	37
C#CCOCCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1	ZINC000852207541	CE	On-Demand	Mild	SIGMAR1	21	42
COCCN(Cc1cnon1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852207570	FE	On-Demand	Anodyne	P2RY12	71	36
COCCN(Cc1cnon1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852207570	FE	On-Demand	Anodyne	GRIN2B	20	43
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H](O)[C@@H]1CCc1ccccc1	ZINC000852207634	GG	On-Demand	Anodyne	SLC18A2	50	36
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1	ZINC000852207635	GG	On-Demand	Anodyne	SLC18A2	50	36
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@H](O)[C@H]1CCc1ccccc1	ZINC000852207636	GG	On-Demand	Anodyne	SLC18A2	50	36
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@H](O)[C@H]1CCc1ccccc1	ZINC000852207637	GG	On-Demand	Anodyne	SLC18A2	50	36
O[C@H]1CCCN(C[C@@H](O)c2ccccn2)[C@@H]1CCc1ccccc1	ZINC000852207650	EF	On-Demand	Anodyne	SLC18A2	44	38
O[C@H]1CCCN(C[C@@H](O)c2ccccn2)[C@H]1CCc1ccccc1	ZINC000852207651	EF	On-Demand	Anodyne	SLC18A2	44	38
O[C@H](CN1CCC[C@@H](O)[C@H]1CCc1ccccc1)c1ccccn1	ZINC000852207652	EF	On-Demand	Anodyne	SLC18A2	44	38
O[C@H](CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1)c1ccccn1	ZINC000852207653	EF	On-Demand	Anodyne	SLC18A2	44	38
CCCCN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCc2ncsc2C1	ZINC000852207656	FE	On-Demand	Anodyne	DRD3	40	44
CCCCN(C[C@](O)(C(N)=O)c1ccccc1)[C@H]1CCc2ncsc2C1	ZINC000852207657	FE	On-Demand	Anodyne	DRD3	40	44
CCCCN(C[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCc2ncsc2C1	ZINC000852207658	FE	On-Demand	Anodyne	DRD3	40	44
CCCCN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCc2ncsc2C1	ZINC000852207659	FE	On-Demand	Anodyne	DRD3	40	44
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC)cc2OC)cc1	ZINC000852207696	FG	On-Demand	Mild	CYP1B1	18	44
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCc4ccccc4Cn4cccn4)C3=O)ccc2c1	ZINC000852207699	JG	On-Demand	Anodyne	MTNR1A	43	38
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCCc4cnn(-c5ccccc5)c4)C3=O)ccc2c1	ZINC000852207701	JG	On-Demand	Anodyne	MTNR1A	41	35
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCCc4cnn(-c5ccccc5)c4)C3=O)ccc2c1	ZINC000852207701	JG	On-Demand	Anodyne	MTNR1B	40	34
O[C@H]1CCCN(CCOC(F)F)[C@@H]1CCc1ccccc1	ZINC000852207717	CF	On-Demand	Anodyne	SLC6A4	15	44
O[C@H]1CCCN(CCOC(F)F)[C@@H]1CCc1ccccc1	ZINC000852207717	CF	On-Demand	Anodyne	SLC6A3	43	44
O[C@H]1CCCN(CCOC(F)F)[C@@H]1CCc1ccccc1	ZINC000852207717	CF	On-Demand	Anodyne	SLC18A2	53	41
O[C@H]1CCCN(CCOC(F)F)[C@@H]1CCc1ccccc1	ZINC000852207717	CF	On-Demand	Anodyne	SIGMAR1	28	40
O[C@H]1CCCN(CCOC(F)F)[C@H]1CCc1ccccc1	ZINC000852207718	CF	On-Demand	Anodyne	SLC6A4	15	44
O[C@H]1CCCN(CCOC(F)F)[C@H]1CCc1ccccc1	ZINC000852207718	CF	On-Demand	Anodyne	SLC6A3	43	44
O[C@H]1CCCN(CCOC(F)F)[C@H]1CCc1ccccc1	ZINC000852207718	CF	On-Demand	Anodyne	SLC18A2	53	41
O[C@H]1CCCN(CCOC(F)F)[C@H]1CCc1ccccc1	ZINC000852207718	CF	On-Demand	Anodyne	SIGMAR1	28	40
O[C@@H]1CCCN(CCOC(F)F)[C@@H]1CCc1ccccc1	ZINC000852207719	CF	On-Demand	Anodyne	SLC6A4	15	44
O[C@@H]1CCCN(CCOC(F)F)[C@@H]1CCc1ccccc1	ZINC000852207719	CF	On-Demand	Anodyne	SLC6A3	43	44
O[C@@H]1CCCN(CCOC(F)F)[C@@H]1CCc1ccccc1	ZINC000852207719	CF	On-Demand	Anodyne	SLC18A2	53	41
O[C@@H]1CCCN(CCOC(F)F)[C@@H]1CCc1ccccc1	ZINC000852207719	CF	On-Demand	Anodyne	SIGMAR1	28	40
O[C@@H]1CCCN(CCOC(F)F)[C@H]1CCc1ccccc1	ZINC000852207720	CF	On-Demand	Anodyne	SLC6A4	15	44
O[C@@H]1CCCN(CCOC(F)F)[C@H]1CCc1ccccc1	ZINC000852207720	CF	On-Demand	Anodyne	SLC6A3	43	44
O[C@@H]1CCCN(CCOC(F)F)[C@H]1CCc1ccccc1	ZINC000852207720	CF	On-Demand	Anodyne	SLC18A2	53	41
O[C@@H]1CCCN(CCOC(F)F)[C@H]1CCc1ccccc1	ZINC000852207720	CF	On-Demand	Anodyne	SIGMAR1	28	40
CCC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852207762	FD	On-Demand	Anodyne	EPHX2	24	44
CCC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852207763	FD	On-Demand	Anodyne	EPHX2	24	44
CCC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852207764	FD	On-Demand	Anodyne	EPHX2	24	44
CCC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852207765	FD	On-Demand	Anodyne	EPHX2	24	44
CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852207797	CD	On-Demand	Anodyne	EPHX2	31	53
CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852207798	CD	On-Demand	Anodyne	EPHX2	31	53
CCC(=O)N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852207799	CD	On-Demand	Anodyne	EPHX2	31	53
CCC(=O)N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852207800	CD	On-Demand	Anodyne	EPHX2	31	53
CCC(=O)N1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852207806	GF	On-Demand	Anodyne	EPHX2	35	51
CCC(=O)N1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852207807	GF	On-Demand	Anodyne	EPHX2	35	51
O=C1N[C@H]2CN([C@@H]3CCC[C@H]3O)CC[C@@H]2CO1	ZINC000852207811	BC	On-Demand	Anodyne	SLC18A3	26	46
CCOc1ccc(C=NOCC(=O)Nc2cccc(F)c2)cc1	ZINC000852207961	DG	On-Demand	Mild	FAAH	18	43
COC[C@@H](CN(C)c1ccc(OC)cc1)OC	ZINC000852207984	BD	On-Demand	Clean	AOC3	15	43
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1CC=C(Cl)Cl	ZINC000852207998	EG	On-Demand	Anodyne	ADAM9	56	35
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852208013	GE	On-Demand	Anodyne	MMP3	18	48
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852208013	GE	On-Demand	Anodyne	CFTR	45	31
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852208013	GE	On-Demand	Anodyne	ADAM9	100	48
CCOP(=O)(OCC)[C@H](O)CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852208013	GE	On-Demand	Anodyne	MMP1	18	47
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852208015	GE	On-Demand	Anodyne	MMP3	18	48
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852208015	GE	On-Demand	Anodyne	CFTR	45	31
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852208015	GE	On-Demand	Anodyne	ADAM9	100	48
CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852208015	GE	On-Demand	Anodyne	MMP1	18	47
CCOc1ccc(C=NOCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1	ZINC000852208022	FI	On-Demand	Mild	G6PC	44	39
NC(=O)[C@@](O)(CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1)c1ccccc1	ZINC000852208029	GD	On-Demand	Anodyne	ADAM9	53	34
NC(=O)[C@](O)(CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1)c1ccccc1	ZINC000852208030	GD	On-Demand	Anodyne	ADAM9	53	34
CCC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852208090	FE	On-Demand	Anodyne	EPHX2	27	48
CCC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852208090	FE	On-Demand	Anodyne	CCR8	63	37
CCC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852208092	FE	On-Demand	Anodyne	EPHX2	27	48
CCC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852208092	FE	On-Demand	Anodyne	CCR8	63	37
CCC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852208094	FE	On-Demand	Anodyne	EPHX2	27	48
CCC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852208094	FE	On-Demand	Anodyne	CCR8	63	37
CCC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852208096	FE	On-Demand	Anodyne	EPHX2	27	48
CCC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852208096	FE	On-Demand	Anodyne	CCR8	63	37
CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	ZINC000852208110	FC	On-Demand	Reactive	EPHX2	19	49
CCC(=O)N1CC[C@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C1	ZINC000852208111	FC	On-Demand	Reactive	EPHX2	19	49
C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)CC)C1)C1CCOCC1	ZINC000852208112	DC	On-Demand	Mild	EPHX2	15	43
C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)CC)C1)C1CCOCC1	ZINC000852208113	DC	On-Demand	Mild	EPHX2	15	43
C#C[C@@H](NC(=O)N[C@H]1CCN(C(=O)CC)C1)C1CCOCC1	ZINC000852208114	DC	On-Demand	Mild	EPHX2	15	43
C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)CC)C1)C1CCOCC1	ZINC000852208115	DC	On-Demand	Mild	EPHX2	15	43
CN(CCO[Si](C)(C)C(C)(C)C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852208118	FE	On-Demand	Reactive	AMY2	59	37
CN(CCO[Si](C)(C)C(C)(C)C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852208119	FE	On-Demand	Reactive	AMY2	59	37
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852208124	DD	On-Demand	Anodyne	EPHX2	32	45
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852208125	DD	On-Demand	Anodyne	EPHX2	32	45
CCC(=O)N1CC[C@@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852208132	ED	On-Demand	Anodyne	EPHX2	21	46
CCC(=O)N1CC[C@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852208133	ED	On-Demand	Anodyne	EPHX2	21	46
COC(=O)[C@H]1C[C@@H](O)CN(Cc2cccc(F)n2)C1	ZINC000852208159	CC	On-Demand	Anodyne	PDE8B	58	37
COC(=O)[C@@H]1C[C@H](O)CN(Cc2cccc(F)n2)C1	ZINC000852208161	CC	On-Demand	Anodyne	PDE8B	58	37
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cccc(F)n2)C1	ZINC000852208163	CC	On-Demand	Anodyne	PDE8B	58	37
COC(=O)[C@H]1C[C@H](O)CN(Cc2cccc(F)n2)C1	ZINC000852208165	CC	On-Demand	Anodyne	PDE8B	58	37
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1	ZINC000852208176	FH	On-Demand	Mild	FAAH	20	42
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1	ZINC000852208177	FH	On-Demand	Mild	FAAH	20	42
COCCN(C[C@H]1CNC(=O)C1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852208201	GD	On-Demand	Anodyne	GRIN2B	28	45
COCCN(C[C@@H]1CNC(=O)C1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852208202	GD	On-Demand	Anodyne	GRIN2B	28	45
CCOc1ccc(C=NOCC(=O)Nc2ccc(C)c(F)c2)cc1	ZINC000852208214	EH	On-Demand	Mild	FAAH	22	47
COCCN(C[C@@H]1CCC(=O)O1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852208215	GE	On-Demand	Anodyne	GRIN2B	20	41
COCCN(C[C@H]1CCC(=O)O1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852208216	GE	On-Demand	Anodyne	GRIN2B	20	41
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	DRD4	29	56
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	ACHE	22	45
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	CHRM3	18	42
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	SIGMAR1	37	63
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	SSTR5	44	36
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	CCR3	24	44
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	UTS2R	18	43
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	SLC6A5	29	43
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	EPHX2	29	47
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	CXCR3	33	44
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@H]1C=CCC1	ZINC000852208331	GG	On-Demand	Anodyne	MCHR1	40	45
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	DRD4	29	56
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	ACHE	22	45
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	CHRM3	18	42
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	SIGMAR1	37	63
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	SSTR5	44	36
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	CCR3	24	44
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	UTS2R	18	43
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	SLC6A5	29	43
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	EPHX2	29	47
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	CXCR3	33	44
O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)N[C@@H]1C=CCC1	ZINC000852208332	GG	On-Demand	Anodyne	MCHR1	40	45
O=C1CC[C@H](CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)O1	ZINC000852208335	DD	On-Demand	Anodyne	ADAM9	53	33
O=C1CC[C@@H](CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)O1	ZINC000852208336	DD	On-Demand	Anodyne	ADAM9	53	33
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852208349	GG	On-Demand	Anodyne	CTSK	15	44
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852208349	GG	On-Demand	Anodyne	FPR1	43	35
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1C[C@H](O)c1ccccn1	ZINC000852208361	ED	On-Demand	Anodyne	ADAM9	52	33
CCC(=O)N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852208376	DD	On-Demand	Anodyne	EPHX2	20	54
CCC(=O)N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852208377	DD	On-Demand	Anodyne	EPHX2	20	54
CCC(=O)N1CC[C@H](NC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1	ZINC000852208405	GE	On-Demand	Anodyne	EPHX2	34	47
CCC(=O)N1CC[C@@H](NC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1	ZINC000852208406	GE	On-Demand	Anodyne	EPHX2	34	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCS(C)(=O)=O)C2)cc1	ZINC000852208420	FD	On-Demand	Clean	MMP13	44	36
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCS(C)(=O)=O)C2)cc1	ZINC000852208420	FD	On-Demand	Clean	MMP3	40	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCS(C)(=O)=O)C2)cc1	ZINC000852208421	FD	On-Demand	Clean	MMP13	44	36
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCS(C)(=O)=O)C2)cc1	ZINC000852208421	FD	On-Demand	Clean	MMP3	40	35
CCC(=O)N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852208439	DD	On-Demand	Reactive	EPHX2	30	53
CCC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852208440	DD	On-Demand	Reactive	EPHX2	30	53
CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1	ZINC000852208447	GD	On-Demand	Anodyne	EPHX2	20	41
CCC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1	ZINC000852208448	GD	On-Demand	Anodyne	EPHX2	20	41
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1C[C@@H](O)c1ccccn1	ZINC000852208462	ED	On-Demand	Anodyne	ADAM9	52	33
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)NCC4(c5ccccc5)CC4)C3=O)ccc2c1	ZINC000852208487	JG	On-Demand	Anodyne	KCNA3	45	39
NC(=O)[C@](O)(CN1CCC(C2(O)CC2)CC1)c1ccccc1	ZINC000852208496	DC	On-Demand	Anodyne	CHRM3	40	38
NC(=O)[C@](O)(CN1CCC(C2(O)CC2)CC1)c1ccccc1	ZINC000852208496	DC	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@@](O)(CN1CCC(C2(O)CC2)CC1)c1ccccc1	ZINC000852208499	DC	On-Demand	Anodyne	CHRM3	40	38
NC(=O)[C@@](O)(CN1CCC(C2(O)CC2)CC1)c1ccccc1	ZINC000852208499	DC	On-Demand	Anodyne	CYP2J2	48	34
CCOP(=O)(OCC)[C@H](O)CN1CCc2cccc(C(=O)OC)c2C1	ZINC000852208504	FE	On-Demand	Anodyne	ADAM9	51	33
CCOP(=O)(OCC)[C@H](O)CN1CCc2cccc(C(=O)OC)c2C1	ZINC000852208504	FE	On-Demand	Anodyne	NOD2	43	39
CCOP(=O)(OCC)[C@@H](O)CN1CCc2cccc(C(=O)OC)c2C1	ZINC000852208506	FE	On-Demand	Anodyne	ADAM9	51	33
CCOP(=O)(OCC)[C@@H](O)CN1CCc2cccc(C(=O)OC)c2C1	ZINC000852208506	FE	On-Demand	Anodyne	NOD2	43	39
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C3)C2)cc1	ZINC000852208552	GI	On-Demand	Anodyne	CTSK	23	41
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C3)C2)cc1	ZINC000852208552	GI	On-Demand	Anodyne	CACNA1B	15	40
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C3)C2)cc1	ZINC000852208552	GI	On-Demand	Anodyne	FPR1	42	32
CCCCN(CCOC(F)F)[C@@H]1CCc2ncsc2C1	ZINC000852208577	DG	On-Demand	Anodyne	DRD3	19	40
CCCCN(CCOC(F)F)[C@H]1CCc2ncsc2C1	ZINC000852208578	DG	On-Demand	Anodyne	DRD3	19	40
CCC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852208670	FE	On-Demand	Anodyne	EPHX2	29	59
CCC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852208671	FE	On-Demand	Anodyne	EPHX2	29	59
CCC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852208672	FE	On-Demand	Anodyne	EPHX2	29	59
CCC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852208673	FE	On-Demand	Anodyne	EPHX2	29	59
CCC(=O)N1CC[C@@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1	ZINC000852208723	GE	On-Demand	Anodyne	EPHX2	18	46
CCC(=O)N1CC[C@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1	ZINC000852208724	GE	On-Demand	Anodyne	EPHX2	18	46
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCc5[nH]c6ccccc6c5C4)C3=O)ccc2c1	ZINC000852208732	JH	On-Demand	Anodyne	SSTR4	48	33
O[C@H]1CCCN(Cc2cnon2)[C@@H]1CCc1ccccc1	ZINC000852208843	CE	On-Demand	Anodyne	SLC18A2	41	34
O[C@H]1CCCN(Cc2cnon2)[C@H]1CCc1ccccc1	ZINC000852208845	CE	On-Demand	Anodyne	SLC18A2	41	34
O[C@@H]1CCCN(Cc2cnon2)[C@@H]1CCc1ccccc1	ZINC000852208847	CE	On-Demand	Anodyne	SLC18A2	41	34
O[C@@H]1CCCN(Cc2cnon2)[C@H]1CCc1ccccc1	ZINC000852208849	CE	On-Demand	Anodyne	SLC18A2	41	34
CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1cccc(N)c1)C2	ZINC000852208867	EG	On-Demand	Anodyne	HRH2	18	40
CCOc1ccc(C=NOCC(=O)NCc2cccc(Cl)c2)cc1	ZINC000852208906	EG	On-Demand	Mild	ADRB1	15	40
CCOc1ccc(C=NOCC(=O)NCc2cccc(Cl)c2)cc1	ZINC000852208906	EG	On-Demand	Mild	MAOB	28	42
CCOc1ccc(C=NOCC(=O)NCc2cccc(Cl)c2)cc1	ZINC000852208906	EG	On-Demand	Mild	PDS	92	47
C=C(C)COCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852208950	EE	On-Demand	Mild	MTNR1A	19	45
C=C(C)COCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852208951	EE	On-Demand	Mild	MTNR1A	19	45
CCC(=O)N1CC[C@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1	ZINC000852209002	FE	On-Demand	Anodyne	EPHX2	21	47
CCC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1	ZINC000852209003	FE	On-Demand	Anodyne	EPHX2	21	47
CCC(=O)N1CC[C@@H](NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)C1	ZINC000852209051	FD	On-Demand	Anodyne	EPHX2	19	42
CCC(=O)N1CC[C@H](NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)C1	ZINC000852209052	FD	On-Demand	Anodyne	EPHX2	19	42
CCC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1	ZINC000852209053	FD	On-Demand	Anodyne	EPHX2	19	42
CCC(=O)N1CC[C@H](NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)C1	ZINC000852209054	FD	On-Demand	Anodyne	EPHX2	19	42
CCOc1ccc(C=NOCC(=O)Nc2ccc(OC(F)F)cc2)cc1	ZINC000852209055	FH	On-Demand	Mild	FAAH	21	47
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1	ZINC000852209074	FH	On-Demand	Anodyne	CTSK	27	41
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)cc1	ZINC000852209075	FH	On-Demand	Anodyne	CTSK	27	41
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)cc1	ZINC000852209076	FH	On-Demand	Anodyne	CTSK	27	41
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)cc1	ZINC000852209077	FH	On-Demand	Anodyne	CTSK	27	41
C#CC1CCN(Cc2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000852209190	CD	On-Demand	Mild	HRH3	18	40
CCOc1ccc(C=NOCC(=O)NCCc2ccc(Cl)cc2)cc1	ZINC000852209192	FG	On-Demand	Mild	ADRB1	21	40
O=C1CC[C@H](CN2CCC[C@@H](O)[C@H]2CCc2ccccc2)O1	ZINC000852209194	DE	On-Demand	Anodyne	SLC18A2	43	35
O=C1CC[C@H](CN2CCC[C@H](O)[C@@H]2CCc2ccccc2)O1	ZINC000852209195	DE	On-Demand	Anodyne	SLC18A2	43	35
O=C1CC[C@H](CN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)O1	ZINC000852209198	DE	On-Demand	Anodyne	SLC18A2	43	35
O=C1CC[C@H](CN2CCC[C@H](O)[C@H]2CCc2ccccc2)O1	ZINC000852209199	DE	On-Demand	Anodyne	SLC18A2	43	35
COCCN(CCc1cnn[nH]1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852209268	GE	On-Demand	Anodyne	GRIN2B	22	43
CCOc1ccc(C=NOCC(=O)NCc2ccc(F)cc2)cc1	ZINC000852209274	EF	On-Demand	Mild	FAAH	17	44
CCOc1ccc(C=NOCC(=O)NCc2ccc(F)cc2)cc1	ZINC000852209274	EF	On-Demand	Mild	PDS	47	35
CC(C)(C)OC(=O)N1CCO[C@H](CN[C@@H](CCO)c2ccccc2F)C1	ZINC000852209292	FE	On-Demand	Anodyne	GPR119	19	42
CC(C)(C)OC(=O)N1CCO[C@H](CN[C@H](CCO)c2ccccc2F)C1	ZINC000852209294	FE	On-Demand	Anodyne	GPR119	19	42
CC(C)(C)OC(=O)N1CCO[C@@H](CN[C@H](CCO)c2ccccc2F)C1	ZINC000852209295	FE	On-Demand	Anodyne	GPR119	19	42
CC(C)(C)OC(=O)N1CCO[C@@H](CN[C@@H](CCO)c2ccccc2F)C1	ZINC000852209297	FE	On-Demand	Anodyne	GPR119	19	42
NC(=O)[C@](O)(CN1CCC[C@H](O)[C@@H]1CCc1ccccc1)c1ccccc1	ZINC000852209307	FD	On-Demand	Anodyne	SLC18A2	41	35
NC(=O)[C@](O)(CN1CCC[C@H](O)[C@@H]1CCc1ccccc1)c1ccccc1	ZINC000852209307	FD	On-Demand	Anodyne	PREP	46	35
NC(=O)[C@](O)(CN1CCC[C@H](O)[C@@H]1CCc1ccccc1)c1ccccc1	ZINC000852209307	FD	On-Demand	Anodyne	CYP2J2	45	33
CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852209321	CD	On-Demand	Anodyne	EPHX2	19	53
CCC(=O)N1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852209322	CD	On-Demand	Anodyne	EPHX2	19	53
CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852209323	CD	On-Demand	Anodyne	EPHX2	19	53
CCC(=O)N1CC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852209324	CD	On-Demand	Anodyne	EPHX2	19	53
NC(=O)[C@](O)(CN1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccccc1	ZINC000852209332	DB	On-Demand	Anodyne	CHRM3	18	40
NC(=O)[C@](O)(CN1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccccc1	ZINC000852209332	DB	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@@](O)(CN1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccccc1	ZINC000852209333	DB	On-Demand	Anodyne	CHRM3	18	40
NC(=O)[C@@](O)(CN1CC[C@@H]2COC(=O)N[C@H]2C1)c1ccccc1	ZINC000852209333	DB	On-Demand	Anodyne	CYP2J2	46	32
CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000852209350	HD	On-Demand	Bother	MMP8	27	45
CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000852209350	HD	On-Demand	Bother	MMP1	18	45
CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000852209350	HD	On-Demand	Bother	AKR1C3	20	43
NC(=O)[C@](O)(CN1CCC[C@@H](O)[C@H]1CCc1ccccc1)c1ccccc1	ZINC000852209362	FD	On-Demand	Anodyne	SLC18A2	41	35
NC(=O)[C@](O)(CN1CCC[C@@H](O)[C@H]1CCc1ccccc1)c1ccccc1	ZINC000852209362	FD	On-Demand	Anodyne	PREP	46	35
NC(=O)[C@](O)(CN1CCC[C@@H](O)[C@H]1CCc1ccccc1)c1ccccc1	ZINC000852209362	FD	On-Demand	Anodyne	CYP2J2	45	33
NC(=O)[C@](O)(CN1CCC[C@H](O)[C@H]1CCc1ccccc1)c1ccccc1	ZINC000852209363	FD	On-Demand	Anodyne	SLC18A2	41	35
NC(=O)[C@](O)(CN1CCC[C@H](O)[C@H]1CCc1ccccc1)c1ccccc1	ZINC000852209363	FD	On-Demand	Anodyne	PREP	46	35
NC(=O)[C@](O)(CN1CCC[C@H](O)[C@H]1CCc1ccccc1)c1ccccc1	ZINC000852209363	FD	On-Demand	Anodyne	CYP2J2	45	33
NC(=O)[C@](O)(CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1)c1ccccc1	ZINC000852209364	FD	On-Demand	Anodyne	SLC18A2	41	35
NC(=O)[C@](O)(CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1)c1ccccc1	ZINC000852209364	FD	On-Demand	Anodyne	PREP	46	35
NC(=O)[C@](O)(CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1)c1ccccc1	ZINC000852209364	FD	On-Demand	Anodyne	CYP2J2	45	33
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1cccc(F)n1	ZINC000852209421	EE	On-Demand	Anodyne	ADAM9	58	35
C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNC(=O)NCCC(C)(C)F)cc1	ZINC000852209425	GI	On-Demand	Anodyne	FPR1	41	33
CCC(=O)N1CC[C@H](NC(=O)NCCN(C)C(=O)OC)C1	ZINC000852209491	DB	On-Demand	Anodyne	EPHX2	17	52
CCC(=O)N1CC[C@@H](NC(=O)NCCN(C)C(=O)OC)C1	ZINC000852209492	DB	On-Demand	Anodyne	EPHX2	17	52
NC(=O)[C@](O)(CN1CCCC[C@@H]1C1CCC1)c1ccccc1	ZINC000852209501	DE	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@](O)(CN1CCCC[C@@H]1C1CCC1)c1ccccc1	ZINC000852209501	DE	On-Demand	Anodyne	CHRM1	21	40
NC(=O)[C@](O)(CN1CCCC[C@@H]1C1CCC1)c1ccccc1	ZINC000852209501	DE	On-Demand	Anodyne	CHRM3	35	40
NC(=O)[C@](O)(CN1CCCC[C@@H]1C1CCC1)c1ccccc1	ZINC000852209501	DE	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@@](O)(CN1CCCC[C@H]1C1CCC1)c1ccccc1	ZINC000852209502	DE	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@@](O)(CN1CCCC[C@H]1C1CCC1)c1ccccc1	ZINC000852209502	DE	On-Demand	Anodyne	CHRM1	21	40
NC(=O)[C@@](O)(CN1CCCC[C@H]1C1CCC1)c1ccccc1	ZINC000852209502	DE	On-Demand	Anodyne	CHRM3	35	40
NC(=O)[C@@](O)(CN1CCCC[C@H]1C1CCC1)c1ccccc1	ZINC000852209502	DE	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@@](O)(CN1CCCC[C@@H]1C1CCC1)c1ccccc1	ZINC000852209503	DE	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@@](O)(CN1CCCC[C@@H]1C1CCC1)c1ccccc1	ZINC000852209503	DE	On-Demand	Anodyne	CHRM1	21	40
NC(=O)[C@@](O)(CN1CCCC[C@@H]1C1CCC1)c1ccccc1	ZINC000852209503	DE	On-Demand	Anodyne	CHRM3	35	40
NC(=O)[C@@](O)(CN1CCCC[C@@H]1C1CCC1)c1ccccc1	ZINC000852209503	DE	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@](O)(CN1CCCC[C@H]1C1CCC1)c1ccccc1	ZINC000852209504	DE	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@](O)(CN1CCCC[C@H]1C1CCC1)c1ccccc1	ZINC000852209504	DE	On-Demand	Anodyne	CHRM1	21	40
NC(=O)[C@](O)(CN1CCCC[C@H]1C1CCC1)c1ccccc1	ZINC000852209504	DE	On-Demand	Anodyne	CHRM3	35	40
NC(=O)[C@](O)(CN1CCCC[C@H]1C1CCC1)c1ccccc1	ZINC000852209504	DE	On-Demand	Anodyne	AMY2	45	31
CCC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)C1	ZINC000852209541	FD	On-Demand	Anodyne	EPHX2	36	48
CCC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(C(=O)OC)n2)C1	ZINC000852209542	FD	On-Demand	Anodyne	EPHX2	36	48
C#CCOCCN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1	ZINC000852209623	CD	On-Demand	Mild	ADAM9	59	34
CCC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCCNC3=O)cc2)C1	ZINC000852209687	FD	On-Demand	Anodyne	EPHX2	19	44
CCC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCCNC3=O)cc2)C1	ZINC000852209688	FD	On-Demand	Anodyne	EPHX2	19	44
CCC(=O)N1CC[C@@H](NC(=O)NCC2SCCS2)C1	ZINC000852209706	DD	On-Demand	Anodyne	EPHX2	26	50
CCC(=O)N1CC[C@H](NC(=O)NCC2SCCS2)C1	ZINC000852209707	DD	On-Demand	Anodyne	EPHX2	26	50
CCC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852209716	FD	On-Demand	Clean	EPHX2	29	48
CCC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852209717	FD	On-Demand	Clean	EPHX2	29	48
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209767	GE	On-Demand	Anodyne	C3AR1	25	42
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209768	GE	On-Demand	Anodyne	C3AR1	25	42
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209769	GE	On-Demand	Anodyne	C3AR1	25	42
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209770	GE	On-Demand	Anodyne	C3AR1	25	42
CCC(=O)N1CC[C@@H](NC(=O)N2CCC(NC(=O)OC)CC2)C1	ZINC000852209776	EC	On-Demand	Anodyne	EPHX2	21	50
CCC(=O)N1CC[C@H](NC(=O)N2CCC(NC(=O)OC)CC2)C1	ZINC000852209777	EC	On-Demand	Anodyne	EPHX2	21	50
O=C(NCc1ncccn1)NC(CCc1ccccc1)CCc1ccccc1	ZINC000852209784	FH	On-Demand	Anodyne	MME	49	37
O=C(NCc1ncccn1)NC(CCc1ccccc1)CCc1ccccc1	ZINC000852209784	FH	On-Demand	Anodyne	ANPEP	53	44
O=C(NCc1ncccn1)NC(CCc1ccccc1)CCc1ccccc1	ZINC000852209784	FH	On-Demand	Anodyne	LAP3	47	35
O=C(NCc1ncccn1)NC(CCc1ccccc1)CCc1ccccc1	ZINC000852209784	FH	On-Demand	Anodyne	AMP1_PLAFQ	41	36
O=C(CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1)Nc1ccc(Cl)nc1	ZINC000852209799	GE	On-Demand	Anodyne	CFTR	61	47
C=C[C@H](CO)NC(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	ZINC000852209810	FF	On-Demand	Mild	CTSK	18	45
C=C[C@H](CO)NC(=O)NCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1	ZINC000852209810	FF	On-Demand	Mild	FPR1	44	34
C=C[C@H](CO)NC(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	ZINC000852209811	FF	On-Demand	Mild	CTSK	18	45
C=C[C@H](CO)NC(=O)NCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1	ZINC000852209811	FF	On-Demand	Mild	FPR1	44	34
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	BMP1	82	40
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	MMP13	56	42
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	MMP2	32	42
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	MMP3	48	45
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	MMP8	31	42
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	MMP9	50	42
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	MMP12	29	42
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	CA9	17	40
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	MMP1	51	42
CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)cc2)cc1	ZINC000852209838	DE	On-Demand	Clean	FFAR4	22	41
C#CCOCCN1CCC(c2ccc(OC)cn2)CC1	ZINC000852209841	CD	On-Demand	Mild	HRH3	33	41
O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N[C@H]1C=CCC1	ZINC000852209909	CD	On-Demand	Anodyne	EPHX2	23	41
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209910	CD	On-Demand	Anodyne	EPHX2	23	41
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209911	CD	On-Demand	Anodyne	EPHX2	23	41
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209912	CD	On-Demand	Anodyne	EPHX2	23	41
CCC(=O)N1CC[C@H](NC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)C1	ZINC000852209913	GD	On-Demand	Anodyne	EPHX2	22	44
CCC(=O)N1CC[C@@H](NC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)C1	ZINC000852209914	GD	On-Demand	Anodyne	EPHX2	22	44
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209936	GD	On-Demand	Anodyne	EPHX2	27	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209937	GD	On-Demand	Anodyne	EPHX2	27	40
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209938	GD	On-Demand	Anodyne	EPHX2	27	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852209939	GD	On-Demand	Anodyne	EPHX2	27	40
CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209940	FD	On-Demand	Clean	MTNR1A	19	51
CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209940	FD	On-Demand	Clean	MTNR1B	21	51
CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209940	FD	On-Demand	Clean	EPHX2	37	62
CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209941	FD	On-Demand	Clean	MTNR1A	19	51
CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209941	FD	On-Demand	Clean	MTNR1B	21	51
CCC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209941	FD	On-Demand	Clean	EPHX2	37	62
CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209942	FD	On-Demand	Clean	MTNR1A	19	51
CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209942	FD	On-Demand	Clean	MTNR1B	21	51
CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209942	FD	On-Demand	Clean	EPHX2	37	62
CCC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209943	FD	On-Demand	Clean	MTNR1A	19	51
CCC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209943	FD	On-Demand	Clean	MTNR1B	21	51
CCC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852209943	FD	On-Demand	Clean	EPHX2	37	62
CCC(=O)N1CC[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C1	ZINC000852209944	FC	On-Demand	Anodyne	EPHX2	28	50
CCC(=O)N1CC[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)C1	ZINC000852209945	FC	On-Demand	Anodyne	EPHX2	28	50
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1CCn1cnc(Br)n1	ZINC000852209986	GD	On-Demand	Anodyne	ADAM9	58	33
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1CCOC(F)F	ZINC000852210024	DD	On-Demand	Anodyne	CFTR	51	32
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1CCOC(F)F	ZINC000852210024	DD	On-Demand	Anodyne	ADAM9	61	35
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1CC(F)(F)Br	ZINC000852210029	FF	On-Demand	Anodyne	MMP3	19	40
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1CC(F)(F)Br	ZINC000852210029	FF	On-Demand	Anodyne	MMP8	19	40
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1CC(F)(F)Br	ZINC000852210029	FF	On-Demand	Anodyne	ADAM9	61	37
CCOc1ccc(C=NOCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1	ZINC000852210072	GK	On-Demand	Mild	SOAT1	56	42
N#Cc1ccc(CCN2CC[C@H]3COC(=O)N[C@@H]3C2)cc1	ZINC000852210095	CD	On-Demand	Mild	KCNJ1	49	44
COC(=O)c1ccc2nc(CN3CC[C@@H]4COC(=O)N[C@H]4C3)[nH]c2c1	ZINC000852210096	ED	On-Demand	Anodyne	WNT3A	44	32
C[C@H](CCS(C)(=O)=O)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852210118	GF	On-Demand	Anodyne	ROCK2	15	40
C[C@H](CCS(C)(=O)=O)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852210118	GF	On-Demand	Anodyne	FPR1	44	32
C[C@@H](CCS(C)(=O)=O)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852210119	GF	On-Demand	Anodyne	ROCK2	15	40
C[C@@H](CCS(C)(=O)=O)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852210119	GF	On-Demand	Anodyne	FPR1	44	32
CCC(=O)N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852210123	EC	On-Demand	Anodyne	EPHX2	30	50
CCC(=O)N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852210124	EC	On-Demand	Anodyne	EPHX2	30	50
CCC(=O)N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852210125	EC	On-Demand	Anodyne	EPHX2	30	50
CCC(=O)N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852210126	EC	On-Demand	Anodyne	EPHX2	30	50
CCOc1ccc(C=NOCC(=O)Nc2ccccc2-c2ccccc2)cc1	ZINC000852210128	FJ	On-Demand	Mild	FAAH	19	41
C#CCOCCN1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000852210177	DE	On-Demand	Mild	HTR1A	71	44
C#CCOCCN1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000852210177	DE	On-Demand	Mild	DRD2	62	44
C#CCOCCN1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000852210177	DE	On-Demand	Mild	DRD1	22	44
C#CCOCCN1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000852210177	DE	On-Demand	Mild	DRD4	50	44
C#CCOCCN1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000852210177	DE	On-Demand	Mild	HTR2A	30	42
C#CCOCCN1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000852210177	DE	On-Demand	Mild	DRD3	69	44
C#CCOCCN1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000852210177	DE	On-Demand	Mild	HTR7	46	40
C#CCOCCN1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000852210177	DE	On-Demand	Mild	SIGMAR1	23	42
C[C@H](CSc1ccccc1)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852210183	EE	On-Demand	Anodyne	KIF11	28	40
C[C@H](CSc1ccccc1)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852210184	EE	On-Demand	Anodyne	KIF11	28	40
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852210187	FC	On-Demand	Reactive	EPHX2	21	43
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCN(C(=O)C2CCCC2)C1	ZINC000852210189	FC	On-Demand	Reactive	EPHX2	21	43
O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1cnon1	ZINC000852210243	CD	On-Demand	Anodyne	ADAM9	58	34
O[C@@]1(c2ccc(Cl)cc2)CCCN(CCOC(F)F)C1	ZINC000852210275	DF	On-Demand	Anodyne	CCR1	66	41
O[C@]1(c2ccc(Cl)cc2)CCCN(CCOC(F)F)C1	ZINC000852210276	DF	On-Demand	Anodyne	CCR1	66	41
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210291	ED	On-Demand	Anodyne	CTSB	23	42
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210291	ED	On-Demand	Anodyne	CTSK	22	42
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210291	ED	On-Demand	Anodyne	CTSL	35	41
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210291	ED	On-Demand	Anodyne	CAPNS1	42	31
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210291	ED	On-Demand	Anodyne	CAPN2	50	34
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210291	ED	On-Demand	Anodyne	NAAA	68	39
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210292	ED	On-Demand	Anodyne	CTSB	23	42
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210292	ED	On-Demand	Anodyne	CTSK	22	42
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210292	ED	On-Demand	Anodyne	CTSL	35	41
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210292	ED	On-Demand	Anodyne	CAPNS1	42	31
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210292	ED	On-Demand	Anodyne	CAPN2	50	34
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210292	ED	On-Demand	Anodyne	NAAA	68	39
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210293	ED	On-Demand	Anodyne	CTSB	23	42
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210293	ED	On-Demand	Anodyne	CTSK	22	42
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210293	ED	On-Demand	Anodyne	CTSL	35	41
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210293	ED	On-Demand	Anodyne	CAPNS1	42	31
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210293	ED	On-Demand	Anodyne	CAPN2	50	34
CCN1OC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210293	ED	On-Demand	Anodyne	NAAA	68	39
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210294	ED	On-Demand	Anodyne	CTSB	23	42
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210294	ED	On-Demand	Anodyne	CTSK	22	42
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210294	ED	On-Demand	Anodyne	CTSL	35	41
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210294	ED	On-Demand	Anodyne	CAPNS1	42	31
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210294	ED	On-Demand	Anodyne	CAPN2	50	34
CCN1OC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852210294	ED	On-Demand	Anodyne	NAAA	68	39
CCNS(=O)(=O)c1ccc(CNC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852210339	GD	On-Demand	Anodyne	EPHX2	30	41
CCNS(=O)(=O)c1ccc(CNC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852210339	GD	On-Demand	Anodyne	CCR8	46	37
CCNS(=O)(=O)c1ccc(CNC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852210339	GD	On-Demand	Anodyne	NAMPT	40	41
Cc1nc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c(C)o1	ZINC000852210344	DG	On-Demand	Anodyne	CCR1	44	41
Cc1nc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)c(C)o1	ZINC000852210345	DG	On-Demand	Anodyne	CCR1	44	41
O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210376	FG	On-Demand	Anodyne	CCR1	31	48
O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210377	FG	On-Demand	Anodyne	CCR1	31	48
O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210378	FG	On-Demand	Anodyne	CCR1	31	48
O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210379	FG	On-Demand	Anodyne	CCR1	31	48
O=C(CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1)Nc1cnccn1	ZINC000852210412	EE	On-Demand	Anodyne	CCR1	48	37
O=C(CN1CCC[C@](O)(c2ccc(Cl)cc2)C1)Nc1cnccn1	ZINC000852210413	EE	On-Demand	Anodyne	CCR1	48	37
O[C@@H]1CCC[C@H]1N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210421	CF	On-Demand	Anodyne	CCR1	51	45
O[C@@H]1CCC[C@H]1N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210421	CF	On-Demand	Anodyne	SLC18A3	33	68
O[C@@H]1CCC[C@H]1N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210422	CF	On-Demand	Anodyne	CCR1	51	45
O[C@@H]1CCC[C@H]1N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210422	CF	On-Demand	Anodyne	SLC18A3	33	68
O=C1CC[C@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)O1	ZINC000852210455	DE	On-Demand	Anodyne	CCR1	58	40
O=C1CC[C@@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)O1	ZINC000852210456	DE	On-Demand	Anodyne	CCR1	58	40
O=C1CC[C@@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)O1	ZINC000852210457	DE	On-Demand	Anodyne	CCR1	58	40
O=C1CC[C@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)O1	ZINC000852210458	DE	On-Demand	Anodyne	CCR1	58	40
OC1(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CCSCC1	ZINC000852210492	EF	On-Demand	Anodyne	CCR1	50	38
OC1(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)CCSCC1	ZINC000852210493	EF	On-Demand	Anodyne	CCR1	50	38
NC(=O)[C@](O)(CN1CCC2(CC1)C(F)(F)C2(F)F)c1ccccc1	ZINC000852210501	ED	On-Demand	Anodyne	CHRM1	18	40
NC(=O)[C@](O)(CN1CCC2(CC1)C(F)(F)C2(F)F)c1ccccc1	ZINC000852210501	ED	On-Demand	Anodyne	CHRM3	27	40
NC(=O)[C@@](O)(CN1CCC2(CC1)C(F)(F)C2(F)F)c1ccccc1	ZINC000852210502	ED	On-Demand	Anodyne	CHRM1	18	40
NC(=O)[C@@](O)(CN1CCC2(CC1)C(F)(F)C2(F)F)c1ccccc1	ZINC000852210502	ED	On-Demand	Anodyne	CHRM3	27	40
CCN1CC[C@H](N2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852210512	DE	On-Demand	Anodyne	CCR1	60	43
CCN1CC[C@@H](N2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852210513	DE	On-Demand	Anodyne	CCR1	60	43
CCN1CC[C@H](N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852210514	DE	On-Demand	Anodyne	CCR1	60	43
CCN1CC[C@@H](N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852210515	DE	On-Demand	Anodyne	CCR1	60	43
NC(=O)[C@](O)(CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852210530	FD	On-Demand	Anodyne	CCR1	74	46
NC(=O)[C@](O)(CN1CCC[C@](O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852210531	FD	On-Demand	Anodyne	CCR1	74	46
NC(=O)[C@@](O)(CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852210532	FD	On-Demand	Anodyne	CCR1	74	46
NC(=O)[C@@](O)(CN1CCC[C@](O)(c2ccc(Cl)cc2)C1)c1ccccc1	ZINC000852210533	FD	On-Demand	Anodyne	CCR1	74	46
O=S1(=O)N=C(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c2ccccc21	ZINC000852210541	GF	On-Demand	Anodyne	CCR1	57	42
O=S1(=O)N=C(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)c2ccccc21	ZINC000852210542	GF	On-Demand	Anodyne	CCR1	57	42
O[C@@H]1CCCC[C@H]1N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210568	DF	On-Demand	Anodyne	CCR1	51	45
O[C@@H]1CCCC[C@H]1N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210568	DF	On-Demand	Anodyne	SLC18A3	37	73
O[C@@H]1CCCC[C@H]1N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210569	DF	On-Demand	Anodyne	CCR1	51	45
O[C@@H]1CCCC[C@H]1N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210569	DF	On-Demand	Anodyne	SLC18A3	37	73
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210586	GH	On-Demand	Anodyne	CCR1	76	38
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210586	GH	On-Demand	Anodyne	Q8MHZ5_SHEEP	41	35
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210587	GH	On-Demand	Anodyne	CCR1	76	38
CC(C)(C)C(=O)N1CCC[C@@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210587	GH	On-Demand	Anodyne	Q8MHZ5_SHEEP	41	35
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210588	GH	On-Demand	Anodyne	CCR1	76	38
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210588	GH	On-Demand	Anodyne	Q8MHZ5_SHEEP	41	35
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210589	GH	On-Demand	Anodyne	CCR1	76	38
CC(C)(C)C(=O)N1CCC[C@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210589	GH	On-Demand	Anodyne	Q8MHZ5_SHEEP	41	35
NC(=O)[C@](O)(CN1CCCC(F)(F)C1)c1ccccc1	ZINC000852210624	CD	On-Demand	Anodyne	CHRM1	18	42
NC(=O)[C@](O)(CN1CCCC(F)(F)C1)c1ccccc1	ZINC000852210624	CD	On-Demand	Anodyne	CHRM3	24	42
NC(=O)[C@@](O)(CN1CCCC(F)(F)C1)c1ccccc1	ZINC000852210625	CD	On-Demand	Anodyne	CHRM1	18	42
NC(=O)[C@@](O)(CN1CCCC(F)(F)C1)c1ccccc1	ZINC000852210625	CD	On-Demand	Anodyne	CHRM3	24	42
CCN1OC[C@@H](N2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852210626	DD	On-Demand	Anodyne	CCR1	35	40
CCN1OC[C@H](N2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852210627	DD	On-Demand	Anodyne	CCR1	35	40
CCN1OC[C@H](N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852210628	DD	On-Demand	Anodyne	CCR1	35	40
CCN1OC[C@@H](N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1=O	ZINC000852210629	DD	On-Demand	Anodyne	CCR1	35	40
CC(=O)c1[nH]c(CCN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)nc1C	ZINC000852210632	FG	On-Demand	Anodyne	CCR1	51	37
CC(=O)c1[nH]c(CCN2CCC[C@](O)(c3ccc(Cl)cc3)C2)nc1C	ZINC000852210633	FG	On-Demand	Anodyne	CCR1	51	37
O[C@@]1(c2ccc(Cl)cc2)CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852210636	FH	On-Demand	Anodyne	DRD4	15	46
O[C@@]1(c2ccc(Cl)cc2)CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852210636	FH	On-Demand	Anodyne	CCR1	50	38
O[C@]1(c2ccc(Cl)cc2)CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852210637	FH	On-Demand	Anodyne	DRD4	15	46
O[C@]1(c2ccc(Cl)cc2)CCCN(Cc2cnc3ccccc3n2)C1	ZINC000852210637	FH	On-Demand	Anodyne	CCR1	50	38
CO[C@@H]1CC[C@@H](N2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210643	DG	On-Demand	Anodyne	CCR1	35	42
CO[C@@H]1CC[C@@H](N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852210645	DG	On-Demand	Anodyne	CCR1	35	42
COC(=O)N(C)CCNC(=O)NCCOc1cc(OC)cc(OC)c1	ZINC000852210650	FD	On-Demand	Anodyne	MTNR1A	22	47
COC(=O)N(C)CCNC(=O)NCCOc1cc(OC)cc(OC)c1	ZINC000852210650	FD	On-Demand	Anodyne	MTNR1B	19	47
N#C[C@H](c1ccccc1)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210672	EH	On-Demand	Mild	OPRL1	23	53
N#C[C@H](c1ccccc1)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210672	EH	On-Demand	Mild	CCR1	61	51
N#C[C@@H](c1ccccc1)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210673	EH	On-Demand	Mild	OPRL1	23	53
N#C[C@@H](c1ccccc1)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852210673	EH	On-Demand	Mild	CCR1	61	51
N#C[C@@H](c1ccccc1)N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210674	EH	On-Demand	Mild	OPRL1	23	53
N#C[C@@H](c1ccccc1)N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210674	EH	On-Demand	Mild	CCR1	61	51
N#C[C@H](c1ccccc1)N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210675	EH	On-Demand	Mild	OPRL1	23	53
N#C[C@H](c1ccccc1)N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852210675	EH	On-Demand	Mild	CCR1	61	51
O[C@H](CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1)c1ccccn1	ZINC000852210737	EF	On-Demand	Anodyne	CCR1	57	50
O[C@H](CN1CCC[C@](O)(c2ccc(Cl)cc2)C1)c1ccccn1	ZINC000852210738	EF	On-Demand	Anodyne	CCR1	57	50
O[C@@H](CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1)c1ccccn1	ZINC000852210739	EF	On-Demand	Anodyne	CCR1	57	50
O[C@@H](CN1CCC[C@](O)(c2ccc(Cl)cc2)C1)c1ccccn1	ZINC000852210740	EF	On-Demand	Anodyne	CCR1	57	50
C[C@@H]1C[C@H]1c1noc(CC2CCN(C[C@](O)(C(N)=O)c3ccccc3)CC2)n1	ZINC000852210762	GD	On-Demand	Anodyne	CYP2J2	46	33
C[C@@H]1C[C@H]1c1noc(CC2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)n1	ZINC000852210763	GD	On-Demand	Anodyne	CYP2J2	46	33
Cc1nc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210770	EF	On-Demand	Anodyne	CTSK	19	40
Cc1nc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210770	EF	On-Demand	Anodyne	CTSL	20	40
Cc1nc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210770	EF	On-Demand	Anodyne	PDE8B	57	33
Cc1nc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210770	EF	On-Demand	Anodyne	NAAA	47	36
Cc1nc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210770	EF	On-Demand	Anodyne	SLC12A5	44	32
Cc1nc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210771	EF	On-Demand	Anodyne	CTSK	19	40
Cc1nc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210771	EF	On-Demand	Anodyne	CTSL	20	40
Cc1nc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210771	EF	On-Demand	Anodyne	PDE8B	57	33
Cc1nc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210771	EF	On-Demand	Anodyne	NAAA	47	36
Cc1nc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c(C)o1	ZINC000852210771	EF	On-Demand	Anodyne	SLC12A5	44	32
COc1ccc(N2CC[C@H](NC(=O)NCc3cnn(CC(F)(F)F)c3)C2)cc1	ZINC000852210807	GF	On-Demand	Clean	MCHR1	15	43
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	ACE	24	45
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	CTSB	29	47
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	CTSK	29	47
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	CTSL	39	41
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	PREP	26	41
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	CAPNS1	47	30
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	CTSS	15	42
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	CASP1	15	40
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	CAPN2	67	35
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	TGM2	28	41
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	F13A1	25	41
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	NAAA	69	40
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	SLC12A5	65	36
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210922	EE	On-Demand	Anodyne	Q9NAW4_PLAFA	37	43
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	ACE	24	45
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	CTSB	29	47
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	CTSK	29	47
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	CTSL	39	41
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	PREP	26	41
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	CAPNS1	47	30
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	CTSS	15	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	CASP1	15	40
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	CAPN2	67	35
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	TGM2	28	41
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	F13A1	25	41
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	NAAA	69	40
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	SLC12A5	65	36
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCCC[C@H]1O)C2)OCc1ccccc1	ZINC000852210923	EE	On-Demand	Anodyne	Q9NAW4_PLAFA	37	43
O[C@@]1(c2ccc(Cl)cc2)CCCN(CCO[C@@H]2CC2(F)F)C1	ZINC000852210928	EG	On-Demand	Anodyne	CCR1	48	38
O[C@@]1(c2ccc(Cl)cc2)CCCN(CCO[C@H]2CC2(F)F)C1	ZINC000852210929	EG	On-Demand	Anodyne	CCR1	48	38
O[C@]1(c2ccc(Cl)cc2)CCCN(CCO[C@@H]2CC2(F)F)C1	ZINC000852210930	EG	On-Demand	Anodyne	CCR1	48	38
O[C@]1(c2ccc(Cl)cc2)CCCN(CCO[C@H]2CC2(F)F)C1	ZINC000852210931	EG	On-Demand	Anodyne	CCR1	48	38
C[C@@H]1CN(CCN2CCC[C@](O)(c3ccc(Cl)cc3)C2)C[C@@H](C)O1	ZINC000852210937	FF	On-Demand	Anodyne	CCR1	71	41
C[C@@H]1CN(CCN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C[C@@H](C)O1	ZINC000852210939	FF	On-Demand	Anodyne	CCR1	71	41
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210976	GE	On-Demand	Anodyne	ACE	20	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210976	GE	On-Demand	Anodyne	CTSK	19	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210976	GE	On-Demand	Anodyne	CTSL	24	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210976	GE	On-Demand	Anodyne	NAAA	46	40
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210976	GE	On-Demand	Anodyne	SLC12A5	45	33
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210977	GE	On-Demand	Anodyne	ACE	20	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210977	GE	On-Demand	Anodyne	CTSK	19	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210977	GE	On-Demand	Anodyne	CTSL	24	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210977	GE	On-Demand	Anodyne	NAAA	46	40
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210977	GE	On-Demand	Anodyne	SLC12A5	45	33
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210978	GE	On-Demand	Anodyne	ACE	20	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210978	GE	On-Demand	Anodyne	CTSK	19	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210978	GE	On-Demand	Anodyne	CTSL	24	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210978	GE	On-Demand	Anodyne	NAAA	46	40
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@H]3CCCC[C@@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210978	GE	On-Demand	Anodyne	SLC12A5	45	33
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210979	GE	On-Demand	Anodyne	ACE	20	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210979	GE	On-Demand	Anodyne	CTSK	19	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210979	GE	On-Demand	Anodyne	CTSL	24	42
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210979	GE	On-Demand	Anodyne	NAAA	46	40
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)C2)OCc1ccccc1	ZINC000852210979	GE	On-Demand	Anodyne	SLC12A5	45	33
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210981	FF	On-Demand	Anodyne	CTSB	20	41
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210981	FF	On-Demand	Anodyne	CTSK	24	41
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210981	FF	On-Demand	Anodyne	NPR	46	32
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210981	FF	On-Demand	Anodyne	NAAA	63	39
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210981	FF	On-Demand	Anodyne	SLC12A5	65	34
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210981	FF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	40
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210982	FF	On-Demand	Anodyne	CTSB	20	41
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210982	FF	On-Demand	Anodyne	CTSK	24	41
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210982	FF	On-Demand	Anodyne	NPR	46	32
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210982	FF	On-Demand	Anodyne	NAAA	63	39
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210982	FF	On-Demand	Anodyne	SLC12A5	65	34
C[C@H]1C[C@@H](C)CN(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1	ZINC000852210982	FF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	40
CCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852211065	DD	On-Demand	Anodyne	NAMPT	54	37
CCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C=CCC2)cc1	ZINC000852211066	DD	On-Demand	Anodyne	NAMPT	54	37
O[C@]1(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)CCCOC1	ZINC000852211073	EE	On-Demand	Anodyne	CCR1	42	36
O[C@]1(c2ccc(Cl)cc2)CCCN(C[C@]2(O)CCCOC2)C1	ZINC000852211074	EE	On-Demand	Anodyne	CCR1	42	36
O[C@]1(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CCCOC1	ZINC000852211075	EE	On-Demand	Anodyne	CCR1	42	36
O[C@@]1(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CCCOC1	ZINC000852211076	EE	On-Demand	Anodyne	CCR1	42	36
O=C(CN1CCC[C@](O)(c2ccc(Cl)cc2)C1)Nc1ccc(Cl)nc1	ZINC000852211077	GG	On-Demand	Anodyne	CCR1	47	36
O=C(CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1)Nc1ccc(Cl)nc1	ZINC000852211078	GG	On-Demand	Anodyne	CCR1	47	36
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1(O)CCSCC1)C2)OCc1ccccc1	ZINC000852211177	FE	On-Demand	Anodyne	CTSK	17	41
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1(O)CCSCC1)C2)OCc1ccccc1	ZINC000852211177	FE	On-Demand	Anodyne	CTSL	21	41
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1(O)CCSCC1)C2)OCc1ccccc1	ZINC000852211177	FE	On-Demand	Anodyne	SLC12A5	68	37
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1(O)CCSCC1)C2)OCc1ccccc1	ZINC000852211178	FE	On-Demand	Anodyne	CTSK	17	41
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1(O)CCSCC1)C2)OCc1ccccc1	ZINC000852211178	FE	On-Demand	Anodyne	CTSL	21	41
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1(O)CCSCC1)C2)OCc1ccccc1	ZINC000852211178	FE	On-Demand	Anodyne	SLC12A5	68	37
COc1cc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)sn1	ZINC000852211183	FF	On-Demand	Anodyne	NAAA	50	36
COc1cc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)sn1	ZINC000852211183	FF	On-Demand	Anodyne	SLC12A5	51	34
COc1cc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)sn1	ZINC000852211184	FF	On-Demand	Anodyne	NAAA	50	36
COc1cc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)sn1	ZINC000852211184	FF	On-Demand	Anodyne	SLC12A5	51	34
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211198	EE	On-Demand	Anodyne	CTSB	23	41
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211198	EE	On-Demand	Anodyne	CTSK	26	41
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211198	EE	On-Demand	Anodyne	CAPN2	43	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211198	EE	On-Demand	Anodyne	NAAA	43	40
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211198	EE	On-Demand	Anodyne	SLC12A5	50	32
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211198	EE	On-Demand	Anodyne	Q9NAW4_PLAFA	35	40
O=C(N[C@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211199	EE	On-Demand	Anodyne	CTSB	23	41
O=C(N[C@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211199	EE	On-Demand	Anodyne	CTSK	26	41
O=C(N[C@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211199	EE	On-Demand	Anodyne	CAPN2	43	33
O=C(N[C@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211199	EE	On-Demand	Anodyne	NAAA	43	40
O=C(N[C@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211199	EE	On-Demand	Anodyne	SLC12A5	50	32
O=C(N[C@H]1[C@H]2C[C@H]1N(CCOC(F)F)C2)OCc1ccccc1	ZINC000852211199	EE	On-Demand	Anodyne	Q9NAW4_PLAFA	35	40
CCNS(=O)(=O)c1ccc(CNC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852211250	GD	On-Demand	Anodyne	NAMPT	27	41
O=S(=O)(NCc1ccccc1)N1CCN(CCOC(F)F)CC1	ZINC000852211253	EC	On-Demand	Anodyne	SLC6A4	23	49
O=S(=O)(NCc1ccccc1)N1CCN(CCOC(F)F)CC1	ZINC000852211253	EC	On-Demand	Anodyne	SLC6A3	61	49
O=S(=O)(NCc1ccccc1)N1CCN(CCOC(F)F)CC1	ZINC000852211253	EC	On-Demand	Anodyne	SIGMAR1	20	45
CNS(=O)(=O)c1ccc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852211276	GF	On-Demand	Anodyne	CCR1	71	53
CNS(=O)(=O)c1ccc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1	ZINC000852211277	GF	On-Demand	Anodyne	CCR1	71	53
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852211282	GG	On-Demand	Anodyne	CCR1	66	36
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852211283	GG	On-Demand	Anodyne	CCR1	66	36
CCOP(=O)(OCC)[C@H](O)CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852211284	GG	On-Demand	Anodyne	CCR1	66	36
CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852211285	GG	On-Demand	Anodyne	CCR1	66	36
COC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1	ZINC000852211313	FG	On-Demand	Mild	UL54	32	47
COC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)c1cccc(C#N)c1	ZINC000852211315	FG	On-Demand	Mild	UL54	32	47
O=C1CC[C@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)O1	ZINC000852211316	EF	On-Demand	Anodyne	ADRA1D	22	54
O=C1CC[C@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)O1	ZINC000852211316	EF	On-Demand	Anodyne	ADRA1A	15	54
O=C1CC[C@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)O1	ZINC000852211316	EF	On-Demand	Anodyne	ADRA1B	19	54
O=C1CC[C@@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)O1	ZINC000852211317	EF	On-Demand	Anodyne	ADRA1D	22	54
O=C1CC[C@@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)O1	ZINC000852211317	EF	On-Demand	Anodyne	ADRA1A	15	54
O=C1CC[C@@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)O1	ZINC000852211317	EF	On-Demand	Anodyne	ADRA1B	19	54
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211388	ED	On-Demand	Anodyne	CTSK	24	44
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211388	ED	On-Demand	Anodyne	CTSL	31	44
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211388	ED	On-Demand	Anodyne	CAPN2	48	32
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211388	ED	On-Demand	Anodyne	NAAA	56	37
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211388	ED	On-Demand	Anodyne	SLC12A5	65	35
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211389	ED	On-Demand	Anodyne	CTSK	24	44
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211389	ED	On-Demand	Anodyne	CTSL	31	44
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211389	ED	On-Demand	Anodyne	CAPN2	48	32
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211389	ED	On-Demand	Anodyne	NAAA	56	37
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211389	ED	On-Demand	Anodyne	SLC12A5	65	35
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211390	ED	On-Demand	Anodyne	CTSK	24	44
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211390	ED	On-Demand	Anodyne	CTSL	31	44
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211390	ED	On-Demand	Anodyne	CAPN2	48	32
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211390	ED	On-Demand	Anodyne	NAAA	56	37
CCN1CC[C@H](N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211390	ED	On-Demand	Anodyne	SLC12A5	65	35
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211391	ED	On-Demand	Anodyne	CTSK	24	44
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211391	ED	On-Demand	Anodyne	CTSL	31	44
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211391	ED	On-Demand	Anodyne	CAPN2	48	32
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211391	ED	On-Demand	Anodyne	NAAA	56	37
CCN1CC[C@@H](N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1=O	ZINC000852211391	ED	On-Demand	Anodyne	SLC12A5	65	35
CCOP(=O)(OCC)[C@H](O)CN1CCCC[C@H]1Cc1ccc(OC)cc1	ZINC000852211435	GH	On-Demand	Anodyne	SLC18A2	24	48
CCOP(=O)(OCC)[C@H](O)CN1CCCC[C@H]1Cc1ccc(OC)cc1	ZINC000852211435	GH	On-Demand	Anodyne	ADAM9	40	35
CCOP(=O)(OCC)[C@@H](O)CN1CCCC[C@@H]1Cc1ccc(OC)cc1	ZINC000852211436	GH	On-Demand	Anodyne	SLC18A2	24	48
CCOP(=O)(OCC)[C@@H](O)CN1CCCC[C@@H]1Cc1ccc(OC)cc1	ZINC000852211436	GH	On-Demand	Anodyne	ADAM9	40	35
CCOP(=O)(OCC)[C@H](O)CN1CCCC[C@@H]1Cc1ccc(OC)cc1	ZINC000852211437	GH	On-Demand	Anodyne	SLC18A2	24	48
CCOP(=O)(OCC)[C@H](O)CN1CCCC[C@@H]1Cc1ccc(OC)cc1	ZINC000852211437	GH	On-Demand	Anodyne	ADAM9	40	35
CCOP(=O)(OCC)[C@@H](O)CN1CCCC[C@H]1Cc1ccc(OC)cc1	ZINC000852211438	GH	On-Demand	Anodyne	SLC18A2	24	48
CCOP(=O)(OCC)[C@@H](O)CN1CCCC[C@H]1Cc1ccc(OC)cc1	ZINC000852211438	GH	On-Demand	Anodyne	ADAM9	40	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC(F)(F)C3)C2)cc1	ZINC000852211446	EF	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC(F)(F)C3)C2)cc1	ZINC000852211446	EF	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC(F)(F)C3)C2)cc1	ZINC000852211448	EF	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC(F)(F)C3)C2)cc1	ZINC000852211448	EF	On-Demand	Clean	MTNR1B	16	46
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	CTRA_BOVIN	40	30
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	KLK3	40	30
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	CTSB	44	39
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	CAPNS1	52	33
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	CAPN1	60	36
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	CAPN2	108	38
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	NPR	54	32
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	NAAA	42	39
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211451	FH	On-Demand	Anodyne	SLC12A5	56	32
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	CTRA_BOVIN	40	30
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	KLK3	40	30
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	CTSB	44	39
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	CAPNS1	52	33
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	CAPN1	60	36
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	CAPN2	108	38
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	NPR	54	32
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	NAAA	42	39
CC[C@@H](CC(F)F)CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211452	FH	On-Demand	Anodyne	SLC12A5	56	32
O=C(NCc1ncccn1)N[C@@H](CCCCc1ccccc1)c1ccccc1	ZINC000852211465	FI	On-Demand	Anodyne	FAAH	49	38
O=C(NCc1ncccn1)N[C@@H](CCCCc1ccccc1)c1ccccc1	ZINC000852211465	FI	On-Demand	Anodyne	CES1	57	35
O=C(NCc1ncccn1)N[C@H](CCCCc1ccccc1)c1ccccc1	ZINC000852211466	FI	On-Demand	Anodyne	FAAH	49	38
O=C(NCc1ncccn1)N[C@H](CCCCc1ccccc1)c1ccccc1	ZINC000852211466	FI	On-Demand	Anodyne	CES1	57	35
O[C@@H]1CCC[C@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852211469	DG	On-Demand	Anodyne	CCR1	60	38
O[C@@H]1CCC[C@@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852211471	DG	On-Demand	Anodyne	CCR1	60	38
O[C@@H]1CCC[C@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852211473	DG	On-Demand	Anodyne	CCR1	60	38
O[C@@H]1CCC[C@@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1	ZINC000852211475	DG	On-Demand	Anodyne	CCR1	60	38
O=C1C[C@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)CN1	ZINC000852211493	DD	On-Demand	Anodyne	CCR1	51	38
O=C1C[C@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CN1	ZINC000852211495	DD	On-Demand	Anodyne	CCR1	51	38
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	ACE	17	41
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	CTRA_BOVIN	47	31
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	CTSB	26	43
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	CTSK	27	43
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	CTSS	15	41
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	CAPN2	59	34
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	NAAA	41	39
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	SLC12A5	66	36
CO[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211499	EF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	42
O=C1C[C@@H](CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)CN1	ZINC000852211500	DD	On-Demand	Anodyne	CCR1	51	38
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	ACE	17	41
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	CTRA_BOVIN	47	31
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	CTSB	26	43
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	CTSK	27	43
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	CTSS	15	41
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	CAPN2	59	34
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	NAAA	41	39
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	SLC12A5	66	36
CO[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)C1CCC1	ZINC000852211501	EF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	42
O=C1C[C@@H](CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CN1	ZINC000852211502	DD	On-Demand	Anodyne	CCR1	51	38
O[C@@]1(c2ccc(Cl)cc2)CCCN(Cc2cccc(F)n2)C1	ZINC000852211524	DG	On-Demand	Anodyne	CCR1	47	38
O[C@]1(c2ccc(Cl)cc2)CCCN(Cc2cccc(F)n2)C1	ZINC000852211526	DG	On-Demand	Anodyne	CCR1	47	38
C#CCOCCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000852211552	CE	On-Demand	Mild	CCR1	55	40
C#CCOCCN1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000852211554	CE	On-Demand	Mild	CCR1	55	40
Cc1nc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)co1	ZINC000852211597	EE	On-Demand	Anodyne	NAAA	48	37
Cc1nc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)co1	ZINC000852211597	EE	On-Demand	Anodyne	SLC12A5	50	32
Cc1nc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)co1	ZINC000852211598	EE	On-Demand	Anodyne	NAAA	48	37
Cc1nc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)co1	ZINC000852211598	EE	On-Demand	Anodyne	SLC12A5	50	32
Nc1cccc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1	ZINC000852211606	DG	On-Demand	Anodyne	DRD4	16	46
Nc1cccc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1	ZINC000852211606	DG	On-Demand	Anodyne	CCR1	51	38
Nc1cccc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1	ZINC000852211608	DG	On-Demand	Anodyne	DRD4	16	46
Nc1cccc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1	ZINC000852211608	DG	On-Demand	Anodyne	CCR1	51	38
Fc1cccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)n1	ZINC000852211611	EF	On-Demand	Anodyne	DRD4	28	41
Fc1cccc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)n1	ZINC000852211613	EF	On-Demand	Anodyne	DRD4	28	41
Fc1cccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)n1	ZINC000852211615	EF	On-Demand	Anodyne	DRD4	28	41
Fc1cccc(CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)n1	ZINC000852211617	EF	On-Demand	Anodyne	DRD4	28	41
Cc1nc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)co1	ZINC000852211621	DG	On-Demand	Anodyne	CCR1	63	39
Cc1nc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)co1	ZINC000852211624	DG	On-Demand	Anodyne	CCR1	63	39
COC(=O)c1ccc2nc(CN3CCC[C@@](O)(c4ccc(Cl)cc4)C3)[nH]c2c1	ZINC000852211645	GG	On-Demand	Anodyne	DRD4	20	41
COC(=O)c1ccc2nc(CN3CCC[C@@](O)(c4ccc(Cl)cc4)C3)[nH]c2c1	ZINC000852211645	GG	On-Demand	Anodyne	CCR1	41	36
COC(=O)c1ccc2nc(CN3CCC[C@](O)(c4ccc(Cl)cc4)C3)[nH]c2c1	ZINC000852211646	GG	On-Demand	Anodyne	DRD4	20	41
COC(=O)c1ccc2nc(CN3CCC[C@](O)(c4ccc(Cl)cc4)C3)[nH]c2c1	ZINC000852211646	GG	On-Demand	Anodyne	CCR1	41	36
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	ACE	28	44
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	CTSB	25	47
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	CTSK	28	47
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	CTSL	37	41
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	PREP	25	40
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	CAPNS1	46	30
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	CAPN2	57	34
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	TGM2	26	41
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	F13A1	25	41
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	NAAA	68	39
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	SLC12A5	59	35
O=C(N[C@@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211658	DD	On-Demand	Anodyne	Q9NAW4_PLAFA	37	42
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	ACE	28	44
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	CTSB	25	47
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	CTSK	28	47
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	CTSL	37	41
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	PREP	25	40
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	CAPNS1	46	30
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	CAPN2	57	34
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	TGM2	26	41
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	F13A1	25	41
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	NAAA	68	39
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	SLC12A5	59	35
O=C(N[C@H]1[C@H]2C[C@H]1N([C@@H]1CCC[C@H]1O)C2)OCc1ccccc1	ZINC000852211659	DD	On-Demand	Anodyne	Q9NAW4_PLAFA	37	42
CCOc1ccc(C=NOCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	ZINC000852211680	JG	On-Demand	Mild	TRY2_BOVIN	55	38
CCOc1ccc(C=NOCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	ZINC000852211680	JG	On-Demand	Mild	F13A1	42	40
FC(F)OCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211710	EE	On-Demand	Anodyne	DRD4	30	41
FC(F)OCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211710	EE	On-Demand	Anodyne	SIGMAR1	42	38
FC(F)OCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211711	EE	On-Demand	Anodyne	DRD4	30	41
FC(F)OCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211711	EE	On-Demand	Anodyne	SIGMAR1	42	38
FC(F)OCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211712	EE	On-Demand	Anodyne	DRD4	30	41
FC(F)OCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211712	EE	On-Demand	Anodyne	SIGMAR1	42	38
FC(F)OCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211713	EE	On-Demand	Anodyne	DRD4	30	41
FC(F)OCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211713	EE	On-Demand	Anodyne	SIGMAR1	42	38
FC(F)(Br)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211725	GF	On-Demand	Anodyne	DRD4	33	43
FC(F)(Br)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211725	GF	On-Demand	Anodyne	SIGMAR1	52	39
FC(F)(Br)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211725	GF	On-Demand	Anodyne	SLC18A3	23	40
FC(F)(Br)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211726	GF	On-Demand	Anodyne	DRD4	33	43
FC(F)(Br)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211726	GF	On-Demand	Anodyne	SIGMAR1	52	39
FC(F)(Br)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211726	GF	On-Demand	Anodyne	SLC18A3	23	40
FC(F)(Br)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211727	GF	On-Demand	Anodyne	DRD4	33	43
FC(F)(Br)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211727	GF	On-Demand	Anodyne	SIGMAR1	52	39
FC(F)(Br)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21	ZINC000852211727	GF	On-Demand	Anodyne	SLC18A3	23	40
FC(F)(Br)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211728	GF	On-Demand	Anodyne	DRD4	33	43
FC(F)(Br)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211728	GF	On-Demand	Anodyne	SIGMAR1	52	39
FC(F)(Br)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21	ZINC000852211728	GF	On-Demand	Anodyne	SLC18A3	23	40
C#CCOCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211745	DD	On-Demand	Mild	CTSK	18	42
C#CCOCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211745	DD	On-Demand	Mild	CTSL	26	42
C#CCOCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1	ZINC000852211745	DD	On-Demand	Mild	NAAA	51	36
C#CCOCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211746	DD	On-Demand	Mild	CTSK	18	42
C#CCOCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211746	DD	On-Demand	Mild	CTSL	26	42
C#CCOCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1	ZINC000852211746	DD	On-Demand	Mild	NAAA	51	36
CN(Cc1cn(C)cn1)C[C@H](O)c1cccc(C#N)c1	ZINC000852211757	CD	On-Demand	Mild	UL54	17	43
CN(Cc1cn(C)cn1)C[C@@H](O)c1cccc(C#N)c1	ZINC000852211758	CD	On-Demand	Mild	UL54	17	43
NC(=O)[C@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211765	GE	On-Demand	Anodyne	HTR1A	23	47
NC(=O)[C@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211765	GE	On-Demand	Anodyne	DRD2	25	43
NC(=O)[C@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211765	GE	On-Demand	Anodyne	DRD4	31	42
NC(=O)[C@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211765	GE	On-Demand	Anodyne	ADRA1D	19	47
NC(=O)[C@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211765	GE	On-Demand	Anodyne	ADRA1B	17	47
NC(=O)[C@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211765	GE	On-Demand	Anodyne	DRD3	29	43
NC(=O)[C@@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211766	GE	On-Demand	Anodyne	HTR1A	23	47
NC(=O)[C@@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211766	GE	On-Demand	Anodyne	DRD2	25	43
NC(=O)[C@@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211766	GE	On-Demand	Anodyne	DRD4	31	42
NC(=O)[C@@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211766	GE	On-Demand	Anodyne	ADRA1D	19	47
NC(=O)[C@@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211766	GE	On-Demand	Anodyne	ADRA1B	17	47
NC(=O)[C@@](O)(CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1	ZINC000852211766	GE	On-Demand	Anodyne	DRD3	29	43
O[C@@]1(c2ccc(Cl)cc2)CCCN(CCn2cnc(Br)n2)C1	ZINC000852211767	GF	On-Demand	Anodyne	CCR1	46	37
O[C@]1(c2ccc(Cl)cc2)CCCN(CCn2cnc(Br)n2)C1	ZINC000852211768	GF	On-Demand	Anodyne	CCR1	46	37
COC[C@@H](CN1CCC[C@@](O)(c2ccc(Cl)cc2)C1)OC	ZINC000852211775	DE	On-Demand	Anodyne	CCR1	53	37
COC[C@@H](CN1CCC[C@](O)(c2ccc(Cl)cc2)C1)OC	ZINC000852211777	DE	On-Demand	Anodyne	CCR1	53	37
CCNS(=O)(=O)c1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852211797	EC	On-Demand	Anodyne	CA2	19	41
CCNS(=O)(=O)c1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852211797	EC	On-Demand	Anodyne	CA1	19	41
CCNS(=O)(=O)c1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852211797	EC	On-Demand	Anodyne	NAMPT	116	46
O[C@@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211845	FG	On-Demand	Anodyne	HTR1A	22	43
O[C@@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211845	FG	On-Demand	Anodyne	DRD2	23	42
O[C@@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211845	FG	On-Demand	Anodyne	DRD4	44	42
O[C@@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211845	FG	On-Demand	Anodyne	ADRA1D	17	44
O[C@@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211845	FG	On-Demand	Anodyne	HTR2A	15	40
O[C@@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211845	FG	On-Demand	Anodyne	ADRA1B	15	44
O[C@@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211845	FG	On-Demand	Anodyne	DRD3	25	40
O[C@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211846	FG	On-Demand	Anodyne	HTR1A	22	43
O[C@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211846	FG	On-Demand	Anodyne	DRD2	23	42
O[C@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211846	FG	On-Demand	Anodyne	DRD4	44	42
O[C@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211846	FG	On-Demand	Anodyne	ADRA1D	17	44
O[C@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211846	FG	On-Demand	Anodyne	HTR2A	15	40
O[C@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211846	FG	On-Demand	Anodyne	ADRA1B	15	44
O[C@H](CN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1	ZINC000852211846	FG	On-Demand	Anodyne	DRD3	25	40
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	KLK3	49	32
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	CTSB	28	40
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	CYSP_TRYCR	42	34
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	CTSK	30	40
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	CAPNS1	46	31
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	CAPN1	40	35
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	CAPN2	64	34
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	NAAA	47	36
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	SLC12A5	63	35
COC[C@@H](CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211852	ED	On-Demand	Anodyne	Q9NAW4_PLAFA	36	41
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	KLK3	49	32
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	CTSB	28	40
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	CYSP_TRYCR	42	34
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	CTSK	30	40
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	CAPNS1	46	31
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	CAPN1	40	35
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	CAPN2	64	34
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	NAAA	47	36
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	SLC12A5	63	35
COC[C@@H](CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)OC	ZINC000852211854	ED	On-Demand	Anodyne	Q9NAW4_PLAFA	36	41
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C(C)C)cs3)C2)cc1	ZINC000852211875	FG	On-Demand	Clean	NPBWR1	46	34
O=C1C[C@@H](CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)CN1	ZINC000852211928	ED	On-Demand	Anodyne	NAAA	45	40
O=C1C[C@H](CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)CN1	ZINC000852211929	ED	On-Demand	Anodyne	NAAA	45	40
O=C1C[C@@H](CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)CN1	ZINC000852211930	ED	On-Demand	Anodyne	NAAA	45	40
O=C1C[C@H](CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)CN1	ZINC000852211931	ED	On-Demand	Anodyne	NAAA	45	40
Cn1cnc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1	ZINC000852211973	DF	On-Demand	Anodyne	CCR1	63	38
Cn1cnc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1	ZINC000852211974	DF	On-Demand	Anodyne	CCR1	63	38
CNS(=O)(=O)c1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1	ZINC000852211975	FD	On-Demand	Mild	UL54	20	43
CNS(=O)(=O)c1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)cc1	ZINC000852211976	FD	On-Demand	Mild	UL54	20	43
O[C@@]1(c2ccc(Cl)cc2)CCCN(CCc2cnn[nH]2)C1	ZINC000852211988	DD	On-Demand	Anodyne	CCR1	40	38
O[C@]1(c2ccc(Cl)cc2)CCCN(CCc2cnn[nH]2)C1	ZINC000852211989	DD	On-Demand	Anodyne	CCR1	40	38
COc1cc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)on1	ZINC000852212082	EE	On-Demand	Anodyne	NAAA	46	36
COc1cc(CN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)on1	ZINC000852212082	EE	On-Demand	Anodyne	SLC12A5	41	33
COc1cc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)on1	ZINC000852212083	EE	On-Demand	Anodyne	NAAA	46	36
COc1cc(CN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)on1	ZINC000852212083	EE	On-Demand	Anodyne	SLC12A5	41	33
NC(=O)[C@](O)(CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21)c1ccccc1	ZINC000852212131	GD	On-Demand	Anodyne	CHRM2	18	42
NC(=O)[C@](O)(CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21)c1ccccc1	ZINC000852212131	GD	On-Demand	Anodyne	CHRM3	26	42
NC(=O)[C@](O)(CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21)c1ccccc1	ZINC000852212131	GD	On-Demand	Anodyne	CYP2J2	47	34
NC(=O)[C@](O)(CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21)c1ccccc1	ZINC000852212132	GD	On-Demand	Anodyne	CHRM2	18	42
NC(=O)[C@](O)(CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21)c1ccccc1	ZINC000852212132	GD	On-Demand	Anodyne	CHRM3	26	42
NC(=O)[C@](O)(CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21)c1ccccc1	ZINC000852212132	GD	On-Demand	Anodyne	CYP2J2	47	34
NC(=O)[C@](O)(CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21)c1ccccc1	ZINC000852212133	GD	On-Demand	Anodyne	CHRM2	18	42
NC(=O)[C@](O)(CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21)c1ccccc1	ZINC000852212133	GD	On-Demand	Anodyne	CHRM3	26	42
NC(=O)[C@](O)(CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21)c1ccccc1	ZINC000852212133	GD	On-Demand	Anodyne	CYP2J2	47	34
NC(=O)[C@](O)(CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21)c1ccccc1	ZINC000852212134	GD	On-Demand	Anodyne	CHRM2	18	42
NC(=O)[C@](O)(CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21)c1ccccc1	ZINC000852212134	GD	On-Demand	Anodyne	CHRM3	26	42
NC(=O)[C@](O)(CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21)c1ccccc1	ZINC000852212134	GD	On-Demand	Anodyne	CYP2J2	47	34
O=C(N[C@@H]1[C@H]2C[C@H]1N(C[C@]1(O)CCCOC1)C2)OCc1ccccc1	ZINC000852212139	ED	On-Demand	Anodyne	SLC12A5	64	37
O=C(N[C@@H]1[C@H]2C[C@H]1N(C[C@@]1(O)CCCOC1)C2)OCc1ccccc1	ZINC000852212140	ED	On-Demand	Anodyne	SLC12A5	64	37
O=C(N[C@H]1[C@H]2C[C@H]1N(C[C@]1(O)CCCOC1)C2)OCc1ccccc1	ZINC000852212141	ED	On-Demand	Anodyne	SLC12A5	64	37
O=C(N[C@H]1[C@H]2C[C@H]1N(C[C@@]1(O)CCCOC1)C2)OCc1ccccc1	ZINC000852212142	ED	On-Demand	Anodyne	SLC12A5	64	37
NC(=O)[C@](O)(CN1CCC(Cn2cnnc2)CC1)c1ccccc1	ZINC000852212149	EC	On-Demand	Anodyne	CYP2J2	49	34
NC(=O)[C@@](O)(CN1CCC(Cn2cnnc2)CC1)c1ccccc1	ZINC000852212150	EC	On-Demand	Anodyne	CYP2J2	49	34
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212186	FG	On-Demand	Mild	CTSK	25	46
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212186	FG	On-Demand	Mild	CTSL	31	46
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212186	FG	On-Demand	Mild	NAAA	44	38
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212186	FG	On-Demand	Mild	SLC12A5	43	42
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212186	FG	On-Demand	Mild	Q9NAW4_PLAFA	35	40
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212187	FG	On-Demand	Mild	CTSK	25	46
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212187	FG	On-Demand	Mild	CTSL	31	46
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212187	FG	On-Demand	Mild	NAAA	44	38
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212187	FG	On-Demand	Mild	SLC12A5	43	42
N#Cc1ccc(CCN2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1	ZINC000852212187	FG	On-Demand	Mild	Q9NAW4_PLAFA	35	40
CNS(=O)(=O)c1ccc(CN(C)CCN(C)c2ccc(OC)cc2)cc1	ZINC000852212207	GE	On-Demand	Clean	BMP1	55	38
CNS(=O)(=O)c1ccc(CN(C)CCN(C)c2ccc(OC)cc2)cc1	ZINC000852212207	GE	On-Demand	Clean	MMP13	40	38
CNS(=O)(=O)c1ccc(CN(C)CCN(C)c2ccc(OC)cc2)cc1	ZINC000852212207	GE	On-Demand	Clean	MMP3	34	42
CC(C)(C)OC(=O)CN(CC1CC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852212259	ED	On-Demand	Anodyne	AMY2	59	34
CC(C)(C)OC(=O)CN(CC1CC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852212260	ED	On-Demand	Anodyne	AMY2	59	34
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212273	GD	On-Demand	Anodyne	CTSB	15	41
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212273	GD	On-Demand	Anodyne	CTSK	18	41
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212273	GD	On-Demand	Anodyne	CTSL	26	41
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212273	GD	On-Demand	Anodyne	NAAA	43	40
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212273	GD	On-Demand	Anodyne	SLC12A5	51	33
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212273	GD	On-Demand	Anodyne	Q9NAW4_PLAFA	34	40
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212274	GD	On-Demand	Anodyne	CTSB	15	41
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212274	GD	On-Demand	Anodyne	CTSK	18	41
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212274	GD	On-Demand	Anodyne	CTSL	26	41
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212274	GD	On-Demand	Anodyne	NAAA	43	40
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212274	GD	On-Demand	Anodyne	SLC12A5	51	33
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212274	GD	On-Demand	Anodyne	Q9NAW4_PLAFA	34	40
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212275	GD	On-Demand	Anodyne	CTSB	15	41
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212275	GD	On-Demand	Anodyne	CTSK	18	41
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212275	GD	On-Demand	Anodyne	CTSL	26	41
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212275	GD	On-Demand	Anodyne	NAAA	43	40
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212275	GD	On-Demand	Anodyne	SLC12A5	51	33
NC(=O)[C@@](O)(CN1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212275	GD	On-Demand	Anodyne	Q9NAW4_PLAFA	34	40
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212276	GD	On-Demand	Anodyne	CTSB	15	41
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212276	GD	On-Demand	Anodyne	CTSK	18	41
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212276	GD	On-Demand	Anodyne	CTSL	26	41
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212276	GD	On-Demand	Anodyne	NAAA	43	40
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212276	GD	On-Demand	Anodyne	SLC12A5	51	33
NC(=O)[C@](O)(CN1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1)c1ccccc1	ZINC000852212276	GD	On-Demand	Anodyne	Q9NAW4_PLAFA	34	40
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212284	DF	On-Demand	Anodyne	CTSB	19	43
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212284	DF	On-Demand	Anodyne	CTSK	22	43
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212284	DF	On-Demand	Anodyne	CTSL	31	43
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212284	DF	On-Demand	Anodyne	NAAA	48	42
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212284	DF	On-Demand	Anodyne	SLC12A5	61	34
O=C(N[C@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212284	DF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	40
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212285	DF	On-Demand	Anodyne	CTSB	19	43
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212285	DF	On-Demand	Anodyne	CTSK	22	43
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212285	DF	On-Demand	Anodyne	CTSL	31	43
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212285	DF	On-Demand	Anodyne	NAAA	48	42
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212285	DF	On-Demand	Anodyne	SLC12A5	61	34
O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1CC=CC1)C2)OCc1ccccc1	ZINC000852212285	DF	On-Demand	Anodyne	Q9NAW4_PLAFA	34	40
O=C1C[C@H](CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)CN1	ZINC000852212295	ED	On-Demand	Anodyne	SIGMAR1	32	42
O=C1C[C@H](CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)CN1	ZINC000852212296	ED	On-Demand	Anodyne	SIGMAR1	32	42
O=C1C[C@H](CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)CN1	ZINC000852212297	ED	On-Demand	Anodyne	SIGMAR1	32	42
O=C1C[C@H](CN2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)CN1	ZINC000852212298	ED	On-Demand	Anodyne	SIGMAR1	32	42
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO[C@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212304	FE	On-Demand	Anodyne	CTRA_BOVIN	51	33
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO[C@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212304	FE	On-Demand	Anodyne	CTSG	41	33
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO[C@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212304	FE	On-Demand	Anodyne	CELA2A	41	33
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO[C@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212304	FE	On-Demand	Anodyne	SLC12A5	57	33
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO[C@@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212305	FE	On-Demand	Anodyne	CTRA_BOVIN	51	33
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO[C@@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212305	FE	On-Demand	Anodyne	CTSG	41	33
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO[C@@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212305	FE	On-Demand	Anodyne	CELA2A	41	33
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO[C@@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212305	FE	On-Demand	Anodyne	SLC12A5	57	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO[C@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212306	FE	On-Demand	Anodyne	CTRA_BOVIN	51	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO[C@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212306	FE	On-Demand	Anodyne	CTSG	41	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO[C@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212306	FE	On-Demand	Anodyne	CELA2A	41	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO[C@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212306	FE	On-Demand	Anodyne	SLC12A5	57	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO[C@@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212307	FE	On-Demand	Anodyne	CTRA_BOVIN	51	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO[C@@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212307	FE	On-Demand	Anodyne	CTSG	41	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO[C@@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212307	FE	On-Demand	Anodyne	CELA2A	41	33
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO[C@@H]1CC1(F)F)C2)OCc1ccccc1	ZINC000852212307	FE	On-Demand	Anodyne	SLC12A5	57	33
CCOc1ccc(C=NOCCOc2ccccc2)cc1	ZINC000852212316	CH	On-Demand	Mild	FAAH	20	43
O=C(N[C@H]1[C@H]2C[C@H]1N(Cc1cc(C3CC3)no1)C2)OCc1ccccc1	ZINC000852212324	FG	On-Demand	Anodyne	NAAA	48	40
O=C(N[C@@H]1[C@H]2C[C@H]1N(Cc1cc(C3CC3)no1)C2)OCc1ccccc1	ZINC000852212325	FG	On-Demand	Anodyne	NAAA	48	40
CC(C)(C)OC(=O)C1(NC[C@@](O)(C(N)=O)c2ccccc2)CCCCCC1	ZINC000852212351	GE	On-Demand	Anodyne	AMY2	54	31
CC(C)(C)OC(=O)C1(NC[C@](O)(C(N)=O)c2ccccc2)CCCCCC1	ZINC000852212352	GE	On-Demand	Anodyne	AMY2	54	31
CCOc1ccc(C=NOCCOc2ccc(F)cc2)cc1	ZINC000852212355	DH	On-Demand	Mild	FAAH	18	48
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1	ZINC000852212364	GI	On-Demand	Mild	FAAH	21	42
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1	ZINC000852212365	GI	On-Demand	Mild	FAAH	21	42
CC(C)(C)OC(=O)NCCC1CCN(CC(F)(F)Br)CC1	ZINC000852212377	FH	On-Demand	Anodyne	CACNA1I	59	37
CC(C)(C)OC(=O)NCCC1CCN(CC(F)(F)Br)CC1	ZINC000852212377	FH	On-Demand	Anodyne	SIRT3	26	44
CC(C)(C)OC(=O)NCCC1CCN(CC(F)(F)Br)CC1	ZINC000852212377	FH	On-Demand	Anodyne	SIRT2	26	44
CC(C)(C)OC(=O)NCCC1CCN(CC(F)(F)Br)CC1	ZINC000852212377	FH	On-Demand	Anodyne	SIRT1	25	44
CC(C)(C)OC(=O)NCCC1CCN(CCc2cnn[nH]2)CC1	ZINC000852212378	DD	On-Demand	Anodyne	CACNA1I	45	36
CC(C)(C)OC(=O)NCCC1CCN(CCc2cnn[nH]2)CC1	ZINC000852212378	DD	On-Demand	Anodyne	SIRT3	25	42
CC(C)(C)OC(=O)NCCC1CCN(CCc2cnn[nH]2)CC1	ZINC000852212378	DD	On-Demand	Anodyne	SIRT2	25	42
CC(C)(C)OC(=O)NCCC1CCN(CCc2cnn[nH]2)CC1	ZINC000852212378	DD	On-Demand	Anodyne	SIRT1	24	42
CCN1OC[C@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852212392	ED	On-Demand	Anodyne	SIRT3	18	41
CCN1OC[C@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852212392	ED	On-Demand	Anodyne	SIRT2	22	41
CCN1OC[C@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852212392	ED	On-Demand	Anodyne	SIRT1	20	41
CCN1OC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852212393	ED	On-Demand	Anodyne	SIRT3	18	41
CCN1OC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852212393	ED	On-Demand	Anodyne	SIRT2	22	41
CCN1OC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852212393	ED	On-Demand	Anodyne	SIRT1	20	41
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000852212496	FD	On-Demand	Anodyne	SLC6A4	23	46
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000852212496	FD	On-Demand	Anodyne	SLC6A3	40	53
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000852212496	FD	On-Demand	Anodyne	CHRM3	20	45
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000852212497	FD	On-Demand	Anodyne	SLC6A4	23	46
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000852212497	FD	On-Demand	Anodyne	SLC6A3	40	53
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000852212497	FD	On-Demand	Anodyne	CHRM3	20	45
FC1(F)C[C@]12CCCN(CCOCc1ccccc1)C2	ZINC000852212513	CG	On-Demand	Anodyne	LTA4H	18	43
FC1(F)C[C@]12CCCN(CCOCc1ccccc1)C2	ZINC000852212513	CG	On-Demand	Anodyne	SLC12A5	59	34
FC1(F)C[C@@]12CCCN(CCOCc1ccccc1)C2	ZINC000852212514	CG	On-Demand	Anodyne	LTA4H	18	43
FC1(F)C[C@@]12CCCN(CCOCc1ccccc1)C2	ZINC000852212514	CG	On-Demand	Anodyne	SLC12A5	59	34
O=C(NCC1SCCS1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852212528	FG	On-Demand	Anodyne	MME	51	38
O=C(NCC1SCCS1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852212528	FG	On-Demand	Anodyne	CTSF	41	34
O=C(NCC1SCCS1)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852212529	FG	On-Demand	Anodyne	MME	51	38
O=C(NCC1SCCS1)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852212529	FG	On-Demand	Anodyne	CTSF	41	34
COC(=O)[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1c1ccccc1	ZINC000852212546	DG	On-Demand	Anodyne	SLC6A4	41	46
COC(=O)[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1c1ccccc1	ZINC000852212546	DG	On-Demand	Anodyne	SLC6A3	67	53
O=C(NCc1ncccn1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852212548	DE	On-Demand	Anodyne	MME	51	39
O=C(NCc1ncccn1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852212548	DE	On-Demand	Anodyne	CTSF	40	35
O=C(NCc1ncccn1)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852212549	DE	On-Demand	Anodyne	MME	51	39
O=C(NCc1ncccn1)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852212549	DE	On-Demand	Anodyne	CTSF	40	35
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnon2)CC1	ZINC000852212570	DE	On-Demand	Anodyne	ACHE	19	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnon2)CC1	ZINC000852212570	DE	On-Demand	Anodyne	CACNA1I	47	33
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnon2)CC1	ZINC000852212570	DE	On-Demand	Anodyne	SIRT3	26	43
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnon2)CC1	ZINC000852212570	DE	On-Demand	Anodyne	SIRT2	26	43
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnon2)CC1	ZINC000852212570	DE	On-Demand	Anodyne	SIRT1	25	43
FC1(F)C[C@@]12CCCN(CCCC1CCC1)C2	ZINC000852212607	BH	On-Demand	Anodyne	EBP	23	57
FC1(F)C[C@]12CCCN(CCCC1CCC1)C2	ZINC000852212608	BH	On-Demand	Anodyne	EBP	23	57
C[C@@H]1CN(CCN2CCC(CCNC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1	ZINC000852212620	FF	On-Demand	Anodyne	CACNA1I	44	35
C[C@@H]1CN(CCN2CCC(CCNC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1	ZINC000852212620	FF	On-Demand	Anodyne	SIRT2	15	40
COCCN(CCF)C(=O)NCCc1ccc(-c2ccccc2)cc1	ZINC000852212683	EH	On-Demand	Anodyne	MME	35	40
COCCN(CCF)C(=O)NCCc1ccc(-c2ccccc2)cc1	ZINC000852212683	EH	On-Demand	Anodyne	CRTM	36	42
O=C(NCC[C@@H]1COc2ccccc2O1)NCc1ncccn1	ZINC000852212734	DD	On-Demand	Anodyne	ADRA2B	18	42
O=C(NCC[C@@H]1COc2ccccc2O1)NCc1ncccn1	ZINC000852212734	DD	On-Demand	Anodyne	ADRA2C	15	41
O=C(NCC[C@H]1COc2ccccc2O1)NCc1ncccn1	ZINC000852212735	DD	On-Demand	Anodyne	ADRA2B	18	42
O=C(NCC[C@H]1COc2ccccc2O1)NCc1ncccn1	ZINC000852212735	DD	On-Demand	Anodyne	ADRA2C	15	41
C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)C1CCOCC1	ZINC000852212760	FF	On-Demand	Mild	PGA5	41	31
C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)C1CCOCC1	ZINC000852212761	FF	On-Demand	Mild	PGA5	41	31
C#C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C1CCOCC1	ZINC000852212762	FF	On-Demand	Mild	PGA5	41	31
C#C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C1CCOCC1	ZINC000852212763	FF	On-Demand	Mild	PGA5	41	31
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212795	DE	On-Demand	Anodyne	SLC6A2	17	51
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212795	DE	On-Demand	Anodyne	SLC6A4	48	51
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212795	DE	On-Demand	Anodyne	SLC6A3	87	54
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212795	DE	On-Demand	Anodyne	GLRA1	44	34
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212796	DE	On-Demand	Anodyne	SLC6A2	17	51
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212796	DE	On-Demand	Anodyne	SLC6A4	48	51
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212796	DE	On-Demand	Anodyne	SLC6A3	87	54
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212796	DE	On-Demand	Anodyne	GLRA1	44	34
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212797	DE	On-Demand	Anodyne	SLC6A2	17	51
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212797	DE	On-Demand	Anodyne	SLC6A4	48	51
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212797	DE	On-Demand	Anodyne	SLC6A3	87	54
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212797	DE	On-Demand	Anodyne	GLRA1	44	34
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212798	DE	On-Demand	Anodyne	SLC6A2	17	51
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212798	DE	On-Demand	Anodyne	SLC6A4	48	51
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212798	DE	On-Demand	Anodyne	SLC6A3	87	54
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccccc1	ZINC000852212798	DE	On-Demand	Anodyne	GLRA1	44	34
C[C@H](CO)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212807	DC	On-Demand	Anodyne	CHRM3	47	39
C[C@H](CO)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212807	DC	On-Demand	Anodyne	AMY2	54	32
C[C@H](CO)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212807	DC	On-Demand	Anodyne	CYP2J2	53	38
C[C@H](CO)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212808	DC	On-Demand	Anodyne	CHRM3	47	39
C[C@H](CO)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212808	DC	On-Demand	Anodyne	AMY2	54	32
C[C@H](CO)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212808	DC	On-Demand	Anodyne	CYP2J2	53	38
C[C@@H](CO)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212809	DC	On-Demand	Anodyne	CHRM3	47	39
C[C@@H](CO)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212809	DC	On-Demand	Anodyne	AMY2	54	32
C[C@@H](CO)C1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212809	DC	On-Demand	Anodyne	CYP2J2	53	38
C[C@@H](CO)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212810	DC	On-Demand	Anodyne	CHRM3	47	39
C[C@@H](CO)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212810	DC	On-Demand	Anodyne	AMY2	54	32
C[C@@H](CO)C1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852212810	DC	On-Demand	Anodyne	CYP2J2	53	38
COC(=O)[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@H]1c1ccccc1	ZINC000852212835	DE	On-Demand	Anodyne	SLC6A3	24	46
COC(=O)[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@H]1c1ccccc1	ZINC000852212838	DE	On-Demand	Anodyne	SLC6A3	24	46
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@@H]1c1ccccc1	ZINC000852212840	DD	On-Demand	Anodyne	SLC6A4	36	49
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@@H]1c1ccccc1	ZINC000852212840	DD	On-Demand	Anodyne	SLC6A3	68	47
N#Cc1ccc(CCN2C[C@@H]3[C@H](C2)C3(F)F)cc1	ZINC000852212841	BE	On-Demand	Mild	KCNJ1	27	61
COC(=O)[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@H]1c1ccccc1	ZINC000852212844	EE	On-Demand	Anodyne	SLC6A4	18	45
COC(=O)[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@H]1c1ccccc1	ZINC000852212844	EE	On-Demand	Anodyne	SLC6A3	33	51
COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@H]1c1ccccc1	ZINC000852212845	EE	On-Demand	Anodyne	SLC6A4	18	45
COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@H]1c1ccccc1	ZINC000852212845	EE	On-Demand	Anodyne	SLC6A3	33	51
N#Cc1ccc(CCN2C[C@@H]3[C@@H](C2)C3(F)F)cc1	ZINC000852212848	BE	On-Demand	Mild	KCNJ1	27	61
N#Cc1ccc(CCN2C[C@H]3[C@H](C2)C3(F)F)cc1	ZINC000852212849	BE	On-Demand	Mild	KCNJ1	27	61
CCOP(=O)(OCC)[C@H](O)CN1C[C@H](c2ccccc2)[C@@H](C(=O)OC)C1	ZINC000852212870	GE	On-Demand	Anodyne	SLC6A4	18	41
CCOP(=O)(OCC)[C@H](O)CN1C[C@H](c2ccccc2)[C@@H](C(=O)OC)C1	ZINC000852212870	GE	On-Demand	Anodyne	ADAM9	63	36
CCOP(=O)(OCC)[C@@H](O)CN1C[C@H](c2ccccc2)[C@@H](C(=O)OC)C1	ZINC000852212871	GE	On-Demand	Anodyne	SLC6A4	18	41
CCOP(=O)(OCC)[C@@H](O)CN1C[C@H](c2ccccc2)[C@@H](C(=O)OC)C1	ZINC000852212871	GE	On-Demand	Anodyne	ADAM9	63	36
C[C@H](CCO)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852212908	CC	On-Demand	Anodyne	AMY2	54	33
C[C@H](CCO)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852212908	CC	On-Demand	Anodyne	AOX1	17	40
C[C@@H](CCO)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852212909	CC	On-Demand	Anodyne	AMY2	54	33
C[C@@H](CCO)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852212909	CC	On-Demand	Anodyne	AOX1	17	40
C[C@H](CCO)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852212910	CC	On-Demand	Anodyne	AMY2	54	33
C[C@H](CCO)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852212910	CC	On-Demand	Anodyne	AOX1	17	40
C[C@@H](CCO)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852212911	CC	On-Demand	Anodyne	AMY2	54	33
C[C@@H](CCO)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852212911	CC	On-Demand	Anodyne	AOX1	17	40
CC(C)(C)OC(=O)NCCC1CCN(CC2(O)CCSCC2)CC1	ZINC000852212924	FF	On-Demand	Anodyne	SIRT3	30	45
CC(C)(C)OC(=O)NCCC1CCN(CC2(O)CCSCC2)CC1	ZINC000852212924	FF	On-Demand	Anodyne	SIRT2	30	45
CC(C)(C)OC(=O)NCCC1CCN(CC2(O)CCSCC2)CC1	ZINC000852212924	FF	On-Demand	Anodyne	SIRT1	30	45
COC(=O)c1ccc(CNC(=O)NCc2c(C)cccc2C)c(F)c1	ZINC000852212963	EG	On-Demand	Anodyne	BDKRB1	29	45
CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852213063	FD	On-Demand	Anodyne	CHRM3	44	37
CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852213063	FD	On-Demand	Anodyne	AMY2	48	33
CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852213064	FD	On-Demand	Anodyne	CHRM3	44	37
CC(C)(C)OC(=O)C[C@@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852213064	FD	On-Demand	Anodyne	AMY2	48	33
CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852213065	FD	On-Demand	Anodyne	CHRM3	44	37
CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@](O)(C(N)=O)c1ccccc1	ZINC000852213065	FD	On-Demand	Anodyne	AMY2	48	33
CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852213066	FD	On-Demand	Anodyne	CHRM3	44	37
CC(C)(C)OC(=O)C[C@H]1CCCCN1C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852213066	FD	On-Demand	Anodyne	AMY2	48	33
COc1cccc(SCCN2CCC[C@@]3(C2)CC3(F)F)c1	ZINC000852213092	DH	On-Demand	Anodyne	EBP	40	44
COc1cccc(SCCN2CCC[C@]3(C2)CC3(F)F)c1	ZINC000852213093	DH	On-Demand	Anodyne	EBP	40	44
COC(=O)[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@H]1c1ccccc1	ZINC000852213141	EE	On-Demand	Anodyne	SLC6A4	22	42
COC(=O)[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@H]1c1ccccc1	ZINC000852213141	EE	On-Demand	Anodyne	SLC6A3	43	42
COC(=O)[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@H]1c1ccccc1	ZINC000852213142	EE	On-Demand	Anodyne	SLC6A4	22	42
COC(=O)[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@H]1c1ccccc1	ZINC000852213142	EE	On-Demand	Anodyne	SLC6A3	43	42
O=C(NCCC1SCCS1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852213150	FH	On-Demand	Anodyne	MME	47	36
O=C(NCCC1SCCS1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852213150	FH	On-Demand	Anodyne	CTSF	40	33
O=C(NCCC1SCCS1)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852213152	FH	On-Demand	Anodyne	MME	47	36
O=C(NCCC1SCCS1)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852213152	FH	On-Demand	Anodyne	CTSF	40	33
Cn1cnc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c1	ZINC000852213245	DF	On-Demand	Anodyne	ACHE	19	41
Cn1cnc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c1	ZINC000852213245	DF	On-Demand	Anodyne	CACNA1I	51	35
Cn1cnc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c1	ZINC000852213245	DF	On-Demand	Anodyne	SIRT3	53	47
Cn1cnc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c1	ZINC000852213245	DF	On-Demand	Anodyne	SIRT2	56	47
Cn1cnc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c1	ZINC000852213245	DF	On-Demand	Anodyne	SIRT1	54	47
CC(C)(C)OC(=O)NCCC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852213252	EH	On-Demand	Mild	ACHE	17	42
CC(C)(C)OC(=O)NCCC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852213252	EH	On-Demand	Mild	PTAFR	40	47
CC(C)(C)OC(=O)NCCC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852213252	EH	On-Demand	Mild	PAPA1_CARPA	38	40
CC(C)(C)OC(=O)NCCC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852213252	EH	On-Demand	Mild	CTSL	16	40
CC(C)(C)OC(=O)NCCC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852213252	EH	On-Demand	Mild	SIRT3	22	40
CC(C)(C)OC(=O)NCCC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852213252	EH	On-Demand	Mild	SIRT2	27	40
CC(C)(C)OC(=O)NCCC1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000852213252	EH	On-Demand	Mild	SIRT1	24	40
CC(C)(C)OC(=O)NCCC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852213253	EH	On-Demand	Mild	ACHE	17	42
CC(C)(C)OC(=O)NCCC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852213253	EH	On-Demand	Mild	PTAFR	40	47
CC(C)(C)OC(=O)NCCC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852213253	EH	On-Demand	Mild	PAPA1_CARPA	38	40
CC(C)(C)OC(=O)NCCC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852213253	EH	On-Demand	Mild	CTSL	16	40
CC(C)(C)OC(=O)NCCC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852213253	EH	On-Demand	Mild	SIRT3	22	40
CC(C)(C)OC(=O)NCCC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852213253	EH	On-Demand	Mild	SIRT2	27	40
CC(C)(C)OC(=O)NCCC1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000852213253	EH	On-Demand	Mild	SIRT1	24	40
CCOP(=O)(OCC)[C@H](O)CN1CCc2ccccc2[C@H](C)C1	ZINC000852213286	EG	On-Demand	Anodyne	ADAM9	50	33
CCOP(=O)(OCC)[C@@H](O)CN1CCc2ccccc2[C@H](C)C1	ZINC000852213287	EG	On-Demand	Anodyne	ADAM9	50	33
CCOP(=O)(OCC)[C@@H](O)CN1CCc2ccccc2[C@@H](C)C1	ZINC000852213288	EG	On-Demand	Anodyne	ADAM9	50	33
CCOP(=O)(OCC)[C@H](O)CN1CCc2ccccc2[C@@H](C)C1	ZINC000852213289	EG	On-Demand	Anodyne	ADAM9	50	33
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2cnccn2)CC1	ZINC000852213328	FE	On-Demand	Anodyne	CACNA1I	44	37
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2cnccn2)CC1	ZINC000852213328	FE	On-Demand	Anodyne	SIRT3	27	43
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2cnccn2)CC1	ZINC000852213328	FE	On-Demand	Anodyne	SIRT2	26	43
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2cnccn2)CC1	ZINC000852213328	FE	On-Demand	Anodyne	SIRT1	25	43
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2cnccn2)CC1	ZINC000852213328	FE	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	DRD2	27	44
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	DRD4	42	43
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	ACHE	64	52
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	HRH2	30	49
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	DRD3	18	44
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	HTR4	33	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	CHRM3	18	42
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	SIGMAR1	41	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	SSTR5	49	36
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	BCHE	16	47
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	CCR3	52	40
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	ACACB	15	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	CACNA1I	66	43
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	SIRT3	46	44
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	SIRT2	49	44
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(N)c2)CC1	ZINC000852213344	EG	On-Demand	Anodyne	SIRT1	49	44
CC(C)(C)OC(=O)NCCC1CCN(CC2CC=CC2)CC1	ZINC000852213356	DH	On-Demand	Anodyne	CACNA1I	55	36
CC(C)(C)OC(=O)NCCC1CCN(CC2CC=CC2)CC1	ZINC000852213356	DH	On-Demand	Anodyne	SIRT3	26	44
CC(C)(C)OC(=O)NCCC1CCN(CC2CC=CC2)CC1	ZINC000852213356	DH	On-Demand	Anodyne	SIRT2	25	44
CC(C)(C)OC(=O)NCCC1CCN(CC2CC=CC2)CC1	ZINC000852213356	DH	On-Demand	Anodyne	SIRT1	25	44
FC1(F)[C@@H]2CN(CC[C@@H]3CCc4ccccc43)C[C@@H]21	ZINC000852213402	CG	On-Demand	Anodyne	EBP	22	48
FC1(F)[C@@H]2CN(CC[C@H]3CCc4ccccc43)C[C@H]21	ZINC000852213407	CG	On-Demand	Anodyne	EBP	22	48
FC1(F)[C@@H]2CN(CC[C@@H]3CCc4ccccc43)C[C@H]21	ZINC000852213410	CG	On-Demand	Anodyne	EBP	22	48
FC1(F)[C@@H]2CN(CC[C@H]3CCc4ccccc43)C[C@@H]21	ZINC000852213412	CG	On-Demand	Anodyne	EBP	22	48
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852213430	FH	On-Demand	Anodyne	ACHE	39	48
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852213430	FH	On-Demand	Anodyne	SSTR5	44	33
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852213430	FH	On-Demand	Anodyne	ACACB	16	44
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852213430	FH	On-Demand	Anodyne	MCHR1	16	40
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852213430	FH	On-Demand	Anodyne	CACNA1I	52	34
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852213430	FH	On-Demand	Anodyne	SIRT3	49	44
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852213430	FH	On-Demand	Anodyne	SIRT2	50	44
CC(C)(C)OC(=O)NCCC1CCN(Cc2cnc3ccccc3n2)CC1	ZINC000852213430	FH	On-Demand	Anodyne	SIRT1	49	44
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)CC1	ZINC000852213461	DH	On-Demand	Anodyne	SIRT3	18	42
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)CC1	ZINC000852213461	DH	On-Demand	Anodyne	SIRT2	21	42
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)CC1	ZINC000852213461	DH	On-Demand	Anodyne	SIRT1	19	42
CC(C)(C)OC(=O)NCCC1CCN(CC2C[C@@H]3C[C@H]3C2)CC1	ZINC000852213462	DH	On-Demand	Anodyne	SIRT3	18	42
CC(C)(C)OC(=O)NCCC1CCN(CC2C[C@@H]3C[C@H]3C2)CC1	ZINC000852213462	DH	On-Demand	Anodyne	SIRT2	21	42
CC(C)(C)OC(=O)NCCC1CCN(CC2C[C@@H]3C[C@H]3C2)CC1	ZINC000852213462	DH	On-Demand	Anodyne	SIRT1	19	42
CC(C)(C)OC(=O)NCCC1CCN(CC2C[C@H]3C[C@@H]3C2)CC1	ZINC000852213463	DH	On-Demand	Anodyne	SIRT3	18	42
CC(C)(C)OC(=O)NCCC1CCN(CC2C[C@H]3C[C@@H]3C2)CC1	ZINC000852213463	DH	On-Demand	Anodyne	SIRT2	21	42
CC(C)(C)OC(=O)NCCC1CCN(CC2C[C@H]3C[C@@H]3C2)CC1	ZINC000852213463	DH	On-Demand	Anodyne	SIRT1	19	42
CC(C)(C)C1CCC(CNC(=O)NCc2ncccn2)CC1	ZINC000852213468	DG	On-Demand	Anodyne	CACNA1I	45	32
COCCN(CCF)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852213499	EF	On-Demand	Anodyne	MME	60	36
CC(C)(C)OC(=O)NCCC1CCN(CC=C(Cl)Cl)CC1	ZINC000852213513	EH	On-Demand	Anodyne	CACNA1I	51	40
CC(C)(C)OC(=O)NCCC1CCN(CC=C(Cl)Cl)CC1	ZINC000852213513	EH	On-Demand	Anodyne	SIRT3	18	42
CC(C)(C)OC(=O)NCCC1CCN(CC=C(Cl)Cl)CC1	ZINC000852213513	EH	On-Demand	Anodyne	SIRT2	21	42
CC(C)(C)OC(=O)NCCC1CCN(CC=C(Cl)Cl)CC1	ZINC000852213513	EH	On-Demand	Anodyne	SIRT1	19	42
COC(=O)[C@@H](c1ccc(Cl)cc1)N1C[C@@H]2[C@H](C1)C2(F)F	ZINC000852213539	DF	On-Demand	Anodyne	SLC6A3	17	42
COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)nc2)C[C@H]1c1ccccc1	ZINC000852213604	FF	On-Demand	Anodyne	SLC6A4	20	41
COC(=O)[C@@H]1CN(CC(=O)Nc2ccc(Cl)nc2)C[C@H]1c1ccccc1	ZINC000852213604	FF	On-Demand	Anodyne	SLC6A3	36	43
O[C@@H]1CCCC[C@H]1N1CCC[C@]2(C1)CC2(F)F	ZINC000852213610	BE	On-Demand	Anodyne	SLC18A3	36	44
O[C@@H]1CCCC[C@H]1N1CCC[C@@]2(C1)CC2(F)F	ZINC000852213614	BE	On-Demand	Anodyne	SLC18A3	36	44
CC(C)(C)OC(=O)NCCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1	ZINC000852213629	GF	On-Demand	Anodyne	SIRT3	25	42
CC(C)(C)OC(=O)NCCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1	ZINC000852213629	GF	On-Demand	Anodyne	SIRT2	25	42
CC(C)(C)OC(=O)NCCC1CCN(CCc2nnn(C(C)(C)C)n2)CC1	ZINC000852213629	GF	On-Demand	Anodyne	SIRT1	24	42
CC(C)(C)OC(=O)NCCC1CCN(Cc2coc(S(N)(=O)=O)c2)CC1	ZINC000852213645	GE	On-Demand	Anodyne	ACHE	34	44
CC(C)(C)OC(=O)NCCC1CCN(Cc2coc(S(N)(=O)=O)c2)CC1	ZINC000852213645	GE	On-Demand	Anodyne	CACNA1I	59	36
CC(C)(C)OC(=O)NCCC1CCN(Cc2coc(S(N)(=O)=O)c2)CC1	ZINC000852213645	GE	On-Demand	Anodyne	SIRT3	29	42
CC(C)(C)OC(=O)NCCC1CCN(Cc2coc(S(N)(=O)=O)c2)CC1	ZINC000852213645	GE	On-Demand	Anodyne	SIRT2	29	42
CC(C)(C)OC(=O)NCCC1CCN(Cc2coc(S(N)(=O)=O)c2)CC1	ZINC000852213645	GE	On-Demand	Anodyne	SIRT1	29	42
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c(C)o1	ZINC000852213654	EG	On-Demand	Anodyne	ACHE	18	41
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c(C)o1	ZINC000852213654	EG	On-Demand	Anodyne	PDE8B	51	34
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c(C)o1	ZINC000852213654	EG	On-Demand	Anodyne	CACNA1I	55	34
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c(C)o1	ZINC000852213654	EG	On-Demand	Anodyne	SIRT3	22	42
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c(C)o1	ZINC000852213654	EG	On-Demand	Anodyne	SIRT2	22	42
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)c(C)o1	ZINC000852213654	EG	On-Demand	Anodyne	SIRT1	20	42
COC(=O)N(C)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852213822	EE	On-Demand	Anodyne	MME	57	37
COC(=O)N(C)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852213822	EE	On-Demand	Anodyne	PAPA1_CARPA	55	38
COC(=O)N(C)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852213822	EE	On-Demand	Anodyne	CTSF	42	32
COC(=O)N(C)CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852213822	EE	On-Demand	Anodyne	CAPN2	53	31
COC(=O)N(C)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852213824	EE	On-Demand	Anodyne	MME	57	37
COC(=O)N(C)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852213824	EE	On-Demand	Anodyne	PAPA1_CARPA	55	38
COC(=O)N(C)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852213824	EE	On-Demand	Anodyne	CTSF	42	32
COC(=O)N(C)CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852213824	EE	On-Demand	Anodyne	CAPN2	53	31
CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852213836	GD	On-Demand	Anodyne	ACE	15	43
CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852213836	GD	On-Demand	Anodyne	PYGL	29	41
CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852213836	GD	On-Demand	Anodyne	PYGM	26	41
CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852213838	GD	On-Demand	Anodyne	ACE	15	43
CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852213838	GD	On-Demand	Anodyne	PYGL	29	41
CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852213838	GD	On-Demand	Anodyne	PYGM	26	41
CO[C@@H]1CC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000852213846	EG	On-Demand	Anodyne	SIRT3	15	40
CO[C@@H]1CC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000852213846	EG	On-Demand	Anodyne	SIRT2	15	40
CO[C@@H]1CC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000852213846	EG	On-Demand	Anodyne	SIRT1	15	40
O[C@@H]1CCC[C@H]1N1CCC[C@]2(C1)CC2(F)F	ZINC000852213885	BE	On-Demand	Anodyne	SLC18A3	33	41
O[C@@H]1CCC[C@H]1N1CCC[C@@]2(C1)CC2(F)F	ZINC000852213886	BE	On-Demand	Anodyne	SLC18A3	33	41
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	ACHE	19	40
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	HTR4	25	41
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	HRH3	17	41
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	CCR3	30	46
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	CACNA1G	19	40
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	CACNA1I	50	41
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	SIRT3	15	40
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	SIRT2	21	40
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	SIRT1	19	40
CC(C)(C)OC(=O)NCCC1CCN(CCc2ccc(C#N)cc2)CC1	ZINC000852213932	FH	On-Demand	Mild	KCNJ1	40	49
CC(C)(C)OC(=O)NCCC1CCN(Cc2nnc(C(F)(F)F)s2)CC1	ZINC000852213946	GH	On-Demand	Anodyne	ACHE	17	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2nnc(C(F)(F)F)s2)CC1	ZINC000852213946	GH	On-Demand	Anodyne	CACNA1I	41	34
CC(C)(C)OC(=O)NCCC1CCN(Cc2nnc(C(F)(F)F)s2)CC1	ZINC000852213946	GH	On-Demand	Anodyne	SIRT3	53	46
CC(C)(C)OC(=O)NCCC1CCN(Cc2nnc(C(F)(F)F)s2)CC1	ZINC000852213946	GH	On-Demand	Anodyne	SIRT2	56	46
CC(C)(C)OC(=O)NCCC1CCN(Cc2nnc(C(F)(F)F)s2)CC1	ZINC000852213946	GH	On-Demand	Anodyne	SIRT1	54	46
CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000852213948	GH	On-Demand	Bother	ACHE	23	47
CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000852213948	GH	On-Demand	Bother	CACNA1I	54	34
CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000852213948	GH	On-Demand	Bother	SIRT3	23	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000852213948	GH	On-Demand	Bother	SIRT2	25	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000852213948	GH	On-Demand	Bother	SIRT1	25	41
CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000852213948	GH	On-Demand	Bother	GPR119	17	41
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H]2CCC(=O)O2)CC1	ZINC000852213958	EE	On-Demand	Anodyne	SIRT2	21	40
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H]2CCC(=O)O2)CC1	ZINC000852213958	EE	On-Demand	Anodyne	SIRT1	19	40
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2CCC(=O)O2)CC1	ZINC000852213960	EE	On-Demand	Anodyne	SIRT2	21	40
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2CCC(=O)O2)CC1	ZINC000852213960	EE	On-Demand	Anodyne	SIRT1	19	40
O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852213966	GF	On-Demand	Anodyne	CALCRL	55	39
O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852213968	GF	On-Demand	Anodyne	CALCRL	55	39
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H]2CNC(=O)C2)CC1	ZINC000852213969	ED	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H]2CNC(=O)C2)CC1	ZINC000852213969	ED	On-Demand	Anodyne	SIRT3	18	41
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H]2CNC(=O)C2)CC1	ZINC000852213969	ED	On-Demand	Anodyne	SIRT2	21	41
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H]2CNC(=O)C2)CC1	ZINC000852213969	ED	On-Demand	Anodyne	SIRT1	19	41
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2CNC(=O)C2)CC1	ZINC000852213971	ED	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2CNC(=O)C2)CC1	ZINC000852213971	ED	On-Demand	Anodyne	SIRT3	18	41
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2CNC(=O)C2)CC1	ZINC000852213971	ED	On-Demand	Anodyne	SIRT2	21	41
CC(C)(C)OC(=O)NCCC1CCN(C[C@H]2CNC(=O)C2)CC1	ZINC000852213971	ED	On-Demand	Anodyne	SIRT1	19	41
FC1(F)C[C@]12CCCN(CCc1nsc3ccccc13)C2	ZINC000852213973	DH	On-Demand	Anodyne	DRD2	18	40
FC1(F)C[C@@]12CCCN(CCc1nsc3ccccc13)C2	ZINC000852213975	DH	On-Demand	Anodyne	DRD2	18	40
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1c1ccccc1	ZINC000852214022	DD	On-Demand	Anodyne	SLC6A4	30	44
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1c1ccccc1	ZINC000852214022	DD	On-Demand	Anodyne	SLC6A3	54	42
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1c1ccccc1	ZINC000852214023	DD	On-Demand	Anodyne	SLC6A4	30	44
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1c1ccccc1	ZINC000852214023	DD	On-Demand	Anodyne	SLC6A3	54	42
CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(C3CC3)no2)CC1	ZINC000852214072	EH	On-Demand	Anodyne	ACHE	23	40
CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(C3CC3)no2)CC1	ZINC000852214072	EH	On-Demand	Anodyne	CACNA1I	54	35
CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(C3CC3)no2)CC1	ZINC000852214072	EH	On-Demand	Anodyne	SIRT3	27	43
CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(C3CC3)no2)CC1	ZINC000852214072	EH	On-Demand	Anodyne	SIRT2	26	43
CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(C3CC3)no2)CC1	ZINC000852214072	EH	On-Demand	Anodyne	SIRT1	25	43
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)co1	ZINC000852214073	DG	On-Demand	Anodyne	ACHE	23	44
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)co1	ZINC000852214073	DG	On-Demand	Anodyne	CACNA1I	55	35
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)co1	ZINC000852214073	DG	On-Demand	Anodyne	SIRT3	27	43
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)co1	ZINC000852214073	DG	On-Demand	Anodyne	SIRT2	26	43
Cc1nc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)co1	ZINC000852214073	DG	On-Demand	Anodyne	SIRT1	25	43
FC1(F)C[C@@]12CCCN(CC[C@@H]1CCc3ccccc31)C2	ZINC000852214074	CI	On-Demand	Anodyne	SIGMAR1	16	57
FC1(F)C[C@@]12CCCN(CC[C@@H]1CCc3ccccc31)C2	ZINC000852214074	CI	On-Demand	Anodyne	EBP	36	65
FC1(F)C[C@@]12CCCN(CC[C@H]1CCc3ccccc31)C2	ZINC000852214075	CI	On-Demand	Anodyne	SIGMAR1	16	57
FC1(F)C[C@@]12CCCN(CC[C@H]1CCc3ccccc31)C2	ZINC000852214075	CI	On-Demand	Anodyne	EBP	36	65
FC1(F)C[C@]12CCCN(CC[C@@H]1CCc3ccccc31)C2	ZINC000852214076	CI	On-Demand	Anodyne	SIGMAR1	16	57
FC1(F)C[C@]12CCCN(CC[C@@H]1CCc3ccccc31)C2	ZINC000852214076	CI	On-Demand	Anodyne	EBP	36	65
FC1(F)C[C@]12CCCN(CC[C@H]1CCc3ccccc31)C2	ZINC000852214077	CI	On-Demand	Anodyne	SIGMAR1	16	57
FC1(F)C[C@]12CCCN(CC[C@H]1CCc3ccccc31)C2	ZINC000852214077	CI	On-Demand	Anodyne	EBP	36	65
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccccc1	ZINC000852214096	DF	On-Demand	Anodyne	SLC6A3	33	41
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccccc1	ZINC000852214096	DF	On-Demand	Anodyne	PDE8B	55	36
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852214101	GG	On-Demand	Anodyne	ACHE	16	40
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852214101	GG	On-Demand	Anodyne	CACNA1I	61	40
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852214101	GG	On-Demand	Anodyne	SIRT3	30	42
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852214101	GG	On-Demand	Anodyne	SIRT2	29	42
CC(C)(C)OC(=O)NCCC1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852214101	GG	On-Demand	Anodyne	SIRT1	29	42
COC(=O)[C@@H]1CN(CC2=NS(=O)(=O)c3ccccc32)C[C@H]1c1ccccc1	ZINC000852214111	GE	On-Demand	Anodyne	SLC6A3	22	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3C)C2)cc1	ZINC000852214156	FG	On-Demand	Clean	MTNR1A	41	50
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3C)C2)cc1	ZINC000852214156	FG	On-Demand	Clean	MTNR1B	30	50
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3C)C2)cc1	ZINC000852214156	FG	On-Demand	Clean	EPHX2	22	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3C)C2)cc1	ZINC000852214156	FG	On-Demand	Clean	MCHR1	17	46
COC(=O)N(C)CCNC(=O)NCc1ccc(OC)cc1C	ZINC000852214158	DD	On-Demand	Anodyne	MTNR1A	54	41
CCN1CC[C@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852214210	EE	On-Demand	Anodyne	SIRT3	23	41
CCN1CC[C@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852214210	EE	On-Demand	Anodyne	SIRT2	24	41
CCN1CC[C@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852214210	EE	On-Demand	Anodyne	SIRT1	24	41
CCN1CC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852214212	EE	On-Demand	Anodyne	SIRT3	23	41
CCN1CC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852214212	EE	On-Demand	Anodyne	SIRT2	24	41
CCN1CC[C@@H](N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000852214212	EE	On-Demand	Anodyne	SIRT1	24	41
COC(=O)[C@@H]1CN(CCn2cnc(Br)n2)C[C@H]1c1ccccc1	ZINC000852214220	GD	On-Demand	Anodyne	SLC6A4	18	43
COC(=O)[C@@H]1CN(CCn2cnc(Br)n2)C[C@H]1c1ccccc1	ZINC000852214220	GD	On-Demand	Anodyne	SLC6A3	33	49
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H](C)O1	ZINC000852214228	CC	On-Demand	Anodyne	PDE8B	43	33
COC(=O)c1nc(CNC(=O)NCc2ccc(OC)cc2C)ccc1Cl	ZINC000852214253	GF	On-Demand	Anodyne	P2RX7	26	41
CC(C)(C)OC(=O)NCCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214278	GD	On-Demand	Anodyne	ACHE	32	48
CC(C)(C)OC(=O)NCCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214278	GD	On-Demand	Anodyne	CHRM3	46	36
CC(C)(C)OC(=O)NCCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214278	GD	On-Demand	Anodyne	AMY2	51	29
CC(C)(C)OC(=O)NCCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214278	GD	On-Demand	Anodyne	CACNA1I	50	35
CC(C)(C)OC(=O)NCCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214278	GD	On-Demand	Anodyne	SIRT3	46	44
CC(C)(C)OC(=O)NCCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214278	GD	On-Demand	Anodyne	SIRT2	49	44
CC(C)(C)OC(=O)NCCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214278	GD	On-Demand	Anodyne	SIRT1	49	44
CC(C)(C)OC(=O)NCCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214279	GD	On-Demand	Anodyne	ACHE	32	48
CC(C)(C)OC(=O)NCCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214279	GD	On-Demand	Anodyne	CHRM3	46	36
CC(C)(C)OC(=O)NCCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214279	GD	On-Demand	Anodyne	AMY2	51	29
CC(C)(C)OC(=O)NCCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214279	GD	On-Demand	Anodyne	CACNA1I	50	35
CC(C)(C)OC(=O)NCCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214279	GD	On-Demand	Anodyne	SIRT3	46	44
CC(C)(C)OC(=O)NCCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214279	GD	On-Demand	Anodyne	SIRT2	49	44
CC(C)(C)OC(=O)NCCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852214279	GD	On-Demand	Anodyne	SIRT1	49	44
N#Cc1ccc(CCN2CCC[C@@]3(C2)CC3(F)F)cc1	ZINC000852214293	CG	On-Demand	Mild	KCNJ1	28	46
N#Cc1ccc(CCN2CCC[C@]3(C2)CC3(F)F)cc1	ZINC000852214294	CG	On-Demand	Mild	KCNJ1	28	46
CC(=O)c1[nH]c(CCN2CCC(CCNC(=O)OC(C)(C)C)CC2)nc1C	ZINC000852214319	GG	On-Demand	Anodyne	CACNA1I	43	36
C[C@H]1C[C@@H](C)CN(CCN2CCC(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000852214320	FH	On-Demand	Anodyne	CACNA1I	45	36
C[C@H]1C[C@@H](C)CN(CCN2CCC(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000852214320	FH	On-Demand	Anodyne	SIRT2	21	40
C[C@H]1C[C@@H](C)CN(CCN2CCC(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000852214320	FH	On-Demand	Anodyne	SIRT1	19	40
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccccc1	ZINC000852214327	CE	On-Demand	Anodyne	SLC6A2	15	47
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccccc1	ZINC000852214327	CE	On-Demand	Anodyne	SLC6A4	44	47
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccccc1	ZINC000852214327	CE	On-Demand	Anodyne	SLC6A3	93	47
C#CCOCCN1C[C@@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000852214354	CD	On-Demand	Mild	SLC6A4	21	45
C#CCOCCN1C[C@@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000852214354	CD	On-Demand	Mild	SLC6A3	39	51
COC(=O)[C@@H]1CN(CC(F)(F)Br)C[C@H]1c1ccccc1	ZINC000852214360	EF	On-Demand	Anodyne	SLC6A4	28	46
COC(=O)[C@@H]1CN(CC(F)(F)Br)C[C@H]1c1ccccc1	ZINC000852214360	EF	On-Demand	Anodyne	SLC6A3	48	53
O=C(NCc1nc(C2CC2)cs1)NNc1ccc(Cl)cn1	ZINC000852214397	DF	On-Demand	Reactive	F10	45	29
COC(=O)[C@@H]1CN(Cc2cnon2)C[C@H]1c1ccccc1	ZINC000852214416	CD	On-Demand	Anodyne	SLC6A3	27	47
NC(=O)[C@](O)(CNC1(C2CCC2)CC1)c1ccccc1	ZINC000852214417	CD	On-Demand	Anodyne	AMY2	42	29
NC(=O)[C@@](O)(CNC1(C2CCC2)CC1)c1ccccc1	ZINC000852214418	CD	On-Demand	Anodyne	AMY2	42	29
COc1ccc(N2CC[C@H](NC(=O)NCc3nc(C4CC4)cs3)C2)cc1	ZINC000852214419	FG	On-Demand	Clean	NPBWR1	49	30
O=C(N[C@@H]1C=CCC1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852214465	CG	On-Demand	Anodyne	MME	45	37
O=C(N[C@@H]1C=CCC1)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000852214466	CG	On-Demand	Anodyne	MME	45	37
O=C(N[C@H]1C=CCC1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000852214467	CG	On-Demand	Anodyne	MME	45	37
O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N[C@H]1C=CCC1	ZINC000852214468	CG	On-Demand	Anodyne	MME	45	37
NC(=O)[C@](O)(CN1C[C@H]2[C@H](C1)C2(F)F)c1ccccc1	ZINC000852214526	CC	On-Demand	Anodyne	CHRM2	18	41
NC(=O)[C@](O)(CN1C[C@H]2[C@H](C1)C2(F)F)c1ccccc1	ZINC000852214526	CC	On-Demand	Anodyne	CHRM3	32	41
NC(=O)[C@](O)(CN1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1	ZINC000852214527	CC	On-Demand	Anodyne	CHRM2	18	41
NC(=O)[C@](O)(CN1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1	ZINC000852214527	CC	On-Demand	Anodyne	CHRM3	32	41
NC(=O)[C@@](O)(CN1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1	ZINC000852214528	CC	On-Demand	Anodyne	CHRM2	18	41
NC(=O)[C@@](O)(CN1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1	ZINC000852214528	CC	On-Demand	Anodyne	CHRM3	32	41
NC(=O)[C@](O)(CN1C[C@@H]2[C@@H](C1)C2(F)F)c1ccccc1	ZINC000852214529	CC	On-Demand	Anodyne	CHRM2	18	41
NC(=O)[C@](O)(CN1C[C@@H]2[C@@H](C1)C2(F)F)c1ccccc1	ZINC000852214529	CC	On-Demand	Anodyne	CHRM3	32	41
COC(=O)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)[C@H]1CCC[C@@H](OC)C1	ZINC000852214546	FC	On-Demand	Anodyne	AMY2	45	32
COC(=O)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)[C@H]1CCC[C@H](OC)C1	ZINC000852214547	FC	On-Demand	Anodyne	AMY2	45	32
COC(=O)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCC[C@@H](OC)C1	ZINC000852214548	FC	On-Demand	Anodyne	AMY2	45	32
COC(=O)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCC[C@H](OC)C1	ZINC000852214549	FC	On-Demand	Anodyne	AMY2	45	32
FC1(F)[C@@H]2CN(CCOCc3ccccc3)C[C@@H]21	ZINC000852214565	CE	On-Demand	Anodyne	GBA	19	40
FC1(F)[C@@H]2CN(CCOCc3ccccc3)C[C@@H]21	ZINC000852214565	CE	On-Demand	Anodyne	GBA2	46	40
FC1(F)[C@@H]2CN(CCOCc3ccccc3)C[C@H]21	ZINC000852214566	CE	On-Demand	Anodyne	GBA	19	40
FC1(F)[C@@H]2CN(CCOCc3ccccc3)C[C@H]21	ZINC000852214566	CE	On-Demand	Anodyne	GBA2	46	40
FC1(F)[C@H]2CN(CCOCc3ccccc3)C[C@@H]21	ZINC000852214567	CE	On-Demand	Anodyne	GBA	19	40
FC1(F)[C@H]2CN(CCOCc3ccccc3)C[C@@H]21	ZINC000852214567	CE	On-Demand	Anodyne	GBA2	46	40
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(F)n2)CC1	ZINC000852214587	EG	On-Demand	Anodyne	ACHE	34	45
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(F)n2)CC1	ZINC000852214587	EG	On-Demand	Anodyne	CACNA1I	55	34
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(F)n2)CC1	ZINC000852214587	EG	On-Demand	Anodyne	SIRT3	40	34
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(F)n2)CC1	ZINC000852214587	EG	On-Demand	Anodyne	SIRT2	41	42
CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(F)n2)CC1	ZINC000852214587	EG	On-Demand	Anodyne	SIRT1	40	34
CC(C)(C)OC(=O)NCCC1CCN(CCOC(F)F)CC1	ZINC000852214616	DF	On-Demand	Anodyne	CACNA1I	62	42
CC(C)(C)OC(=O)NCCC1CCN(CCOC(F)F)CC1	ZINC000852214616	DF	On-Demand	Anodyne	SIRT2	15	40
CC(C)(C)OC(=O)NCCC1CCN(CCOC(F)F)CC1	ZINC000852214616	DF	On-Demand	Anodyne	SIRT1	15	40
C#CCOCCN1CCC(CCNC(=O)OC(C)(C)C)CC1	ZINC000852214636	DE	On-Demand	Mild	CACNA1I	44	39
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852214646	DF	On-Demand	Anodyne	SLC18A3	36	51
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852214646	DF	On-Demand	Anodyne	CACNA1I	45	33
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852214646	DF	On-Demand	Anodyne	SIRT3	27	45
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852214646	DF	On-Demand	Anodyne	SIRT2	27	45
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2CCC[C@H]2O)CC1	ZINC000852214646	DF	On-Demand	Anodyne	SIRT1	26	45
CC(C)(C)OC(=O)NCCC1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852214650	EF	On-Demand	Anodyne	ACHE	19	48
CC(C)(C)OC(=O)NCCC1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852214650	EF	On-Demand	Anodyne	HTR4	40	38
CC(C)(C)OC(=O)NCCC1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852214650	EF	On-Demand	Anodyne	CACNA1I	62	38
CC(C)(C)OC(=O)NCCC1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852214650	EF	On-Demand	Anodyne	SIRT3	55	38
CC(C)(C)OC(=O)NCCC1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852214650	EF	On-Demand	Anodyne	SIRT2	58	46
CC(C)(C)OC(=O)NCCC1CCN(C[C@H](O)c2ccccn2)CC1	ZINC000852214650	EF	On-Demand	Anodyne	SIRT1	56	46
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852214651	EF	On-Demand	Anodyne	ACHE	19	48
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852214651	EF	On-Demand	Anodyne	HTR4	40	38
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852214651	EF	On-Demand	Anodyne	CACNA1I	62	38
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852214651	EF	On-Demand	Anodyne	SIRT3	55	38
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852214651	EF	On-Demand	Anodyne	SIRT2	58	46
CC(C)(C)OC(=O)NCCC1CCN(C[C@@H](O)c2ccccn2)CC1	ZINC000852214651	EF	On-Demand	Anodyne	SIRT1	56	46
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1	ZINC000852214665	GG	On-Demand	Anodyne	SIRT3	15	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1	ZINC000852214665	GG	On-Demand	Anodyne	SIRT2	22	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1	ZINC000852214665	GG	On-Demand	Anodyne	SIRT1	20	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1	ZINC000852214666	GG	On-Demand	Anodyne	SIRT3	15	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1	ZINC000852214666	GG	On-Demand	Anodyne	SIRT2	22	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1	ZINC000852214666	GG	On-Demand	Anodyne	SIRT1	20	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1	ZINC000852214667	GG	On-Demand	Anodyne	SIRT3	15	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1	ZINC000852214667	GG	On-Demand	Anodyne	SIRT2	22	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1	ZINC000852214667	GG	On-Demand	Anodyne	SIRT1	20	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1	ZINC000852214668	GG	On-Demand	Anodyne	SIRT3	15	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1	ZINC000852214668	GG	On-Demand	Anodyne	SIRT2	22	41
CC(C)(C)OC(=O)NCCC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1	ZINC000852214668	GG	On-Demand	Anodyne	SIRT1	20	41
FC1(F)C[C@@]12CCCN(CCC1CCC1)C2	ZINC000852214719	BG	On-Demand	Anodyne	EBP	15	49
FC1(F)C[C@]12CCCN(CCC1CCC1)C2	ZINC000852214720	BG	On-Demand	Anodyne	EBP	15	49
CN(CCN1CCCCC1)CCn1cnc(Br)n1	ZINC000852214744	DD	On-Demand	Anodyne	SIGMAR1	15	50
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	HTR1A	74	59
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	DRD2	70	54
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	DRD4	59	49
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	ADRA1D	23	42
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	HTR2A	60	50
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	HTR2C	38	46
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	SLC6A4	17	46
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	ADRA1A	28	42
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	ADRA1B	19	42
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	DRD3	99	54
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	HTR4	19	46
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	HTR7	54	42
COCCN(CCF)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214781	GE	On-Demand	Anodyne	PLD2	40	39
COC(=O)[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C1CC1	ZINC000852214782	EC	On-Demand	Anodyne	CHRM2	23	40
COC(=O)[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C1CC1	ZINC000852214783	EC	On-Demand	Anodyne	CHRM2	23	40
CN(CCN1CCCCC1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852214843	DE	On-Demand	Anodyne	HRH3	18	41
CN(CCN1CCCCC1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852214843	DE	On-Demand	Anodyne	CHRNA7	19	41
CN(CCN1CCCCC1)CC(=O)Nc1ccc(Cl)nc1	ZINC000852214843	DE	On-Demand	Anodyne	HNMT	41	34
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	HTR1A	80	59
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	DRD2	66	54
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	DRD1	17	41
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	DRD4	59	49
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	ADRA1D	34	42
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	HTR2A	61	53
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	HTR2C	37	46
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	SLC6A4	17	46
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	ADRA1A	35	42
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	ADRA1B	20	42
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	DRD3	92	59
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	HTR4	22	46
COC(=O)N(C)CCNC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000852214861	GD	On-Demand	Anodyne	HTR7	69	45
CC[C@@H](C(=O)OC(C)(C)C)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852214863	ED	On-Demand	Anodyne	AMY2	58	35
CC[C@@H](C(=O)OC(C)(C)C)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852214865	ED	On-Demand	Anodyne	AMY2	58	35
CN(CCN1CCCCC1)Cc1cccc(F)n1	ZINC000852214905	CE	On-Demand	Anodyne	HRH3	27	42
CN(CCN1CCCCC1)Cc1cccc(F)n1	ZINC000852214905	CE	On-Demand	Anodyne	SIGMAR1	23	50
CCC(CC)(CNC(=O)NCCS(=O)(=O)CC1CC1)c1ccc(F)cc1	ZINC000852214947	GG	On-Demand	Anodyne	CACNA1G	40	47
Fc1ccc(CCC2CCN(Cc3cnon3)CC2)c(F)c1	ZINC000852214974	DG	On-Demand	Anodyne	HTR2A	21	47
O=C(NCCS(=O)(=O)CC1CC1)NCc1cccnc1N1CCCC1	ZINC000852214988	FD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCCS(=O)(=O)CC1CC1)NCc1cccnc1N1CCCC1	ZINC000852214988	FD	On-Demand	Anodyne	SCN10A	18	42
CCOc1ccc(C=NO[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1	ZINC000852215179	FH	On-Demand	Mild	DRD4	22	42
CCOc1ccc(C=NO[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1	ZINC000852215179	FH	On-Demand	Mild	TPP2	65	35
CCOc1ccc(C=NO[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1	ZINC000852215181	FH	On-Demand	Mild	DRD4	22	42
CCOc1ccc(C=NO[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1	ZINC000852215181	FH	On-Demand	Mild	TPP2	65	35
CCOc1ccc(C=NO[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1	ZINC000852215184	FH	On-Demand	Mild	DRD4	22	42
CCOc1ccc(C=NO[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1	ZINC000852215184	FH	On-Demand	Mild	TPP2	65	35
CCOc1ccc(C=NO[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1	ZINC000852215186	FH	On-Demand	Mild	DRD4	22	42
CCOc1ccc(C=NO[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1	ZINC000852215186	FH	On-Demand	Mild	TPP2	65	35
O=S1(=O)N=C(CN2CCC(c3ccc4cccnc4n3)CC2)c2ccccc21	ZINC000852215257	GG	On-Demand	Anodyne	AKT2	16	42
O=C(NCCc1ccnc2ccccc12)NCCS(=O)(=O)CC1CC1	ZINC000852215266	FD	On-Demand	Anodyne	MTNR1A	21	41
C#C[C@@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852215267	CE	On-Demand	Mild	SLC6A1	60	33
C#C[C@@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852215267	CE	On-Demand	Mild	CHEK2	34	41
C#C[C@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852215268	CE	On-Demand	Mild	SLC6A1	60	33
C#C[C@H]1CCCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)C1	ZINC000852215268	CE	On-Demand	Mild	CHEK2	34	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(=O)(=O)CC2CC2)C1	ZINC000852215274	FD	On-Demand	Anodyne	SFRP1	62	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(=O)(=O)CC2CC2)C1	ZINC000852215274	FD	On-Demand	Anodyne	WNT3	44	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(=O)(=O)CC2CC2)C1	ZINC000852215275	FD	On-Demand	Anodyne	SFRP1	62	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(=O)(=O)CC2CC2)C1	ZINC000852215275	FD	On-Demand	Anodyne	WNT3	44	36
O=C(NCCS(=O)(=O)CC1CC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852215295	GE	On-Demand	Anodyne	TRPM8	16	48
CCCCCC[C@](O)(CN1CCC(c2ccc3cccnc3n2)CC1)C(=O)OC	ZINC000852215341	GH	On-Demand	Anodyne	SUCNR1	41	32
C#C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215462	CC	On-Demand	Mild	CHRM2	22	40
C#C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215462	CC	On-Demand	Mild	SLC6A1	94	36
C#C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215462	CC	On-Demand	Mild	CHRM3	36	40
C#C[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215462	CC	On-Demand	Mild	CYP2J2	43	31
C#C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215463	CC	On-Demand	Mild	CHRM2	22	40
C#C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215463	CC	On-Demand	Mild	SLC6A1	94	36
C#C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215463	CC	On-Demand	Mild	CHRM3	36	40
C#C[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215463	CC	On-Demand	Mild	CYP2J2	43	31
C#C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215464	CC	On-Demand	Mild	CHRM2	22	40
C#C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215464	CC	On-Demand	Mild	SLC6A1	94	36
C#C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215464	CC	On-Demand	Mild	CHRM3	36	40
C#C[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215464	CC	On-Demand	Mild	CYP2J2	43	31
C#C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215465	CC	On-Demand	Mild	CHRM2	22	40
C#C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215465	CC	On-Demand	Mild	SLC6A1	94	36
C#C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215465	CC	On-Demand	Mild	CHRM3	36	40
C#C[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852215465	CC	On-Demand	Mild	CYP2J2	43	31
Cn1cnnc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852215508	EC	On-Demand	Anodyne	SLC27A1	44	37
O[C@@H](CN1CCC(CCc2ccc(F)cc2F)CC1)c1ccccn1	ZINC000852215517	EH	On-Demand	Anodyne	HTR2A	22	51
O[C@H](CN1CCC(CCc2ccc(F)cc2F)CC1)c1ccccn1	ZINC000852215518	EH	On-Demand	Anodyne	HTR2A	22	51
CN(CCN1CCCCC1)C[C@H](O)c1ccccn1	ZINC000852215556	CD	On-Demand	Anodyne	DRD4	16	40
CN(CCN1CCCCC1)C[C@H](O)c1ccccn1	ZINC000852215556	CD	On-Demand	Anodyne	HRH3	25	47
CN(CCN1CCCCC1)C[C@H](O)c1ccccn1	ZINC000852215556	CD	On-Demand	Anodyne	SIGMAR1	15	46
CN(CCN1CCCCC1)C[C@H](O)c1ccccn1	ZINC000852215556	CD	On-Demand	Anodyne	HNMT	43	43
CN(CCN1CCCCC1)C[C@@H](O)c1ccccn1	ZINC000852215557	CD	On-Demand	Anodyne	DRD4	16	40
CN(CCN1CCCCC1)C[C@@H](O)c1ccccn1	ZINC000852215557	CD	On-Demand	Anodyne	HRH3	25	47
CN(CCN1CCCCC1)C[C@@H](O)c1ccccn1	ZINC000852215557	CD	On-Demand	Anodyne	SIGMAR1	15	46
CN(CCN1CCCCC1)C[C@@H](O)c1ccccn1	ZINC000852215557	CD	On-Demand	Anodyne	HNMT	43	43
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	HTR1A	97	62
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	DRD2	76	59
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	DRD1	20	51
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	DRD4	61	54
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	ADRA1D	27	44
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	HTR2A	73	55
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	HTR2C	38	51
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	SLC6A4	18	48
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	ADRA1A	31	43
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	ADRA1B	17	44
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	DRD3	90	54
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	HRP1_PLAFA	69	37
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	HTR7	92	52
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	PLD1	24	45
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NCc1ncccn1	ZINC000852215576	FD	On-Demand	Anodyne	PLD2	61	45
O=C(NCCS(=O)(=O)CC1CC1)NCC1CCN(CC2CC2)CC1	ZINC000852215665	FD	On-Demand	Anodyne	CACNA1I	45	33
C#C[C@H]1CCCN(CCSc2cccc(OC)c2)C1	ZINC000852215703	CG	On-Demand	Mild	EBP	45	39
C#C[C@H]1CCCN(CCSc2cccc(OC)c2)C1	ZINC000852215703	CG	On-Demand	Mild	CHRNA10	34	40
C#C[C@@H]1CCCN(CCSc2cccc(OC)c2)C1	ZINC000852215704	CG	On-Demand	Mild	EBP	45	39
C#C[C@@H]1CCCN(CCSc2cccc(OC)c2)C1	ZINC000852215704	CG	On-Demand	Mild	CHRNA10	34	40
O=C(CNC1(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(Cl)nc1	ZINC000852215734	FH	On-Demand	Anodyne	ATF1	31	40
O=C(CNC1(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(Cl)nc1	ZINC000852215734	FH	On-Demand	Anodyne	NFKB1	29	40
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	CHRM2	15	46
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	CHRM1	16	46
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	CHRM4	18	42
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	CHRM5	17	42
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	CHRM3	29	46
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	HRH3	19	48
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	SIGMAR1	18	49
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	AMY2	58	34
CN(CCN1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852215737	DC	On-Demand	Anodyne	CYP2J2	47	33
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	CHRM2	15	46
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	CHRM1	16	46
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	CHRM4	18	42
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	CHRM5	17	42
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	CHRM3	29	46
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	HRH3	19	48
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	SIGMAR1	18	49
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	AMY2	58	34
CN(CCN1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852215738	DC	On-Demand	Anodyne	CYP2J2	47	33
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2ccccc2)cc1	ZINC000852215785	DG	On-Demand	Mild	LTA4H	20	44
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2ccccc2)cc1	ZINC000852215785	DG	On-Demand	Mild	TIMP3	65	36
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2ccccc2)cc1	ZINC000852215785	DG	On-Demand	Mild	FAAH	22	50
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccccc2)cc1	ZINC000852215786	DG	On-Demand	Mild	LTA4H	20	44
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccccc2)cc1	ZINC000852215786	DG	On-Demand	Mild	TIMP3	65	36
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccccc2)cc1	ZINC000852215786	DG	On-Demand	Mild	FAAH	22	50
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3COc4ccccc4O3)C2)cc1	ZINC000852215812	GF	On-Demand	Clean	MTNR1A	16	50
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3COc4ccccc4O3)C2)cc1	ZINC000852215813	GF	On-Demand	Clean	MTNR1A	16	50
CCCN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)C	ZINC000852215826	CD	On-Demand	Anodyne	AMY2	57	36
CCCN(C[C@](O)(C(N)=O)c1ccccc1)C(C)C	ZINC000852215827	CD	On-Demand	Anodyne	AMY2	57	36
O=C(CN1CCC(c2ccc3cccnc3n2)CC1)Nc1ccc(Cl)nc1	ZINC000852215858	GG	On-Demand	Anodyne	SUCNR1	45	33
Cn1cnnc1N1CCN(CCOC(F)F)CC1	ZINC000852215883	CC	On-Demand	Anodyne	SLC6A3	26	40
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	HTR1A	63	59
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	DRD2	50	56
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	DRD4	51	43
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	HTR2A	51	53
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	HTR2C	26	44
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	ADRA1A	15	45
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	DRD3	71	52
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	HTR7	51	43
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852215930	EE	On-Demand	Anodyne	PLD2	51	39
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	HTR1A	63	59
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	DRD2	50	56
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	DRD4	51	43
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	HTR2A	51	53
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	HTR2C	26	44
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	ADRA1A	15	45
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	DRD3	71	52
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	HTR7	51	43
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852215931	EE	On-Demand	Anodyne	PLD2	51	39
CCOP(=O)(OCC)[C@H](O)CN1Cc2cccc(C#N)c2C1	ZINC000852215945	DE	On-Demand	Mild	ADAM9	47	33
CCOP(=O)(OCC)[C@@H](O)CN1Cc2cccc(C#N)c2C1	ZINC000852215946	DE	On-Demand	Mild	ADAM9	47	33
O=C(NCCc1ccc(-c2ccccc2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852215981	GG	On-Demand	Anodyne	NPSR1	26	40
O=C(NCCc1ccc(-c2ccccc2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852215982	GG	On-Demand	Anodyne	NPSR1	26	40
CCO[C@@H]1C[C@@H](NC(=O)NCc2c(C)cccc2C)C1	ZINC000852215990	CF	On-Demand	Anodyne	EPHX2	17	41
CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852215993	GD	On-Demand	Anodyne	SIGMAR1	16	40
CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852215993	GD	On-Demand	Anodyne	MBTPS1	41	32
CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852215994	GD	On-Demand	Anodyne	SIGMAR1	16	40
CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852215994	GD	On-Demand	Anodyne	MBTPS1	41	32
Cn1cc(CCNC(=O)NCCS(=O)(=O)CC2CC2)c2ccccc21	ZINC000852216096	FD	On-Demand	Anodyne	NQO2	15	42
Cn1cc(CCNC(=O)NCCS(=O)(=O)CC2CC2)c2ccccc21	ZINC000852216096	FD	On-Demand	Anodyne	MTNR1A	24	42
O=C(NCCS(=O)(=O)CC1CC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852216107	GF	On-Demand	Anodyne	KCNH2	40	38
COc1cccc([C@]2(C)CCN(C(=O)NCCS(=O)(=O)CC3CC3)C2)c1	ZINC000852216112	GE	On-Demand	Anodyne	DRD4	42	32
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852216126	GE	On-Demand	Anodyne	HTR1A	48	59
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852216126	GE	On-Demand	Anodyne	DRD2	30	59
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852216126	GE	On-Demand	Anodyne	DRD4	47	40
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852216126	GE	On-Demand	Anodyne	HTR2A	35	49
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852216126	GE	On-Demand	Anodyne	HTR2C	18	42
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852216126	GE	On-Demand	Anodyne	DRD3	45	48
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852216126	GE	On-Demand	Anodyne	HTR7	33	42
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852216127	GE	On-Demand	Anodyne	HTR1A	48	59
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852216127	GE	On-Demand	Anodyne	DRD2	30	59
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852216127	GE	On-Demand	Anodyne	DRD4	47	40
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852216127	GE	On-Demand	Anodyne	HTR2A	35	49
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852216127	GE	On-Demand	Anodyne	HTR2C	18	42
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852216127	GE	On-Demand	Anodyne	DRD3	45	48
O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852216127	GE	On-Demand	Anodyne	HTR7	33	42
CN(CCN1CCCCC1)CC1=NS(=O)(=O)c2ccccc21	ZINC000852216167	DD	On-Demand	Anodyne	SIGMAR1	16	45
C#C[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852216184	BE	On-Demand	Mild	HRH3	29	50
C#C[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852216184	BE	On-Demand	Mild	L3MBTL3	31	47
C#C[C@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852216184	BE	On-Demand	Mild	KCNJ1	24	57
C#C[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852216185	BE	On-Demand	Mild	HRH3	29	50
C#C[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852216185	BE	On-Demand	Mild	L3MBTL3	31	47
C#C[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1	ZINC000852216185	BE	On-Demand	Mild	KCNJ1	24	57
NC(=O)[C@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216188	DD	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216188	DD	On-Demand	Anodyne	SLC6A1	74	34
NC(=O)[C@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216188	DD	On-Demand	Anodyne	CHRM3	45	43
NC(=O)[C@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216188	DD	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216188	DD	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216189	DD	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216189	DD	On-Demand	Anodyne	SLC6A1	74	34
NC(=O)[C@@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216189	DD	On-Demand	Anodyne	CHRM3	45	43
NC(=O)[C@@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216189	DD	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216189	DD	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216190	DD	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216190	DD	On-Demand	Anodyne	SLC6A1	74	34
NC(=O)[C@@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216190	DD	On-Demand	Anodyne	CHRM3	45	43
NC(=O)[C@@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216190	DD	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@@](O)(CN1CCC[C@@H](OC2CCC2)C1)c1ccccc1	ZINC000852216190	DD	On-Demand	Anodyne	CYP2J2	43	30
NC(=O)[C@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216191	DD	On-Demand	Anodyne	CHRM2	28	43
NC(=O)[C@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216191	DD	On-Demand	Anodyne	SLC6A1	74	34
NC(=O)[C@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216191	DD	On-Demand	Anodyne	CHRM3	45	43
NC(=O)[C@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216191	DD	On-Demand	Anodyne	AMY2	43	29
NC(=O)[C@](O)(CN1CCC[C@H](OC2CCC2)C1)c1ccccc1	ZINC000852216191	DD	On-Demand	Anodyne	CYP2J2	43	30
O=C(NCCS(=O)(=O)CC1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852216200	GD	On-Demand	Anodyne	ACHE	25	47
O=C(NCCS(=O)(=O)CC1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852216200	GD	On-Demand	Anodyne	SIGMAR1	25	43
O=C(NCCS(=O)(=O)CC1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852216200	GD	On-Demand	Anodyne	SSTR5	43	33
O=C(NCCS(=O)(=O)CC1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852216200	GD	On-Demand	Anodyne	CCR3	30	40
O=C(NCCS(=O)(=O)CC1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852216200	GD	On-Demand	Anodyne	CACNA1I	60	40
C#C[C@@H]1CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852216270	BD	On-Demand	Mild	SLC18A3	37	47
C#C[C@H]1CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852216271	BD	On-Demand	Mild	SLC18A3	37	47
O=C1CC[C@@H](CN2CCC(CCc3ccc(F)cc3F)CC2)O1	ZINC000852216274	DG	On-Demand	Anodyne	HTR2A	23	53
O=C1CC[C@H](CN2CCC(CCc3ccc(F)cc3F)CC2)O1	ZINC000852216275	DG	On-Demand	Anodyne	HTR2A	23	53
C#C[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216281	BF	On-Demand	Mild	SLC6A1	128	47
C#C[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216281	BF	On-Demand	Mild	LTA4H	33	46
C#C[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216281	BF	On-Demand	Mild	HRH3	24	46
C#C[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216281	BF	On-Demand	Mild	SIGMAR1	23	44
C#C[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216281	BF	On-Demand	Mild	GBA	21	41
C#C[C@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216281	BF	On-Demand	Mild	GBA2	54	41
C#C[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216282	BF	On-Demand	Mild	SLC6A1	128	47
C#C[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216282	BF	On-Demand	Mild	LTA4H	33	46
C#C[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216282	BF	On-Demand	Mild	HRH3	24	46
C#C[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216282	BF	On-Demand	Mild	SIGMAR1	23	44
C#C[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216282	BF	On-Demand	Mild	GBA	21	41
C#C[C@@H]1CCCN(CCOCc2ccccc2)C1	ZINC000852216282	BF	On-Demand	Mild	GBA2	54	41
COC(=O)N(C)CCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852216373	ED	On-Demand	Anodyne	PDE5A	45	42
COC(=O)N(C)CCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852216373	ED	On-Demand	Anodyne	PDE6A	49	42
C#CCOCCN1C[C@@H](C(=O)OC)[C@H](c2ccc(Cl)cc2)C1	ZINC000852216375	DE	On-Demand	Mild	SLC6A4	35	53
C#CCOCCN1C[C@@H](C(=O)OC)[C@H](c2ccc(Cl)cc2)C1	ZINC000852216375	DE	On-Demand	Mild	SLC6A3	60	53
CC(C)(C)OC(=O)N1CC2(CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852216378	DE	On-Demand	Anodyne	GPR119	37	41
COC(=O)[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216382	FF	On-Demand	Anodyne	SLC6A4	27	49
COC(=O)[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216382	FF	On-Demand	Anodyne	SLC6A3	47	49
COC(=O)[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216383	FF	On-Demand	Anodyne	SLC6A4	27	49
COC(=O)[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216383	FF	On-Demand	Anodyne	SLC6A3	47	49
CC(C)(C)OC(=O)N1CC2(CCN(C[C@H](O)c3ccccn3)CC2)C1	ZINC000852216394	EE	On-Demand	Anodyne	GPR119	23	43
CC(C)(C)OC(=O)N1CC2(CCN(C[C@@H](O)c3ccccn3)CC2)C1	ZINC000852216395	EE	On-Demand	Anodyne	GPR119	23	43
COC(=O)[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216414	FG	On-Demand	Anodyne	SLC6A4	32	54
COC(=O)[C@@H]1CN(CC[C@@H]2COC(C)(C)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216414	FG	On-Demand	Anodyne	SLC6A3	54	54
COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216415	FG	On-Demand	Anodyne	SLC6A4	32	54
COC(=O)[C@@H]1CN(CC[C@H]2COC(C)(C)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216415	FG	On-Demand	Anodyne	SLC6A3	54	54
CC(C)(C)OC(=O)N1CC2(CCN(CCc3ccc(C#N)cc3)CC2)C1	ZINC000852216469	FG	On-Demand	Mild	GPR119	18	44
CC(C)(C)OC(=O)N1CC2(CCN(CCc3ccc(C#N)cc3)CC2)C1	ZINC000852216469	FG	On-Demand	Mild	KCNJ1	36	50
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852216477	EH	On-Demand	Anodyne	SIGMAR1	15	40
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852216477	EH	On-Demand	Anodyne	REN	37	40
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852216477	EH	On-Demand	Anodyne	GBA2	52	39
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852216477	EH	On-Demand	Anodyne	FPR1	41	34
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852216478	EH	On-Demand	Anodyne	SIGMAR1	15	40
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852216478	EH	On-Demand	Anodyne	REN	37	40
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852216478	EH	On-Demand	Anodyne	GBA2	52	39
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCOCc1ccccc1	ZINC000852216478	EH	On-Demand	Anodyne	FPR1	41	34
C#C[C@@H]1CCCN(CCC=C(C)C)C1	ZINC000852216487	AF	On-Demand	Mild	SLC6A1	50	38
C#C[C@H]1CCCN(CCC=C(C)C)C1	ZINC000852216488	AF	On-Demand	Mild	SLC6A1	50	38
C#C[C@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CCOCC1	ZINC000852216511	EF	On-Demand	Mild	PDE5A	46	41
C#C[C@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CCOCC1	ZINC000852216511	EF	On-Demand	Mild	PDE6A	43	35
C#C[C@@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CCOCC1	ZINC000852216512	EF	On-Demand	Mild	PDE5A	46	41
C#C[C@@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CCOCC1	ZINC000852216512	EF	On-Demand	Mild	PDE6A	43	35
O=C(NCc1csc(-c2ccccc2)n1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852216527	FF	On-Demand	Anodyne	NPSR1	26	40
O=C(NCc1csc(-c2ccccc2)n1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852216528	FF	On-Demand	Anodyne	NPSR1	26	40
CC(C)(C)OC(=O)N1CC2(CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852216529	EG	On-Demand	Anodyne	HRH2	22	43
CC(C)(C)OC(=O)N1CC2(CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852216529	EG	On-Demand	Anodyne	FAAH	18	41
CC(C)(C)OC(=O)N1CC2(CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852216529	EG	On-Demand	Anodyne	MCHR2	50	32
CC(C)(C)OC(=O)N1CC2(CCN(Cc3cccc(N)c3)CC2)C1	ZINC000852216529	EG	On-Demand	Anodyne	CCR8	50	40
CC[C@@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CC1	ZINC000852216530	CG	On-Demand	Anodyne	PDE5A	51	41
CC[C@@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CC1	ZINC000852216530	CG	On-Demand	Anodyne	PDE6A	47	37
CC(C)(C)OC(=O)N1CC2(CCN(CC(=O)Nc3cnccn3)CC2)C1	ZINC000852216551	FD	On-Demand	Anodyne	GPR119	18	44
CC(C)(C)OC(=O)N1CC2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1	ZINC000852216663	GH	On-Demand	Bother	GPR119	17	41
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216678	EG	On-Demand	Anodyne	SLC6A4	31	48
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216678	EG	On-Demand	Anodyne	SLC6A3	55	48
COC(=O)[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216678	EG	On-Demand	Anodyne	MC4R	29	42
CC(C)(C)OC(=O)N1CC2(CCN(CCc3nsc4ccccc34)CC2)C1	ZINC000852216683	GI	On-Demand	Anodyne	HTR1A	17	40
CC(C)(C)OC(=O)N1CC2(CCN(CCc3nsc4ccccc34)CC2)C1	ZINC000852216683	GI	On-Demand	Anodyne	DRD2	23	40
CC(C)(C)OC(=O)N1CC2(CCN([C@@H](C#N)c3ccccc3)CC2)C1	ZINC000852216710	EH	On-Demand	Mild	PTAFR	40	44
CC(C)(C)OC(=O)N1CC2(CCN([C@H](C#N)c3ccccc3)CC2)C1	ZINC000852216711	EH	On-Demand	Mild	PTAFR	40	44
COCCN(CCF)C(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852216742	DE	On-Demand	Anodyne	PDE5A	47	41
COCCN(CCF)C(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852216742	DE	On-Demand	Anodyne	PDE6A	51	39
COC(=O)[C@@H]1CN(Cc2cnon2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216743	DE	On-Demand	Anodyne	SLC6A4	28	49
COC(=O)[C@@H]1CN(Cc2cnon2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216743	DE	On-Demand	Anodyne	SLC6A3	49	49
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852216754	GF	On-Demand	Anodyne	PDE5A	53	46
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852216754	GF	On-Demand	Anodyne	PDE6A	44	33
COC(=O)[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216755	FF	On-Demand	Anodyne	SLC6A4	35	47
COC(=O)[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216755	FF	On-Demand	Anodyne	SLC6A3	66	47
COC(=O)[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216756	FF	On-Demand	Anodyne	SLC6A4	35	47
COC(=O)[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216756	FF	On-Demand	Anodyne	SLC6A3	66	47
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(OC)c(Cl)c2)C1	ZINC000852216761	EE	On-Demand	Anodyne	PDE5A	48	39
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(OC)c(Cl)c2)C1	ZINC000852216761	EE	On-Demand	Anodyne	PDE6A	48	39
COCc1csc(CNC(=O)NCc2ccc(OC)c(Cl)c2)c1	ZINC000852216850	FH	On-Demand	Anodyne	PDE5A	44	39
COCc1csc(CNC(=O)NCc2ccc(OC)c(Cl)c2)c1	ZINC000852216850	FH	On-Demand	Anodyne	PDE6A	45	35
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccc(Cl)cc1	ZINC000852216851	EF	On-Demand	Anodyne	SLC6A2	18	49
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccc(Cl)cc1	ZINC000852216851	EF	On-Demand	Anodyne	SLC6A4	50	55
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccc(Cl)cc1	ZINC000852216851	EF	On-Demand	Anodyne	SLC6A3	94	55
COC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1c1ccc(Cl)cc1	ZINC000852216851	EF	On-Demand	Anodyne	MC4R	39	42
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216879	EG	On-Demand	Anodyne	SLC6A2	22	53
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216879	EG	On-Demand	Anodyne	SLC6A4	59	56
COC(=O)[C@H]1CN([C@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216879	EG	On-Demand	Anodyne	SLC6A3	107	56
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216880	EG	On-Demand	Anodyne	SLC6A2	22	53
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216880	EG	On-Demand	Anodyne	SLC6A4	59	56
COC(=O)[C@H]1CN([C@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216880	EG	On-Demand	Anodyne	SLC6A3	107	56
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216881	EG	On-Demand	Anodyne	SLC6A2	22	53
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216881	EG	On-Demand	Anodyne	SLC6A4	59	56
COC(=O)[C@H]1CN([C@@H]2CC[C@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216881	EG	On-Demand	Anodyne	SLC6A3	107	56
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216882	EG	On-Demand	Anodyne	SLC6A2	22	53
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216882	EG	On-Demand	Anodyne	SLC6A4	59	56
COC(=O)[C@H]1CN([C@@H]2CC[C@@H](OC)C2)C[C@@H]1c1ccc(Cl)cc1	ZINC000852216882	EG	On-Demand	Anodyne	SLC6A3	107	56
COC[C@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CCOCC1	ZINC000852216889	FF	On-Demand	Anodyne	PDE5A	46	40
COC[C@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CCOCC1	ZINC000852216889	FF	On-Demand	Anodyne	PDE6A	43	34
COC[C@@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CCOCC1	ZINC000852216890	FF	On-Demand	Anodyne	PDE5A	46	40
COC[C@@H](NC(=O)NCc1ccc(OC)c(Cl)c1)C1CCOCC1	ZINC000852216890	FF	On-Demand	Anodyne	PDE6A	43	34
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216907	EE	On-Demand	Anodyne	SLC6A4	40	52
COC(=O)[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216907	EE	On-Demand	Anodyne	SLC6A3	71	52
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216908	EE	On-Demand	Anodyne	SLC6A4	40	52
COC(=O)[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1c1ccc(Cl)cc1	ZINC000852216908	EE	On-Demand	Anodyne	SLC6A3	71	52
C=CCOCCCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852216909	DF	On-Demand	Mild	PDE5A	44	42
C=CCOCCCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852216909	DF	On-Demand	Mild	PDE6A	44	34
C#C[C@@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852216919	AD	On-Demand	Mild	SLC18A3	32	43
C#C[C@H]1CCCN([C@@H]2CCC[C@H]2O)C1	ZINC000852216920	AD	On-Demand	Mild	SLC18A3	32	43
CC(C)(C)OC(=O)N1CC2(CCN(CCOCc3ccccc3)CC2)C1	ZINC000852216957	FH	On-Demand	Anodyne	SIGMAR1	21	44
CC(C)(C)OC(=O)N1CC2(CCN(CCOCc3ccccc3)CC2)C1	ZINC000852216957	FH	On-Demand	Anodyne	SLC12A5	54	34
CNC(=O)CC1(CNC(=O)NCc2ccc(OC)c(Cl)c2)CCCCC1	ZINC000852216990	GG	On-Demand	Anodyne	PDE5A	46	41
CNC(=O)CC1(CNC(=O)NCc2ccc(OC)c(Cl)c2)CCCCC1	ZINC000852216990	GG	On-Demand	Anodyne	PDE6A	44	34
C#C[C@@H]1CCCN(Cc2cccc(OC)c2Cl)C1	ZINC000852216997	CG	On-Demand	Mild	MBTPS1	40	34
C#C[C@H]1CCCN(Cc2cccc(OC)c2Cl)C1	ZINC000852216998	CG	On-Demand	Mild	MBTPS1	40	34
C=CCCSCCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852217015	EG	On-Demand	Mild	PDE5A	42	39
C=CCCSCCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852217015	EG	On-Demand	Mild	PDE6A	44	33
C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc(C#N)cc1	ZINC000852217053	EG	On-Demand	Mild	HRH3	27	44
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCc1ccc(C#N)cc1	ZINC000852217054	EG	On-Demand	Mild	HRH3	27	44
C=CCCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852217057	CF	On-Demand	Mild	PDE5A	46	42
C=CCCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852217057	CF	On-Demand	Mild	TRPV1	16	43
C=CCCNC(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852217057	CF	On-Demand	Mild	PDE6A	47	36
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(OC)c(Cl)c2)C1	ZINC000852217070	DF	On-Demand	Anodyne	PDE5A	48	40
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(OC)c(Cl)c2)C1	ZINC000852217070	DF	On-Demand	Anodyne	PDE6A	48	36
COCCN(C[C@H](O)C(F)(F)F)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852217086	FC	On-Demand	Anodyne	AMY2	58	38
COCCN(C[C@H](O)C(F)(F)F)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852217087	FC	On-Demand	Anodyne	AMY2	58	38
COCCN(C[C@@H](O)C(F)(F)F)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852217088	FC	On-Demand	Anodyne	AMY2	58	38
COCCN(C[C@@H](O)C(F)(F)F)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852217089	FC	On-Demand	Anodyne	AMY2	58	38
CCSC1(CNC(=O)NCc2ccc(OC)c(Cl)c2)CC1	ZINC000852217162	EG	On-Demand	Anodyne	PDE5A	49	40
CCSC1(CNC(=O)NCc2ccc(OC)c(Cl)c2)CC1	ZINC000852217162	EG	On-Demand	Anodyne	PDE6A	47	36
O=C(CN1CCCCC[C@@H]1CO)Nc1ccc(Cl)nc1	ZINC000852217227	CD	On-Demand	Anodyne	AURKC	19	43
O=C(CN1CCCCC[C@H]1CO)Nc1ccc(Cl)nc1	ZINC000852217228	CD	On-Demand	Anodyne	AURKC	19	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	PDE5A	51	46
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	DRD4	40	33
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	HTR4	55	37
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	SIGMAR1	17	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	MTNR1A	18	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	MTNR1B	19	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	PDE6A	41	33
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	PDK1	47	35
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000852217233	GG	On-Demand	Clean	MCHR1	24	48
COC[C@@H](CCNC(=O)NCc1ccc(OC)c(Cl)c1)OC	ZINC000852217246	EE	On-Demand	Anodyne	PDE5A	44	39
COC[C@@H](CCNC(=O)NCc1ccc(OC)c(Cl)c1)OC	ZINC000852217246	EE	On-Demand	Anodyne	PDE6A	47	36
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852217263	DH	On-Demand	Mild	PDE5A	51	42
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852217263	DH	On-Demand	Mild	HTR4	46	39
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(OC)c(Cl)c1	ZINC000852217263	DH	On-Demand	Mild	PDE6A	45	35
NC(=O)[C@@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217264	CC	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217264	CC	On-Demand	Anodyne	CHRM1	19	40
NC(=O)[C@@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217264	CC	On-Demand	Anodyne	CHRM4	23	40
NC(=O)[C@@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217264	CC	On-Demand	Anodyne	CHRM5	18	40
NC(=O)[C@@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217264	CC	On-Demand	Anodyne	CHRM3	42	40
NC(=O)[C@@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217264	CC	On-Demand	Anodyne	AMY2	47	32
NC(=O)[C@@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217265	CC	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217265	CC	On-Demand	Anodyne	CHRM1	19	40
NC(=O)[C@@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217265	CC	On-Demand	Anodyne	CHRM4	23	40
NC(=O)[C@@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217265	CC	On-Demand	Anodyne	CHRM5	18	40
NC(=O)[C@@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217265	CC	On-Demand	Anodyne	CHRM3	42	40
NC(=O)[C@@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217265	CC	On-Demand	Anodyne	AMY2	47	32
NC(=O)[C@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217266	CC	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217266	CC	On-Demand	Anodyne	CHRM1	19	40
NC(=O)[C@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217266	CC	On-Demand	Anodyne	CHRM4	23	40
NC(=O)[C@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217266	CC	On-Demand	Anodyne	CHRM5	18	40
NC(=O)[C@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217266	CC	On-Demand	Anodyne	CHRM3	42	40
NC(=O)[C@](O)(CN1CCCCC[C@H]1CO)c1ccccc1	ZINC000852217266	CC	On-Demand	Anodyne	AMY2	47	32
NC(=O)[C@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217267	CC	On-Demand	Anodyne	CHRM2	22	40
NC(=O)[C@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217267	CC	On-Demand	Anodyne	CHRM1	19	40
NC(=O)[C@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217267	CC	On-Demand	Anodyne	CHRM4	23	40
NC(=O)[C@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217267	CC	On-Demand	Anodyne	CHRM5	18	40
NC(=O)[C@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217267	CC	On-Demand	Anodyne	CHRM3	42	40
NC(=O)[C@](O)(CN1CCCCC[C@@H]1CO)c1ccccc1	ZINC000852217267	CC	On-Demand	Anodyne	AMY2	47	32
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@@H]1c1ccc(Cl)cc1	ZINC000852217293	EF	On-Demand	Anodyne	SLC6A2	17	49
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@@H]1c1ccc(Cl)cc1	ZINC000852217293	EF	On-Demand	Anodyne	SLC6A4	48	58
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@@H]1c1ccc(Cl)cc1	ZINC000852217293	EF	On-Demand	Anodyne	SLC6A3	86	58
COC(=O)[C@H]1CN(CCC(OC)OC)C[C@@H]1c1ccc(Cl)cc1	ZINC000852217293	EF	On-Demand	Anodyne	MC4R	36	40
CNS(=O)(=O)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852217312	GE	On-Demand	Anodyne	SFRP1	53	32
CNS(=O)(=O)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852217313	GE	On-Demand	Anodyne	SFRP1	53	32
CNS(=O)(=O)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1	ZINC000852217314	GE	On-Demand	Anodyne	SFRP1	53	32
CNS(=O)(=O)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1	ZINC000852217315	GE	On-Demand	Anodyne	SFRP1	53	32
C#C[C@@H]1CCCN([C@H](C(=O)OC)c2ccc(Cl)cc2)C1	ZINC000852217316	CF	On-Demand	Mild	SLC6A3	25	45
C#C[C@@H]1CCCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)C1	ZINC000852217317	CF	On-Demand	Mild	SLC6A3	25	45
C#C[C@H]1CCCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)C1	ZINC000852217318	CF	On-Demand	Mild	SLC6A3	25	45
C#C[C@H]1CCCN([C@H](C(=O)OC)c2ccc(Cl)cc2)C1	ZINC000852217319	CF	On-Demand	Mild	SLC6A3	25	45
COC(=O)[C@@]12CCCC[C@@H]1CN(C[C@](O)(C(N)=O)c1ccccc1)C2	ZINC000852217325	ED	On-Demand	Anodyne	CHRM3	45	37
COC(=O)[C@@]12CCCC[C@@H]1CN(C[C@](O)(C(N)=O)c1ccccc1)C2	ZINC000852217325	ED	On-Demand	Anodyne	AMY2	43	30
COC(=O)[C@@]12CCCC[C@@H]1CN(C[C@@](O)(C(N)=O)c1ccccc1)C2	ZINC000852217326	ED	On-Demand	Anodyne	CHRM3	45	37
COC(=O)[C@@]12CCCC[C@@H]1CN(C[C@@](O)(C(N)=O)c1ccccc1)C2	ZINC000852217326	ED	On-Demand	Anodyne	AMY2	43	30
O=C(NOCC(F)(F)F)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852217380	DE	On-Demand	Anodyne	SLC6A5	17	40
O=C(NOCC(F)(F)F)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852217381	DE	On-Demand	Anodyne	SLC6A5	17	40
O=C(NOCC(F)(F)F)N1CCC(c2ccon2)CC1	ZINC000852217386	CE	On-Demand	Anodyne	ETHR	67	36
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852217411	FG	On-Demand	Anodyne	CNR1	40	30
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852217411	FG	On-Demand	Anodyne	P2RY12	19	40
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852217411	FG	On-Demand	Anodyne	MC4R	85	45
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852217411	FG	On-Demand	Anodyne	NPY2R	51	44
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852217411	FG	On-Demand	Anodyne	MC3R	20	42
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852217411	FG	On-Demand	Anodyne	MC5R	24	42
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852217411	FG	On-Demand	Anodyne	RBP4	23	47
COc1ccc(N2CC[C@H](NC(=O)NOCC(F)(F)F)C2)cc1	ZINC000852217423	EE	On-Demand	Clean	MCHR1	18	43
CCOP(=O)(OCC)[C@H](O)CN1CC(=O)Nc2ccccc2C1	ZINC000852217446	EE	On-Demand	Anodyne	ADAM9	54	38
CCOP(=O)(OCC)[C@@H](O)CN1CC(=O)Nc2ccccc2C1	ZINC000852217447	EE	On-Demand	Anodyne	ADAM9	54	38
O=C(NCc1cccnc1N1CCCC1)NOCC(F)(F)F	ZINC000852217449	DD	On-Demand	Anodyne	TRPV1	34	44
O=C(NCc1cccnc1N1CCCC1)NOCC(F)(F)F	ZINC000852217449	DD	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NOCC(F)(F)F	ZINC000852217449	DD	On-Demand	Anodyne	SCN10A	34	47
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852217455	FG	On-Demand	Anodyne	P2RY12	20	41
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852217455	FG	On-Demand	Anodyne	CCR1	28	48
O=C(NOCC(F)(F)F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852217455	FG	On-Demand	Anodyne	BCL2A1	50	34
CC(C)c1ccc2c(c1)CN(C(=O)NOCC(F)(F)F)CC2	ZINC000852217507	DG	On-Demand	Anodyne	MAPK1	49	37
O=C(NOCC(F)(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852217591	EG	On-Demand	Anodyne	KCNH2	45	43
O=C(NOCC(F)(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852217591	EG	On-Demand	Anodyne	EPHX2	18	41
C[C@@H]1CN(Cc2cccc(F)n2)C[C@H]1C(=O)N1CCOCC1	ZINC000852217592	DD	On-Demand	Anodyne	PDE8B	46	31
O=C(NOCC(F)(F)F)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852217601	GI	On-Demand	Anodyne	BDKRB1	55	38
O=C(NOCC(F)(F)F)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852217602	GI	On-Demand	Anodyne	BDKRB1	55	38
O=C(NOCC(F)(F)F)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852217612	FG	On-Demand	Anodyne	P2RY14	40	35
O=C(NNc1ccc(Cl)cn1)NOCC(F)(F)F	ZINC000852217628	CD	On-Demand	Reactive	F10	23	41
CCC(CC)(CNC(=O)NOCC(F)(F)F)c1ccc(F)cc1	ZINC000852217637	EH	On-Demand	Anodyne	CACNA1G	41	47
COc1cccc([C@]2(C)CCN(C(=O)NOCC(F)(F)F)C2)c1	ZINC000852217667	EF	On-Demand	Anodyne	DRD4	40	31
CCOP(=O)(OCC)[C@H](O)CN1Cc2cc(F)c(F)cc2C1	ZINC000852217688	EF	On-Demand	Anodyne	ADAM9	42	35
CCOP(=O)(OCC)[C@@H](O)CN1Cc2cc(F)c(F)cc2C1	ZINC000852217689	EF	On-Demand	Anodyne	ADAM9	42	35
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1	ZINC000852217690	EI	On-Demand	Mild	FAAH	21	44
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1	ZINC000852217691	EI	On-Demand	Mild	FAAH	21	44
NS(=O)(=O)c1cc(CNC(=O)NOCC(F)(F)F)ccc1F	ZINC000852217694	EC	On-Demand	Anodyne	CA2	24	40
NS(=O)(=O)c1cc(CNC(=O)NOCC(F)(F)F)ccc1F	ZINC000852217694	EC	On-Demand	Anodyne	CA1	24	40
NS(=O)(=O)c1cc(CNC(=O)NOCC(F)(F)F)ccc1F	ZINC000852217694	EC	On-Demand	Anodyne	CA4	24	40
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCC(F)(F)F	ZINC000852217707	DE	On-Demand	Anodyne	DRD2	15	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCC(F)(F)F	ZINC000852217707	DE	On-Demand	Anodyne	SIGMAR1	27	42
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCC(F)(F)F	ZINC000852217708	DE	On-Demand	Anodyne	DRD2	15	41
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCC(F)(F)F	ZINC000852217708	DE	On-Demand	Anodyne	SIGMAR1	27	42
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NOCC(F)(F)F	ZINC000852217735	FG	On-Demand	Anodyne	MDM2	58	34
O=C(NOCC(F)(F)F)N1CC[C@H]2C[C@H]2C1	ZINC000852217764	BD	On-Demand	Anodyne	RBP4	46	37
O=C(NOCC(F)(F)F)N1CC[C@H]2C[C@@H]2C1	ZINC000852217765	BD	On-Demand	Anodyne	RBP4	46	37
O=C(NOCC(F)(F)F)N1CC[C@@H]2C[C@@H]2C1	ZINC000852217766	BD	On-Demand	Anodyne	RBP4	46	37
O=C(NOCC(F)(F)F)N1CC[C@@H]2C[C@H]2C1	ZINC000852217767	BD	On-Demand	Anodyne	RBP4	46	37
Cn1cc(CCNC(=O)NOCC(F)(F)F)c2ccccc21	ZINC000852217780	DF	On-Demand	Anodyne	MTNR1A	16	44
O=C(NCCc1ccnc2ccccc12)NOCC(F)(F)F	ZINC000852217816	DF	On-Demand	Anodyne	MTNR1A	20	43
C[C@@H]1CN(C[C@H](O)c2ccccn2)C[C@H]1C(=O)N1CCOCC1	ZINC000852217833	DC	On-Demand	Anodyne	SSTR3	24	40
C[C@@H]1CN(C[C@@H](O)c2ccccn2)C[C@H]1C(=O)N1CCOCC1	ZINC000852217834	DC	On-Demand	Anodyne	SSTR3	24	40
CC(C)(C)OC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCC1	ZINC000852217880	ED	On-Demand	Anodyne	ACE	40	34
CC(C)(C)OC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCC1	ZINC000852217880	ED	On-Demand	Anodyne	AMY2	63	37
CC(C)(C)OC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCC1	ZINC000852217881	ED	On-Demand	Anodyne	ACE	40	34
CC(C)(C)OC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCC1	ZINC000852217881	ED	On-Demand	Anodyne	AMY2	63	37
CCn1ncc(CN[C@@H](Cc2ccccc2)c2ncco2)n1	ZINC000852217897	CE	On-Demand	Anodyne	GPR142	42	32
CCn1ncc(CN[C@H](Cc2ccccc2)c2ncco2)n1	ZINC000852217898	CE	On-Demand	Anodyne	GPR142	42	32
O=C(NCC(F)(F)c1cccc(F)c1)NOCC(F)(F)F	ZINC000852217973	DF	On-Demand	Anodyne	PDS	42	37
O=C(NCC1CCN(CC2CC2)CC1)NOCC(F)(F)F	ZINC000852217993	DD	On-Demand	Anodyne	CACNA1I	57	40
CCCCC[C@@H](C)NC(=O)CN1C[C@@H]2CCCC[C@@H]21	ZINC000852218049	CF	On-Demand	Anodyne	NOD1	41	33
CNS(=O)(=O)c1ccc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)cc1	ZINC000852218066	GD	On-Demand	Anodyne	SFRP1	52	33
C[C@@H]1CN(CC(=O)Nc2ccc(Cl)nc2)C[C@H]1C(=O)N1CCOCC1	ZINC000852218146	FD	On-Demand	Anodyne	MTOR	43	34
COC(=O)c1ccc(CNC(=O)NOCC(F)(F)F)c(F)c1	ZINC000852218166	DD	On-Demand	Anodyne	BDKRB1	26	41
O=C(NOCC(F)(F)F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852218195	EG	On-Demand	Anodyne	EPHX2	20	61
O=C(NOCC(F)(F)F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852218195	EG	On-Demand	Anodyne	TRPM8	45	64
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)(F)F	ZINC000852218223	EE	On-Demand	Anodyne	ACHE	36	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)(F)F	ZINC000852218223	EE	On-Demand	Anodyne	SIGMAR1	29	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)(F)F	ZINC000852218223	EE	On-Demand	Anodyne	CCR3	29	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)(F)F	ZINC000852218223	EE	On-Demand	Anodyne	MCHR1	29	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)(F)F	ZINC000852218223	EE	On-Demand	Anodyne	CACNA1I	70	45
O=C(NOCC(F)(F)F)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852218231	FD	On-Demand	Anodyne	RBP4	42	36
O=C(NOCC(F)(F)F)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852218240	DE	On-Demand	Anodyne	EPHX2	44	41
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCC(F)(F)F	ZINC000852218241	FF	On-Demand	Anodyne	CACNA1I	59	37
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCC(F)(F)F	ZINC000852218241	FF	On-Demand	Anodyne	LIPG	45	35
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCC(F)(F)F	ZINC000852218242	FF	On-Demand	Anodyne	CACNA1I	59	37
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCC(F)(F)F	ZINC000852218242	FF	On-Demand	Anodyne	LIPG	45	35
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)N1CCOCC1	ZINC000852218332	FB	On-Demand	Anodyne	CTSS	17	40
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@H]1C(=O)N1CCOCC1	ZINC000852218333	FB	On-Demand	Anodyne	CTSS	17	40
CCOC(=O)[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218339	FD	On-Demand	Anodyne	CHRM2	20	41
CCOC(=O)[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218339	FD	On-Demand	Anodyne	CHRM1	19	41
CCOC(=O)[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218339	FD	On-Demand	Anodyne	CHRM4	27	41
CCOC(=O)[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218339	FD	On-Demand	Anodyne	CHRM3	29	41
CCOC(=O)[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218339	FD	On-Demand	Anodyne	AMY2	66	41
CCOC(=O)[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218340	FD	On-Demand	Anodyne	CHRM2	20	41
CCOC(=O)[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218340	FD	On-Demand	Anodyne	CHRM1	19	41
CCOC(=O)[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218340	FD	On-Demand	Anodyne	CHRM4	27	41
CCOC(=O)[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218340	FD	On-Demand	Anodyne	CHRM3	29	41
CCOC(=O)[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCCCCC1	ZINC000852218340	FD	On-Demand	Anodyne	AMY2	66	41
O=C(NOCC(F)(F)F)N1CCC(c2ccco2)CC1	ZINC000852218347	CF	On-Demand	Anodyne	RBP4	42	42
O=C(NCc1ccc(Cl)c(Cl)c1)NOCC(F)(F)F	ZINC000852218358	DG	On-Demand	Anodyne	DNAE	48	33
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NOCC(F)(F)F)CCC2	ZINC000852218360	FF	On-Demand	Anodyne	NQO2	22	48
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NOCC(F)(F)F)CCC2	ZINC000852218361	FF	On-Demand	Anodyne	NQO2	22	48
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)[S@](C)=O)C2)cc1	ZINC000852218414	FD	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)[S@](C)=O)C2)cc1	ZINC000852218414	FD	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)[S@@](C)=O)C2)cc1	ZINC000852218415	FD	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)[S@@](C)=O)C2)cc1	ZINC000852218415	FD	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)[S@@](C)=O)C2)cc1	ZINC000852218416	FD	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)[S@@](C)=O)C2)cc1	ZINC000852218416	FD	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)C2)cc1	ZINC000852218417	FD	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)C2)cc1	ZINC000852218417	FD	On-Demand	Clean	MTNR1B	16	45
CC(=O)c1ccc(N2CCN(C(=O)CN3C[C@@H]4CCCC[C@@H]43)CC2)c(F)c1	ZINC000852218454	FF	On-Demand	Anodyne	SLC6A9	24	48
O[C@@H](CN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852218496	GH	On-Demand	Anodyne	HTR1A	16	42
O[C@@H](CN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852218496	GH	On-Demand	Anodyne	DRD2	17	43
O[C@@H](CN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852218496	GH	On-Demand	Anodyne	DRD4	36	43
O[C@H](CN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852218497	GH	On-Demand	Anodyne	HTR1A	16	42
O[C@H](CN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852218497	GH	On-Demand	Anodyne	DRD2	17	43
O[C@H](CN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852218497	GH	On-Demand	Anodyne	DRD4	36	43
CCOC(=O)N1CCC(NC(=O)CN2C[C@@H]3CCCC[C@@H]32)CC1	ZINC000852218508	DD	On-Demand	Anodyne	EPHX2	20	40
CCOC(=O)N1CCC(NC(=O)CN2C[C@@H]3CCCC[C@@H]32)CC1	ZINC000852218508	DD	On-Demand	Anodyne	CCR8	22	44
CCCOc1cccc(CCNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)c1	ZINC000852218565	GD	On-Demand	Reactive	HRH2	35	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3cnc(C)s3)C2)cc1	ZINC000852218602	FF	On-Demand	Clean	MTNR1A	17	41
CCOc1ccc(C=NO[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1	ZINC000852218607	GI	On-Demand	Mild	FAAH	20	44
CCOc1ccc(C=NO[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1	ZINC000852218608	GI	On-Demand	Mild	FAAH	20	44
CC(C)(C)OC(=O)N1CCN(CCN2C[C@@H]3CCCC[C@@H]32)CC1	ZINC000852218620	DE	On-Demand	Anodyne	GPR119	37	41
O=C(NOCC(F)(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852218629	FF	On-Demand	Anodyne	AMY2	43	30
O=C(NOCC(F)(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852218629	FF	On-Demand	Anodyne	SSTR3	37	49
O=C(NOCC(F)(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852218629	FF	On-Demand	Anodyne	CCR2	20	45
CCCOc1cccc(CCNC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852218690	FE	On-Demand	Anodyne	MTNR1A	48	44
CCCOc1cccc(CCNC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852218690	FE	On-Demand	Anodyne	MTNR1B	40	44
CCCOc1cccc(CCNC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852218690	FE	On-Demand	Anodyne	CRTM	61	37
CCCOc1cccc(CCNC(=O)N(C)CCN(C)C(=O)OC)c1	ZINC000852218690	FE	On-Demand	Anodyne	PDS	48	35
CC(C)(C)OC(=O)N1CCO[C@H](CNC2(c3ccc(C#N)cc3)CCC2)C1	ZINC000852218710	FG	On-Demand	Mild	GPR119	19	45
CC(C)(C)OC(=O)N1CCO[C@@H](CNC2(c3ccc(C#N)cc3)CCC2)C1	ZINC000852218711	FG	On-Demand	Mild	GPR119	19	45
O=C(NC[C@@H](O)c1cccc2ccccc12)NOCC(F)(F)F	ZINC000852218712	EF	On-Demand	Anodyne	KCNJ11	52	31
O=C(NC[C@H](O)c1cccc2ccccc12)NOCC(F)(F)F	ZINC000852218713	EF	On-Demand	Anodyne	KCNJ11	52	31
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCC(F)(F)F)C1	ZINC000852218729	DE	On-Demand	Anodyne	AMY2	46	34
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCC(F)(F)F)C1	ZINC000852218729	DE	On-Demand	Anodyne	RBP4	83	39
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCC(F)(F)F)C1	ZINC000852218729	DE	On-Demand	Anodyne	SFRP1	106	38
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCC(F)(F)F)C1	ZINC000852218729	DE	On-Demand	Anodyne	WNT3	77	38
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCC(F)(F)F)C1	ZINC000852218730	DE	On-Demand	Anodyne	AMY2	46	34
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCC(F)(F)F)C1	ZINC000852218730	DE	On-Demand	Anodyne	RBP4	83	39
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCC(F)(F)F)C1	ZINC000852218730	DE	On-Demand	Anodyne	SFRP1	106	38
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCC(F)(F)F)C1	ZINC000852218730	DE	On-Demand	Anodyne	WNT3	77	38
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@@H]34)C2)cc1	ZINC000852218766	GG	On-Demand	Clean	MTNR1A	26	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@@H]34)C2)cc1	ZINC000852218766	GG	On-Demand	Clean	MTNR1B	28	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3[C@H]4Cc5ccccc5[C@H]43)C2)cc1	ZINC000852218767	GG	On-Demand	Clean	MTNR1A	26	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3[C@H]4Cc5ccccc5[C@H]43)C2)cc1	ZINC000852218767	GG	On-Demand	Clean	MTNR1B	28	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3[C@H]4c5ccccc5C[C@H]43)C2)cc1	ZINC000852218768	GG	On-Demand	Clean	MTNR1A	26	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3[C@H]4c5ccccc5C[C@H]43)C2)cc1	ZINC000852218768	GG	On-Demand	Clean	MTNR1B	28	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3[C@H]4Cc5ccccc5[C@@H]43)C2)cc1	ZINC000852218769	GG	On-Demand	Clean	MTNR1A	26	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3[C@H]4Cc5ccccc5[C@@H]43)C2)cc1	ZINC000852218769	GG	On-Demand	Clean	MTNR1B	28	45
c1ccc2[nH]c(CN3C[C@@H]4CCCC[C@@H]43)nc2c1	ZINC000852218792	BF	On-Demand	Anodyne	KCNN3	35	40
Cc1ccc(NC(=O)CON=Cc2ccccc2C)cc1	ZINC000852218838	CG	On-Demand	Mild	SLC1A2	21	40
CCCOc1cccc(CCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218873	GG	On-Demand	Anodyne	ADRB2	18	41
CCCOc1cccc(CCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218873	GG	On-Demand	Anodyne	ADRB1	32	42
CCCOc1cccc(CCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218873	GG	On-Demand	Anodyne	HRH2	27	43
CCCOc1cccc(CCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218873	GG	On-Demand	Anodyne	ADRB3	29	42
CCCOc1cccc(CCNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218873	GG	On-Demand	Anodyne	PDS	70	39
CCCOc1cccc(CCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218874	GG	On-Demand	Anodyne	ADRB2	18	41
CCCOc1cccc(CCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218874	GG	On-Demand	Anodyne	ADRB1	32	42
CCCOc1cccc(CCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218874	GG	On-Demand	Anodyne	HRH2	27	43
CCCOc1cccc(CCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218874	GG	On-Demand	Anodyne	ADRB3	29	42
CCCOc1cccc(CCNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852218874	GG	On-Demand	Anodyne	PDS	70	39
Cc1ncc(CCNC(=O)N2CCc3ccc(C(C)C)cc3C2)s1	ZINC000852218911	EH	On-Demand	Anodyne	MAPK1	49	36
C#C[C@H](NC(=O)NCCc1cccc(OCCC)c1)C1CCOCC1	ZINC000852218934	EF	On-Demand	Mild	HRH2	27	43
C#C[C@@H](NC(=O)NCCc1cccc(OCCC)c1)C1CCOCC1	ZINC000852218935	EF	On-Demand	Mild	HRH2	27	43
O=C(NCCc1cc2ccccc2[nH]1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852218936	ED	On-Demand	Anodyne	PLD1	45	34
O=C(NCCc1cc2ccccc2[nH]1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852218937	ED	On-Demand	Anodyne	PLD1	45	34
CCOC(=O)C1=C(CN2C[C@@H]3CCCC[C@@H]32)NC(=O)N[C@H]1c1ccccc1	ZINC000852218953	FF	On-Demand	Anodyne	SLC27A4	80	37
CCOC(=O)C1=C(CN2C[C@@H]3CCCC[C@@H]32)NC(=O)N[C@@H]1c1ccccc1	ZINC000852218954	FF	On-Demand	Anodyne	SLC27A4	80	37
O=C(c1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1)N1CCCC1	ZINC000852218970	CG	On-Demand	Anodyne	PREP	25	40
O=C(c1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1)N1CCCC1	ZINC000852218970	CG	On-Demand	Anodyne	MLYCD	17	40
O=C(c1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1)N1CCCC1	ZINC000852218970	CG	On-Demand	Anodyne	L3MBTL3	100	52
C[C@H](O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852218980	CC	On-Demand	Anodyne	CHRM3	24	41
C[C@H](O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852218980	CC	On-Demand	Anodyne	AMY2	61	37
C[C@H](O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852218981	CC	On-Demand	Anodyne	CHRM3	24	41
C[C@H](O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852218981	CC	On-Demand	Anodyne	AMY2	61	37
Cc1ncc(CCNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852219065	ED	On-Demand	Anodyne	PYGL	34	45
Cc1ncc(CCNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852219065	ED	On-Demand	Anodyne	PYGM	29	45
Cc1ncc(CCNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852219065	ED	On-Demand	Anodyne	TPP2	43	32
Cc1ncc(CCNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852219066	ED	On-Demand	Anodyne	PYGL	34	45
Cc1ncc(CCNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852219066	ED	On-Demand	Anodyne	PYGM	29	45
Cc1ncc(CCNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852219066	ED	On-Demand	Anodyne	TPP2	43	32
CCCOc1cccc(CCNC(=O)NCc2ncccn2)c1	ZINC000852219087	DE	On-Demand	Anodyne	HRH2	30	48
CCCOc1cccc(CCNC(=O)NCc2ncccn2)c1	ZINC000852219087	DE	On-Demand	Anodyne	MTNR1A	47	43
CCCOc1cccc(CCNC(=O)NCc2ncccn2)c1	ZINC000852219087	DE	On-Demand	Anodyne	MTNR1B	35	40
CCCOc1cccc(CCNC(=O)NCc2ncccn2)c1	ZINC000852219087	DE	On-Demand	Anodyne	CRTM	50	35
CCCOc1cccc(CCNC(=O)NCc2ncccn2)c1	ZINC000852219087	DE	On-Demand	Anodyne	PDS	62	37
O=C(NCCc1cc2ccccc2[nH]1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852219120	GG	On-Demand	Clean	CYP51A1	23	45
NC(=O)[C@@](O)(CN1C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852219135	CD	On-Demand	Anodyne	CHRM2	23	41
NC(=O)[C@@](O)(CN1C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852219135	CD	On-Demand	Anodyne	CHRM3	35	41
NC(=O)[C@@](O)(CN1C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852219135	CD	On-Demand	Anodyne	AMY2	46	32
NC(=O)[C@](O)(CN1C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852219136	CD	On-Demand	Anodyne	CHRM2	23	41
NC(=O)[C@](O)(CN1C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852219136	CD	On-Demand	Anodyne	CHRM3	35	41
NC(=O)[C@](O)(CN1C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852219136	CD	On-Demand	Anodyne	AMY2	46	32
CCCOc1cccc(CCNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852219222	EE	On-Demand	Anodyne	HRH2	27	46
CCCOc1cccc(CCNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852219222	EE	On-Demand	Anodyne	MTNR1A	55	44
CCCOc1cccc(CCNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852219222	EE	On-Demand	Anodyne	MTNR1B	42	44
CCCOc1cccc(CCNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852219222	EE	On-Demand	Anodyne	CRTM	50	35
CCCOc1cccc(CCNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852219222	EE	On-Demand	Anodyne	PDS	48	35
COc1ccc(N2CCN(C(=O)CN3C[C@@H]4CCCC[C@@H]43)CC2)cc1	ZINC000852219225	EE	On-Demand	Clean	SSTR1	74	37
Cc1ncc(CCNC(=O)NCCc2ccnc3ccccc23)s1	ZINC000852219247	EG	On-Demand	Anodyne	MTNR1A	32	42
Cc1ncc(CCNC(=O)NCCc2ccnc3ccccc23)s1	ZINC000852219247	EG	On-Demand	Anodyne	MTNR1B	22	42
CCCOc1cccc(CCNC(=O)NCC2SCCS2)c1	ZINC000852219291	EG	On-Demand	Anodyne	HRH2	28	48
CCCOc1cccc(CCNC(=O)NCC2SCCS2)c1	ZINC000852219291	EG	On-Demand	Anodyne	MTNR1A	42	41
CCCOc1cccc(CCNC(=O)NCC2SCCS2)c1	ZINC000852219291	EG	On-Demand	Anodyne	CRTM	49	33
CCCOc1cccc(CCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852219312	GD	On-Demand	Reactive	HRH2	32	41
CCCOc1cccc(CCNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1	ZINC000852219313	GD	On-Demand	Reactive	HRH2	32	41
CCCOc1cccc(CCNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1	ZINC000852219314	GD	On-Demand	Reactive	HRH2	32	41
CCCOc1cccc(CCNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1	ZINC000852219315	GD	On-Demand	Reactive	HRH2	32	41
Cc1ncc(CCNC(=O)N2CCc3nc(-c4ccccc4)sc3C2)s1	ZINC000852219332	GH	On-Demand	Anodyne	P2RY14	48	36
C#C[C@@H](NC(=O)NCCc1cccc(OCC)c1)C1CCOCC1	ZINC000852219339	EE	On-Demand	Mild	HRH2	25	41
C#C[C@@H](NC(=O)NCCc1cccc(OCC)c1)C1CCOCC1	ZINC000852219339	EE	On-Demand	Mild	PDS	53	35
C#C[C@H](NC(=O)NCCc1cccc(OCC)c1)C1CCOCC1	ZINC000852219340	EE	On-Demand	Mild	HRH2	25	41
C#C[C@H](NC(=O)NCCc1cccc(OCC)c1)C1CCOCC1	ZINC000852219340	EE	On-Demand	Mild	PDS	53	35
CCOc1ccc(C=NOCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1	ZINC000852219409	EG	On-Demand	Mild	ACACA	20	44
CCOc1ccc(C=NOCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1	ZINC000852219409	EG	On-Demand	Mild	ACACB	21	46
CCOc1ccc(C=NOCC(=O)N[C@H](C)c2ccc(F)cc2)cc1	ZINC000852219411	EG	On-Demand	Mild	ACACA	20	44
CCOc1ccc(C=NOCC(=O)N[C@H](C)c2ccc(F)cc2)cc1	ZINC000852219411	EG	On-Demand	Mild	ACACB	21	46
CC(C)(C)OC(=O)N1CC[C@H](CCN2C[C@@H]3CCCC[C@@H]32)C1	ZINC000852219412	DH	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CC[C@@H](CCN2C[C@@H]3CCCC[C@@H]32)C1	ZINC000852219414	DH	On-Demand	Anodyne	GPR119	32	41
CCCOc1cccc(CCNC(=O)NNC(=O)c2cccc(F)n2)c1	ZINC000852219449	FE	On-Demand	Reactive	HRH2	26	41
CCCOc1cccc(CCNC(=O)NNC(=O)c2cccc(F)n2)c1	ZINC000852219449	FE	On-Demand	Reactive	MTNR1A	35	42
NC(=O)[C@](O)(CN1CCC[C@H]1CC1CCCC1)c1ccccc1	ZINC000852219457	DE	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@](O)(CN1CCC[C@H]1CC1CCCC1)c1ccccc1	ZINC000852219457	DE	On-Demand	Anodyne	CHRM1	17	41
NC(=O)[C@](O)(CN1CCC[C@H]1CC1CCCC1)c1ccccc1	ZINC000852219457	DE	On-Demand	Anodyne	CHRM3	32	41
NC(=O)[C@](O)(CN1CCC[C@H]1CC1CCCC1)c1ccccc1	ZINC000852219457	DE	On-Demand	Anodyne	AMY2	43	30
CCCOc1cccc(CCNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852219458	EG	On-Demand	Anodyne	HRH2	29	46
NC(=O)[C@@](O)(CN1CCC[C@@H]1CC1CCCC1)c1ccccc1	ZINC000852219459	DE	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@@](O)(CN1CCC[C@@H]1CC1CCCC1)c1ccccc1	ZINC000852219459	DE	On-Demand	Anodyne	CHRM1	17	41
NC(=O)[C@@](O)(CN1CCC[C@@H]1CC1CCCC1)c1ccccc1	ZINC000852219459	DE	On-Demand	Anodyne	CHRM3	32	41
NC(=O)[C@@](O)(CN1CCC[C@@H]1CC1CCCC1)c1ccccc1	ZINC000852219459	DE	On-Demand	Anodyne	AMY2	43	30
CCCOc1cccc(CCNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852219460	EG	On-Demand	Anodyne	HRH2	29	46
NC(=O)[C@](O)(CN1CCC[C@@H]1CC1CCCC1)c1ccccc1	ZINC000852219461	DE	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@](O)(CN1CCC[C@@H]1CC1CCCC1)c1ccccc1	ZINC000852219461	DE	On-Demand	Anodyne	CHRM1	17	41
NC(=O)[C@](O)(CN1CCC[C@@H]1CC1CCCC1)c1ccccc1	ZINC000852219461	DE	On-Demand	Anodyne	CHRM3	32	41
NC(=O)[C@](O)(CN1CCC[C@@H]1CC1CCCC1)c1ccccc1	ZINC000852219461	DE	On-Demand	Anodyne	AMY2	43	30
NC(=O)[C@@](O)(CN1CCC[C@H]1CC1CCCC1)c1ccccc1	ZINC000852219463	DE	On-Demand	Anodyne	CHRM2	20	41
NC(=O)[C@@](O)(CN1CCC[C@H]1CC1CCCC1)c1ccccc1	ZINC000852219463	DE	On-Demand	Anodyne	CHRM1	17	41
NC(=O)[C@@](O)(CN1CCC[C@H]1CC1CCCC1)c1ccccc1	ZINC000852219463	DE	On-Demand	Anodyne	CHRM3	32	41
NC(=O)[C@@](O)(CN1CCC[C@H]1CC1CCCC1)c1ccccc1	ZINC000852219463	DE	On-Demand	Anodyne	AMY2	43	30
Cc1ccccc1C=NOCC(=O)NCc1ccc(Cl)cc1	ZINC000852219484	DG	On-Demand	Mild	UL54	54	33
CCCOc1cccc(CCNC(=O)NCCC2SCCS2)c1	ZINC000852219513	FH	On-Demand	Anodyne	HRH2	28	48
CCCOc1cccc(CCNC(=O)NCCC2SCCS2)c1	ZINC000852219513	FH	On-Demand	Anodyne	MTNR1A	42	41
Cc1ncc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852219521	FF	On-Demand	Anodyne	ACHE	24	43
Cc1ncc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852219521	FF	On-Demand	Anodyne	SIGMAR1	15	42
Cc1ncc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852219521	FF	On-Demand	Anodyne	SSTR5	58	38
Cc1ncc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852219521	FF	On-Demand	Anodyne	CCR3	20	40
Cc1ncc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852219521	FF	On-Demand	Anodyne	CACNA1I	59	41
COc1cccc([C@]2(C)CCN(C(=O)NCCc3cnc(C)s3)C2)c1	ZINC000852219536	FG	On-Demand	Anodyne	DRD4	41	32
COCCC(=O)N1CCC(NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852219579	CD	On-Demand	Anodyne	EPHX2	35	44
COCCC(=O)N1CCC(NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852219582	CD	On-Demand	Anodyne	EPHX2	35	44
CCCOc1cccc(CCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852219599	CG	On-Demand	Anodyne	HRH2	36	45
CCCOc1cccc(CCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852219599	CG	On-Demand	Anodyne	MTNR1A	39	41
CCCOc1cccc(CCNC(=O)N[C@H]2C=CCC2)c1	ZINC000852219599	CG	On-Demand	Anodyne	PDS	46	36
CCCOc1cccc(CCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852219601	CG	On-Demand	Anodyne	HRH2	36	45
CCCOc1cccc(CCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852219601	CG	On-Demand	Anodyne	MTNR1A	39	41
CCCOc1cccc(CCNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852219601	CG	On-Demand	Anodyne	PDS	46	36
C[C@H](C(=O)Nc1cccnc1Cl)N1C[C@@H]2CCCC[C@@H]21	ZINC000852219638	CF	On-Demand	Anodyne	G2YM83_BOTF4	69	39
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2C[C@@H]3CCCC[C@@H]32)CC1	ZINC000852219645	DD	On-Demand	Anodyne	P2RY12	49	36
CCOC(=O)N1CCN(C(=O)[C@H](C)N2C[C@@H]3CCCC[C@@H]32)CC1	ZINC000852219649	DD	On-Demand	Anodyne	P2RY12	49	36
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc4c3OCCCO4)C2)cc1	ZINC000852219732	GF	On-Demand	Clean	MTNR1A	23	47
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc4c3OCCCO4)C2)cc1	ZINC000852219732	GF	On-Demand	Clean	MTNR1B	16	47
Cc1ncc(CCNC(=O)NCc2cccnc2N2CCCC2)s1	ZINC000852219744	EE	On-Demand	Anodyne	SCN2A	18	44
Cc1ncc(CCNC(=O)NCc2cccnc2N2CCCC2)s1	ZINC000852219744	EE	On-Demand	Anodyne	SCN10A	22	44
O=C(CN1C[C@@H]2CCCC[C@@H]21)NNC(=O)c1ccc(F)cc1	ZINC000852219819	DD	On-Demand	Reactive	SSTR3	16	41
CC(=O)c1cccc(NC(=O)CON=Cc2ccccc2C)c1	ZINC000852219822	DG	On-Demand	Mild	KCNK3	97	39
CC(=O)c1cccc(NC(=O)CON=Cc2ccccc2C)c1	ZINC000852219822	DG	On-Demand	Mild	KCNK9	63	37
Cc1ccccc1C=NOCc1cccc([N+](=O)[O-])c1	ZINC000852219829	CG	On-Demand	Mild	CACNA1C	47	38
Cc1ccccc1C=NOCc1cccc([N+](=O)[O-])c1	ZINC000852219829	CG	On-Demand	Mild	CACNA1D	78	38
CCOC(=O)CCN(C[C@@](O)(C(N)=O)c1ccccc1)C(C)C	ZINC000852219916	DD	On-Demand	Anodyne	AMY2	56	35
CCOC(=O)CCN(C[C@](O)(C(N)=O)c1ccccc1)C(C)C	ZINC000852219917	DD	On-Demand	Anodyne	AMY2	56	35
CCOC(=O)C1=C(CN2C[C@@H]3CCCC[C@@H]32)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000852219919	GF	On-Demand	Anodyne	SLC27A4	81	37
CCOC(=O)C1=C(CN2C[C@@H]3CCCC[C@@H]32)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000852219920	GF	On-Demand	Anodyne	SLC27A4	81	37
Cc1ncc(CCNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)s1	ZINC000852219956	GG	On-Demand	Anodyne	SIRT3	49	30
Cc1ncc(CCNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)s1	ZINC000852219956	GG	On-Demand	Anodyne	SIRT2	49	30
Cc1ncc(CCNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)s1	ZINC000852219956	GG	On-Demand	Anodyne	SIRT1	49	30
Cc1ncc(CCNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)s1	ZINC000852219958	GG	On-Demand	Anodyne	SIRT3	49	30
Cc1ncc(CCNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)s1	ZINC000852219958	GG	On-Demand	Anodyne	SIRT2	49	30
Cc1ncc(CCNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)s1	ZINC000852219958	GG	On-Demand	Anodyne	SIRT1	49	30
CCCOc1cccc(CCNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852219963	FF	On-Demand	Anodyne	DRD4	16	41
CCCOc1cccc(CCNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852219963	FF	On-Demand	Anodyne	HRH2	34	45
CCCOc1cccc(CCNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852219963	FF	On-Demand	Anodyne	MTNR1A	43	39
CCCOc1cccc(CCNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852219963	FF	On-Demand	Anodyne	FAAH	36	49
Cc1ncc(CCNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)s1	ZINC000852219982	EF	On-Demand	Anodyne	EPHX2	20	43
Cc1ccccc1C=NOCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852220021	FH	On-Demand	Mild	P2RY1	60	38
Cc1ccccc1C=NOCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852220021	FH	On-Demand	Mild	EPHX2	47	37
Cc1ccccc1C=NOCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852220021	FH	On-Demand	Mild	MCHR1	17	43
Cc1ccccc1C=NOCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852220021	FH	On-Demand	Mild	SHH	46	37
O=C(NCCc1cc2ccccc2[nH]1)N1CCC(N2CCOC2=O)CC1	ZINC000852220034	FE	On-Demand	Anodyne	PLD1	46	35
C[C@H](CN1C[C@@H]2CCCC[C@@H]21)NC(=O)OC(C)(C)C	ZINC000852220051	CF	On-Demand	Anodyne	CTSK	17	44
CCCOc1cccc(CCNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852220061	FG	On-Demand	Anodyne	HRH2	30	45
O=C(CCN1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CC1	ZINC000852220081	EF	On-Demand	Anodyne	CNR2	20	40
O=c1cc(CN2C[C@@H]3CCCC[C@@H]32)c2ccc(O)cc2o1	ZINC000852220082	CF	On-Demand	Anodyne	HSD17B3	38	53
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1ccc(N2CCOCC2)cc1	ZINC000852220087	EE	On-Demand	Anodyne	MTOR	66	36
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1ccc(N2CCOCC2)cc1	ZINC000852220087	EE	On-Demand	Anodyne	EPHX2	15	45
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1ccc(N2CCOCC2)cc1	ZINC000852220087	EE	On-Demand	Anodyne	STAT6	51	32
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1cccnc1Cl	ZINC000852220095	CF	On-Demand	Anodyne	G2YM83_BOTF4	69	38
O=C(NCCCF)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852220103	DD	On-Demand	Clean	CCR3	16	46
O[C@@H](CCN1C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000852220131	BF	On-Demand	Anodyne	SLC6A3	21	45
CC(C)(C)OC(=O)N1CC[C@@H](CN2C[C@@H]3CCCC[C@@H]32)C1	ZINC000852220165	CG	On-Demand	Anodyne	GPR119	34	40
CC(C)(C)OC(=O)N1CC[C@H](CN2C[C@@H]3CCCC[C@@H]32)C1	ZINC000852220167	CG	On-Demand	Anodyne	GPR119	34	40
Cc1ncc(CCNC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)s1	ZINC000852220181	FI	On-Demand	Anodyne	MAPK1	40	38
O=C(CN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220193	CF	On-Demand	Anodyne	ACE	41	43
O=C(CN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220193	CF	On-Demand	Anodyne	CTSB	20	41
O=C(CN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220193	CF	On-Demand	Anodyne	CTSK	20	41
O=C(CN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220193	CF	On-Demand	Anodyne	CTSL	28	41
O=C(CN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220193	CF	On-Demand	Anodyne	PREP	40	42
O=C(CN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220193	CF	On-Demand	Anodyne	SLC12A5	73	40
CCCOc1cccc(CCNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852220200	EC	On-Demand	Reactive	HRH2	34	42
Cc1ncc(CCNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)s1	ZINC000852220210	FH	On-Demand	Anodyne	KCNH2	41	39
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc4ccccc4[nH]3)C2)cc1	ZINC000852220218	GG	On-Demand	Clean	MTNR1A	49	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc4ccccc4[nH]3)C2)cc1	ZINC000852220218	GG	On-Demand	Clean	MTNR1B	40	45
COCCC(=O)N1CCC(NC(=O)NCC2SCCS2)CC1	ZINC000852220224	ED	On-Demand	Anodyne	EPHX2	29	47
O=C(CCN1C[C@@H]2CCCC[C@@H]21)N1CCCC1	ZINC000852220246	BD	On-Demand	Anodyne	PREP	25	42
CCOc1ccc(C=NOCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1	ZINC000852220255	GI	On-Demand	Mild	ACACA	18	40
CCOc1ccc(C=NOCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1	ZINC000852220255	GI	On-Demand	Mild	ACACB	21	42
CCOc1ccc(C=NOCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1	ZINC000852220257	GI	On-Demand	Mild	ACACA	18	40
CCOc1ccc(C=NOCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1	ZINC000852220257	GI	On-Demand	Mild	ACACB	21	42
Cc1ccccc1C=NOCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852220267	EG	On-Demand	Mild	CNR2	26	41
Cc1ccccc1C=NOCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852220267	EG	On-Demand	Mild	EPHX2	88	44
COc1ccc2c(CN3C[C@@H]4CCCC[C@@H]43)cc(=O)oc2c1	ZINC000852220275	CG	On-Demand	Anodyne	CYP19A1	15	53
COc1ccc2c(CN3C[C@@H]4CCCC[C@@H]43)cc(=O)oc2c1	ZINC000852220275	CG	On-Demand	Anodyne	CYP11B1	18	45
COc1ccc2c(CN3C[C@@H]4CCCC[C@@H]43)cc(=O)oc2c1	ZINC000852220275	CG	On-Demand	Anodyne	MAOB	29	46
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852220301	FG	On-Demand	Anodyne	CNR2	25	44
Cc1ccccc1C=NOCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852220317	DH	On-Demand	Mild	SLC1A1	27	42
Cc1ccccc1C=NOCC(=O)Nc1ccc(F)c(Cl)c1	ZINC000852220317	DH	On-Demand	Mild	SLC1A2	35	42
Cc1ccccc1C=NOCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852220359	EI	On-Demand	Mild	SLC1A1	20	42
Cc1ccccc1C=NOCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852220359	EI	On-Demand	Mild	SLC1A3	18	42
Cc1ccccc1C=NOCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852220359	EI	On-Demand	Mild	CCR2	24	41
Cc1ccccc1C=NOCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852220359	EI	On-Demand	Mild	SLC1A2	39	42
Cc1ccccc1C=NOCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852220359	EI	On-Demand	Mild	KCNK3	60	43
Cc1ccccc1C=NOCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852220359	EI	On-Demand	Mild	KCNK9	53	33
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852220360	FE	On-Demand	Anodyne	F13A1	41	35
Cc1ccccc1C=NOCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852220364	EI	On-Demand	Mild	SLC1A2	16	40
Cc1ccccc1C=NOCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852220364	EI	On-Demand	Mild	IMDH_CRYPV	40	42
COCCC(=O)N1CCC(NC(=O)NCCN(C)C(=O)OC)CC1	ZINC000852220369	EC	On-Demand	Anodyne	EPHX2	21	45
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CC1	ZINC000852220370	EE	On-Demand	Anodyne	CNR2	19	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)COC4)C2)cc1	ZINC000852220402	FF	On-Demand	Clean	EDNRB	27	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)COC4)C2)cc1	ZINC000852220402	FF	On-Demand	Clean	EDNRA	25	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)COC4)C2)cc1	ZINC000852220402	FF	On-Demand	Clean	MTNR1A	19	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)COC4)C2)cc1	ZINC000852220402	FF	On-Demand	Clean	MTNR1B	20	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)COC4)C2)cc1	ZINC000852220402	FF	On-Demand	Clean	PDK1	43	32
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)COC4)C2)cc1	ZINC000852220402	FF	On-Demand	Clean	MCHR1	17	51
CCNC(=O)C(C)(C)CNC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852220414	FE	On-Demand	Anodyne	NPY2R	27	42
CNC(=O)[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)C(C)C	ZINC000852220416	GB	On-Demand	Reactive	PAPA1_CARPA	23	41
O=C(NCC1(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852220425	CG	On-Demand	Anodyne	NPFFR2	17	41
O=C(NCC1(Cc2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852220425	CG	On-Demand	Anodyne	NPFFR1	17	41
O=C(NCC1(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852220426	CG	On-Demand	Anodyne	NPFFR2	17	41
O=C(NCC1(Cc2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852220426	CG	On-Demand	Anodyne	NPFFR1	17	41
Cc1ccccc1C=NOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852220437	HE	On-Demand	Mild	LPL	46	42
Cc1ccccc1C=NOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852220437	HE	On-Demand	Mild	TGM2	76	49
Cc1ccccc1C=NOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852220437	HE	On-Demand	Mild	F13A1	108	49
Cc1ccccc1C=NOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852220437	HE	On-Demand	Mild	LIPG	18	42
Cc1ccccc1C=NOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852220437	HE	On-Demand	Mild	NAMPT	25	44
C=CCC[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852220457	EF	On-Demand	Mild	CCR5	17	40
C=CCC[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852220458	EF	On-Demand	Mild	CCR5	17	40
C=CCC[C@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852220459	EF	On-Demand	Mild	CCR5	17	40
C=CCC[C@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852220460	EF	On-Demand	Mild	CCR5	17	40
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852220484	IE	On-Demand	Mild	LPL	44	41
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852220484	IE	On-Demand	Mild	CNR2	15	57
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852220484	IE	On-Demand	Mild	NR1H4	21	47
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852220484	IE	On-Demand	Mild	TGM2	31	40
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852220484	IE	On-Demand	Mild	F13A1	56	40
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852220484	IE	On-Demand	Mild	LIPG	18	41
COCCC(=O)N1CCC(NC(=O)NCCC2SCCS2)CC1	ZINC000852220521	FD	On-Demand	Anodyne	EPHX2	23	45
COCCC(=O)N1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852220524	FD	On-Demand	Reactive	HTR4	16	40
COCCC(=O)N1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852220524	FD	On-Demand	Reactive	EPHX2	33	45
CCOc1ccc(C=NOCC(=O)N[C@@H](C)c2ccc(CC)cc2)cc1	ZINC000852220530	FH	On-Demand	Mild	ACACA	21	44
CCOc1ccc(C=NOCC(=O)N[C@@H](C)c2ccc(CC)cc2)cc1	ZINC000852220530	FH	On-Demand	Mild	ACACB	22	46
CCOc1ccc(C=NOCC(=O)N[C@H](C)c2ccc(CC)cc2)cc1	ZINC000852220531	FH	On-Demand	Mild	ACACA	21	44
CCOc1ccc(C=NOCC(=O)N[C@H](C)c2ccc(CC)cc2)cc1	ZINC000852220531	FH	On-Demand	Mild	ACACB	22	46
O=C(NCCCF)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852220535	GF	On-Demand	Anodyne	EPHX2	21	40
O=C(NCCCF)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852220535	GF	On-Demand	Anodyne	SMO	17	42
COCCC(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852220559	GE	On-Demand	Anodyne	DRD4	19	42
COCCC(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852220559	GE	On-Demand	Anodyne	EPHX2	31	42
COCCC(=O)N1CCC(NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852220559	GE	On-Demand	Anodyne	CCR8	81	38
COCCC(=O)N1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852220560	GE	On-Demand	Anodyne	DRD4	19	42
COCCC(=O)N1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852220560	GE	On-Demand	Anodyne	EPHX2	31	42
COCCC(=O)N1CCC(NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852220560	GE	On-Demand	Anodyne	CCR8	81	38
O=C(CN1C[C@@H]2CCCC[C@@H]21)NOCc1ccccc1	ZINC000852220565	CE	On-Demand	Anodyne	ACE	33	43
O=C(CN1C[C@@H]2CCCC[C@@H]21)NOCc1ccccc1	ZINC000852220565	CE	On-Demand	Anodyne	CELA1	19	41
O=C(CN1C[C@@H]2CCCC[C@@H]21)NOCc1ccccc1	ZINC000852220565	CE	On-Demand	Anodyne	CTSB	15	40
O=C(CN1C[C@@H]2CCCC[C@@H]21)NOCc1ccccc1	ZINC000852220565	CE	On-Demand	Anodyne	CTSK	22	40
O=C(CN1C[C@@H]2CCCC[C@@H]21)NOCc1ccccc1	ZINC000852220565	CE	On-Demand	Anodyne	CTSL	23	40
O=C(CN1C[C@@H]2CCCC[C@@H]21)NOCc1ccccc1	ZINC000852220565	CE	On-Demand	Anodyne	PREP	33	42
O=C(CN1C[C@@H]2CCCC[C@@H]21)NOCc1ccccc1	ZINC000852220565	CE	On-Demand	Anodyne	SLC12A5	66	37
Fc1cccc(OCCN2C[C@@H]3CCCC[C@@H]32)c1	ZINC000852220587	BG	On-Demand	Anodyne	CHRNA10	71	49
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1ccc2ccccc2c1	ZINC000852220592	CH	On-Demand	Anodyne	IMDH_CRYPV	25	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCCCF)C1	ZINC000852220601	GG	On-Demand	Anodyne	EPHX2	22	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCCCF)C1	ZINC000852220601	GG	On-Demand	Anodyne	GPR119	33	44
COc1ccc(N2CC[C@H](NC(=O)NCCCF)C2)cc1	ZINC000852220605	CD	On-Demand	Clean	MTNR1A	21	48
COc1ccc(N2CC[C@H](NC(=O)NCCCF)C2)cc1	ZINC000852220605	CD	On-Demand	Clean	MTNR1B	19	48
O=C(CN1C[C@@H]2CCCC[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852220608	FE	On-Demand	Bother	SSTR1	64	49
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(Cc2ccccc2)CC1	ZINC000852220612	FF	On-Demand	Anodyne	NPFFR2	19	40
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(Cc2ccccc2)CC1	ZINC000852220612	FF	On-Demand	Anodyne	NPFFR1	24	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(Cc2ccccc2)CC1	ZINC000852220613	FF	On-Demand	Anodyne	NPFFR2	19	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(Cc2ccccc2)CC1	ZINC000852220613	FF	On-Demand	Anodyne	NPFFR1	24	40
CNC(=O)[C@@H](NC(=O)NCc1ncccn1)C(C)C	ZINC000852220622	CC	On-Demand	Anodyne	PAPA1_CARPA	23	43
Cc1ncc(CCNC(=O)N2CCC3(CCc4ccccc4O3)CC2)s1	ZINC000852220639	FH	On-Demand	Anodyne	SCD1	21	40
Cc1ncc(CCNC(=O)N2CCC3(CCc4ccccc4O3)CC2)s1	ZINC000852220639	FH	On-Demand	Anodyne	SCD	22	40
O=C1CCC2=C(CCN(C(=O)NCc3ccc(Sc4ccccc4)cc3)C2)N1	ZINC000852220640	GH	On-Demand	Anodyne	NPSR1	27	41
O=C1CCC2=C(CCN(C(=O)NCc3ccc(Sc4ccccc4)cc3)C2)N1	ZINC000852220640	GH	On-Demand	Anodyne	NAMPT	16	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(Cc2ccccc2)CC1	ZINC000852220643	GG	On-Demand	Clean	NPFFR2	27	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(Cc2ccccc2)CC1	ZINC000852220643	GG	On-Demand	Clean	STAT6	15	44
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(Cc2ccccc2)CC1	ZINC000852220643	GG	On-Demand	Clean	NPFFR1	32	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(Cc2ccccc2)CC1	ZINC000852220643	GG	On-Demand	Clean	SLC12A5	68	36
O=C(NCc1ncccn1)NCC1(Cc2ccccc2)CC1	ZINC000852220670	CE	On-Demand	Anodyne	NPFFR2	19	43
O=C(NCc1ncccn1)NCC1(Cc2ccccc2)CC1	ZINC000852220670	CE	On-Demand	Anodyne	NPFFR1	26	43
COc1cccc([C@]2(C)CCN(C(=O)NCc3ccc(OC)c(C#N)c3)C2)c1	ZINC000852220684	GG	On-Demand	Mild	DRD4	42	32
CNC(=O)[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852220700	ED	On-Demand	Clean	BIRC2	27	41
CNC(=O)[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C	ZINC000852220701	ED	On-Demand	Clean	BIRC2	27	41
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA2	66	46
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA6	19	45
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA1	64	46
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA7	44	46
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	HRH3	17	56
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA13	19	45
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA4	39	44
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA12	47	46
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA9	56	46
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CAH_METTE	25	45
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CYNT	27	40
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	NCE103	22	45
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	CA15	19	45
NS(=O)(=O)c1ccc(CCN2C[C@@H]3CCCC[C@@H]32)cc1	ZINC000852220716	CD	On-Demand	Anodyne	A6YCJ1_9METZ	26	45
COCCC(=O)N1CCC(NC(=O)N[C@@H]2COC3(CCC3)C2)CC1	ZINC000852220720	ED	On-Demand	Anodyne	EPHX2	23	45
COCCC(=O)N1CCC(NC(=O)N[C@H]2COC3(CCC3)C2)CC1	ZINC000852220721	ED	On-Demand	Anodyne	EPHX2	23	45
O=C(CN1C[C@@H]2CCCC[C@@H]21)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1	ZINC000852220725	GD	On-Demand	Anodyne	ST14	40	35
O=C(CCN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220746	CF	On-Demand	Anodyne	ACE	22	44
O=C(CCN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220746	CF	On-Demand	Anodyne	CTSK	18	42
O=C(CCN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220746	CF	On-Demand	Anodyne	CTSL	24	42
O=C(CCN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220746	CF	On-Demand	Anodyne	PREP	43	41
O=C(CCN1C[C@@H]2CCCC[C@@H]21)OCc1ccccc1	ZINC000852220746	CF	On-Demand	Anodyne	SLC12A5	73	38
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCCCF)C2)CC1	ZINC000852220749	FG	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCCCF)C2)CC1	ZINC000852220750	FG	On-Demand	Anodyne	GPR119	32	43
Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3CCCC[C@@H]32)c1	ZINC000852220785	DD	On-Demand	Reactive	KCNK3	56	39
Cc1cccc(C(=O)NNC(=O)CN2C[C@@H]3CCCC[C@@H]32)c1	ZINC000852220785	DD	On-Demand	Reactive	KCNK9	44	39
O=C(CCN1C[C@@H]2CCCC[C@@H]21)Nc1ccc(N2CCOCC2)cc1	ZINC000852220794	EF	On-Demand	Anodyne	MTOR	59	36
O=C(CCN1C[C@@H]2CCCC[C@@H]21)Nc1ccc(N2CCOCC2)cc1	ZINC000852220794	EF	On-Demand	Anodyne	EPHX2	15	44
O=C(CCN1C[C@@H]2CCCC[C@@H]21)Nc1ccc(N2CCOCC2)cc1	ZINC000852220794	EF	On-Demand	Anodyne	STAT6	50	31
CC(C)(C)OC(=O)N1CCC(CN2C[C@@H]3CCCC[C@@H]32)CC1	ZINC000852220813	DH	On-Demand	Anodyne	GPR119	45	43
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCNC(=O)c2ccccc2F)O1	ZINC000852220829	GB	On-Demand	Reactive	HCN1	57	34
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCNC(=O)c2ccccc2F)O1	ZINC000852220829	GB	On-Demand	Reactive	HCN4	40	30
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCNC(=O)c2ccccc2F)O1	ZINC000852220832	GB	On-Demand	Reactive	HCN1	57	34
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCNC(=O)c2ccccc2F)O1	ZINC000852220832	GB	On-Demand	Reactive	HCN4	40	30
O=C(Cc1ccccc1)OCCN1C[C@@H]2CCCC[C@@H]21	ZINC000852220843	CF	On-Demand	Anodyne	SLC12A5	62	35
O=C(NCc1ccc2c(c1)COC2)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852220861	GH	On-Demand	Anodyne	ADRB2	17	41
COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(OC)c(C#N)c2)cc1F	ZINC000852220862	GH	On-Demand	Mild	DPP4	19	40
O=C(NCc1ccc2c(c1)COC2)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852220863	GH	On-Demand	Anodyne	ADRB2	17	41
Cc1ncc(CCNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)s1	ZINC000852220868	EE	On-Demand	Anodyne	CCR3	61	35
Cc1ncc(CCNC(=O)NC[C@H]2CCCN(CC3CC3)C2)s1	ZINC000852220869	EE	On-Demand	Anodyne	CCR3	61	35
Cc1ccccc1C=NOCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852220871	FH	On-Demand	Mild	GRIN2B	76	47
Cc1ccccc1C=NOCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852220871	FH	On-Demand	Mild	CCR3	32	46
C=CCC[C@H](NC(=O)NCCN(C)C(=O)OC)c1ccccc1	ZINC000852220904	DF	On-Demand	Mild	UTS2	67	39
C=CCC[C@@H](NC(=O)NCCN(C)C(=O)OC)c1ccccc1	ZINC000852220905	DF	On-Demand	Mild	UTS2	67	39
O=C(NCC1(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852220944	EG	On-Demand	Reactive	NPFFR2	19	43
O=C(NCC1(Cc2ccccc2)CC1)NNc1ccc(Cl)cn1	ZINC000852220944	EG	On-Demand	Reactive	NPFFR1	22	43
C=CCC[C@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccccc1	ZINC000852220963	EG	On-Demand	Mild	UTS2	75	41
C=CCC[C@@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccccc1	ZINC000852220964	EG	On-Demand	Mild	UTS2	75	41
O=C(NCC1(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852221012	EE	On-Demand	Reactive	NPFFR2	20	40
O=C(NCC1(Cc2ccccc2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852221012	EE	On-Demand	Reactive	NPFFR1	21	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CC2)O1	ZINC000852221036	FD	On-Demand	Reactive	HCN1	52	34
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CC2)O1	ZINC000852221036	FD	On-Demand	Reactive	HCN4	40	30
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CC2)O1	ZINC000852221039	FD	On-Demand	Reactive	HCN1	52	34
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CC2)O1	ZINC000852221039	FD	On-Demand	Reactive	HCN4	40	30
O=C(NCCC1SCCS1)NCC1(Cc2ccccc2)CC1	ZINC000852221051	EH	On-Demand	Anodyne	NPFFR2	16	40
O=C(NCCC1SCCS1)NCC1(Cc2ccccc2)CC1	ZINC000852221051	EH	On-Demand	Anodyne	NPFFR1	19	40
Cc1ccccc1C=NOCC(=O)N1c2ccccc2C[C@@H]1C	ZINC000852221057	DG	On-Demand	Mild	DRD4	25	50
Cc1ccccc1C=NOCC(=O)N1c2ccccc2C[C@@H]1C	ZINC000852221057	DG	On-Demand	Mild	TPP2	52	33
Cc1ccccc1C=NOCC(=O)N1c2ccccc2C[C@H]1C	ZINC000852221058	DG	On-Demand	Mild	DRD4	25	50
Cc1ccccc1C=NOCC(=O)N1c2ccccc2C[C@H]1C	ZINC000852221058	DG	On-Demand	Mild	TPP2	52	33
Cc1ncc(CCNC(=O)NCC2CCN(CC3CC3)CC2)s1	ZINC000852221065	EE	On-Demand	Anodyne	CACNA1I	54	35
Cc1ccccc1C=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852221098	HE	On-Demand	Mild	LPL	39	42
Cc1ccccc1C=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852221098	HE	On-Demand	Mild	TGM2	42	45
Cc1ccccc1C=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852221098	HE	On-Demand	Mild	F13A1	68	45
Cc1ccccc1C=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852221098	HE	On-Demand	Mild	LIPG	15	42
C=CCC[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852221105	FG	On-Demand	Mild	CCR5	17	42
C=CCC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852221106	FG	On-Demand	Mild	CCR5	17	42
O=C(NCC1SCCS1)NCC1(Cc2ccccc2)CC1	ZINC000852221148	DG	On-Demand	Anodyne	NPFFR2	17	42
O=C(NCC1SCCS1)NCC1(Cc2ccccc2)CC1	ZINC000852221148	DG	On-Demand	Anodyne	NPFFR1	21	42
O=C(NCC1(Cc2ccccc2)CC1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852221204	FD	On-Demand	Reactive	SLC12A5	50	35
CNC(=O)[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C(C)C	ZINC000852221224	FE	On-Demand	Anodyne	PAPA1_CARPA	16	40
CNC(=O)[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C(C)C	ZINC000852221226	FE	On-Demand	Anodyne	PAPA1_CARPA	16	40
CNC(=O)[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(C)C	ZINC000852221237	ED	On-Demand	Anodyne	PAPA1_CARPA	34	47
CNC(=O)[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(C)C	ZINC000852221238	ED	On-Demand	Anodyne	PAPA1_CARPA	34	47
C=CCC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852221244	EG	On-Demand	Mild	CCR5	26	44
C=CCC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852221245	EG	On-Demand	Mild	CCR5	26	44
CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852221249	FD	On-Demand	Clean	MTNR1A	16	49
CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852221249	FD	On-Demand	Clean	MTNR1B	18	49
CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852221250	FD	On-Demand	Clean	MTNR1A	16	49
CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852221250	FD	On-Demand	Clean	MTNR1B	18	49
CNC(=O)[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)C(C)C	ZINC000852221252	DB	On-Demand	Reactive	PAPA1_CARPA	27	46
Cc1ncc(CCNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)s1	ZINC000852221263	GG	On-Demand	Anodyne	SSTR3	29	43
Cc1ccccc1C=NOCC(=O)NCc1ccccc1	ZINC000852221283	CF	On-Demand	Mild	AMP1_PLAFQ	41	37
Cc1ccccc1C=NOCC(=O)NCc1ccccc1	ZINC000852221283	CF	On-Demand	Mild	PDS	50	36
O=C(NCC1(Cc2ccccc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852221303	EE	On-Demand	Anodyne	NPSR1	25	40
O=C(NCC1(Cc2ccccc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852221304	EE	On-Demand	Anodyne	NPSR1	25	40
COCCN(CCF)C(=O)NCC1(Cc2ccccc2)CC1	ZINC000852221319	DF	On-Demand	Anodyne	SLC12A5	40	34
CNC(=O)[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(C)C	ZINC000852221364	GF	On-Demand	Anodyne	ANPEP	19	43
CNC(=O)[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(C)C	ZINC000852221364	GF	On-Demand	Anodyne	PAPA1_CARPA	52	41
CNC(=O)[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(C)C	ZINC000852221364	GF	On-Demand	Anodyne	FPR1	50	39
CNC(=O)[C@@H](NC(=O)NNc1ccc(Cl)cn1)C(C)C	ZINC000852221394	CD	On-Demand	Reactive	PAPA1_CARPA	19	41
CNC(=O)[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)C	ZINC000852221406	FD	On-Demand	Clean	CCR1	20	45
CNC(=O)[C@@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000852221410	FD	On-Demand	Anodyne	CTSD	22	46
CNC(=O)[C@@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000852221410	FD	On-Demand	Anodyne	PGA	41	46
CNC(=O)[C@@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C	ZINC000852221410	FD	On-Demand	Anodyne	PGA5	35	45
O=C(NCC1(Cc2ccccc2)CC1)N1CCn2ncc(Br)c2C1	ZINC000852221415	GG	On-Demand	Anodyne	NPFFR2	20	41
O=C(NCC1(Cc2ccccc2)CC1)N1CCn2ncc(Br)c2C1	ZINC000852221415	GG	On-Demand	Anodyne	NPFFR1	21	41
C=CCC[C@H](NC(=O)N(CCF)CCOC)c1ccccc1	ZINC000852221422	DG	On-Demand	Mild	UTS2	68	36
C=CCC[C@@H](NC(=O)N(CCF)CCOC)c1ccccc1	ZINC000852221423	DG	On-Demand	Mild	UTS2	68	36
O=C(NCc1ccc(Sc2ccccc2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852221432	GH	On-Demand	Anodyne	NPSR1	29	45
O=C(NCc1ccc(Sc2ccccc2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852221433	GH	On-Demand	Anodyne	NPSR1	29	45
COc1ccc([C@@H]2CCCN2C(=O)NOCc2cccnc2)cc1F	ZINC000852221531	EG	On-Demand	Anodyne	FKBP1A	30	40
COc1ccc([C@@H]2CCCN2C(=O)NOCc2cccnc2)cc1F	ZINC000852221531	EG	On-Demand	Anodyne	CHRNA7	51	40
O=C(NOCc1cccnc1)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852221536	DF	On-Demand	Anodyne	GRIN2B	18	45
O=C(NOCc1cccnc1)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852221536	DF	On-Demand	Anodyne	CHRNA7	55	43
O=C(NOCc1cccnc1)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852221536	DF	On-Demand	Anodyne	ACHP_LYMST	26	43
O=C(NOCc1cccnc1)N1CCC([C@H]2CCCCO2)CC1	ZINC000852221537	DF	On-Demand	Anodyne	GRIN2B	18	45
O=C(NOCc1cccnc1)N1CCC([C@H]2CCCCO2)CC1	ZINC000852221537	DF	On-Demand	Anodyne	CHRNA7	55	43
O=C(NOCc1cccnc1)N1CCC([C@H]2CCCCO2)CC1	ZINC000852221537	DF	On-Demand	Anodyne	ACHP_LYMST	26	43
CO[C@@](C)(CNC(=O)NOCc1cccnc1)COCc1ccccc1	ZINC000852221538	FE	On-Demand	Anodyne	CYSP_TRYCR	21	40
CO[C@@](C)(CNC(=O)NOCc1cccnc1)COCc1ccccc1	ZINC000852221538	FE	On-Demand	Anodyne	NAMPT	18	40
Cc1ccccc1C=NOCC(=O)NCc1ccc2c(c1)OCO2	ZINC000852221540	EE	On-Demand	Mild	PDE5A	15	42
Cc1ccccc1C=NOCC(=O)NCc1ccc2c(c1)OCO2	ZINC000852221540	EE	On-Demand	Mild	BMP1	56	39
Cc1ccccc1C=NOCC(=O)NCc1ccc2c(c1)OCO2	ZINC000852221540	EE	On-Demand	Mild	NOS2	97	38
O=C(NCC[S@](=O)CC(F)(F)F)NOCc1cccnc1	ZINC000852221541	ED	On-Demand	Anodyne	NAMPT	26	40
O=C(NCC[S@@](=O)CC(F)(F)F)NOCc1cccnc1	ZINC000852221542	ED	On-Demand	Anodyne	NAMPT	26	40
CCC(C)(C)[C@@H](C)NC(=O)NOCc1cccnc1	ZINC000852221544	CF	On-Demand	Anodyne	TBXAS1	22	43
CCC(C)(C)[C@@H](C)NC(=O)NOCc1cccnc1	ZINC000852221544	CF	On-Demand	Anodyne	CTSB	17	43
CCC(C)(C)[C@@H](C)NC(=O)NOCc1cccnc1	ZINC000852221544	CF	On-Demand	Anodyne	CYSP_TRYCR	39	45
CCC(C)(C)[C@@H](C)NC(=O)NOCc1cccnc1	ZINC000852221544	CF	On-Demand	Anodyne	CAPNS1	43	35
CCC(C)(C)[C@@H](C)NC(=O)NOCc1cccnc1	ZINC000852221544	CF	On-Demand	Anodyne	CAPN2	43	40
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NOCc1cccnc1	ZINC000852221553	DD	On-Demand	Anodyne	CHRNA7	44	36
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NOCc1cccnc1	ZINC000852221554	DD	On-Demand	Anodyne	CHRNA7	44	36
O=C(NOCc1cccnc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852221557	CD	On-Demand	Anodyne	GRIN2B	18	47
O=C(NOCc1cccnc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852221557	CD	On-Demand	Anodyne	CHRNA7	60	45
O=C(NOCc1cccnc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852221557	CD	On-Demand	Anodyne	ACHP_LYMST	27	45
O=C(NOCc1cccnc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852221557	CD	On-Demand	Anodyne	NAMPT	51	41
O=C(NOCc1cccnc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852221558	CD	On-Demand	Anodyne	GRIN2B	18	47
O=C(NOCc1cccnc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852221558	CD	On-Demand	Anodyne	CHRNA7	60	45
O=C(NOCc1cccnc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852221558	CD	On-Demand	Anodyne	ACHP_LYMST	27	45
O=C(NOCc1cccnc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852221558	CD	On-Demand	Anodyne	NAMPT	51	41
O=C(NOCc1cccnc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852221559	CD	On-Demand	Anodyne	GRIN2B	18	47
O=C(NOCc1cccnc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852221559	CD	On-Demand	Anodyne	CHRNA7	60	45
O=C(NOCc1cccnc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852221559	CD	On-Demand	Anodyne	ACHP_LYMST	27	45
O=C(NOCc1cccnc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852221559	CD	On-Demand	Anodyne	NAMPT	51	41
O=C(NOCc1cccnc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852221560	CD	On-Demand	Anodyne	GRIN2B	18	47
O=C(NOCc1cccnc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852221560	CD	On-Demand	Anodyne	CHRNA7	60	45
O=C(NOCc1cccnc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852221560	CD	On-Demand	Anodyne	ACHP_LYMST	27	45
O=C(NOCc1cccnc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852221560	CD	On-Demand	Anodyne	NAMPT	51	41
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852221567	EF	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852221567	EF	On-Demand	Anodyne	EPHX2	33	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852221567	EF	On-Demand	Anodyne	LIPG	43	37
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852221568	EF	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852221568	EF	On-Demand	Anodyne	EPHX2	33	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852221568	EF	On-Demand	Anodyne	LIPG	43	37
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852221569	EF	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852221569	EF	On-Demand	Anodyne	EPHX2	33	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852221569	EF	On-Demand	Anodyne	LIPG	43	37
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852221570	EF	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852221570	EF	On-Demand	Anodyne	EPHX2	33	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852221570	EF	On-Demand	Anodyne	LIPG	43	37
O=C(NCc1cccc(OC2CC2)c1F)NOCc1cccnc1	ZINC000852221580	EF	On-Demand	Anodyne	NAMPT	41	36
CCO[C@@H]1C[C@@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221585	CD	On-Demand	Anodyne	CHRNA7	46	38
CCO[C@@H]1C[C@@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221585	CD	On-Demand	Anodyne	TIMP3	36	41
O=C1CC[C@@H]2CN(C(=O)NOCc3cccnc3)CC[C@H]2N1	ZINC000852221589	DC	On-Demand	Anodyne	GRIN2B	15	43
O=C1CC[C@@H]2CN(C(=O)NOCc3cccnc3)CC[C@H]2N1	ZINC000852221589	DC	On-Demand	Anodyne	CHRNA7	56	41
O=C1CC[C@@H]2CN(C(=O)NOCc3cccnc3)CC[C@H]2N1	ZINC000852221589	DC	On-Demand	Anodyne	ACHP_LYMST	25	41
O=C1CC[C@@H]2CN(C(=O)NOCc3cccnc3)CC[C@@H]2N1	ZINC000852221590	DC	On-Demand	Anodyne	GRIN2B	15	43
O=C1CC[C@@H]2CN(C(=O)NOCc3cccnc3)CC[C@@H]2N1	ZINC000852221590	DC	On-Demand	Anodyne	CHRNA7	56	41
O=C1CC[C@@H]2CN(C(=O)NOCc3cccnc3)CC[C@@H]2N1	ZINC000852221590	DC	On-Demand	Anodyne	ACHP_LYMST	25	41
O=C1CC[C@H]2CN(C(=O)NOCc3cccnc3)CC[C@H]2N1	ZINC000852221591	DC	On-Demand	Anodyne	GRIN2B	15	43
O=C1CC[C@H]2CN(C(=O)NOCc3cccnc3)CC[C@H]2N1	ZINC000852221591	DC	On-Demand	Anodyne	CHRNA7	56	41
O=C1CC[C@H]2CN(C(=O)NOCc3cccnc3)CC[C@H]2N1	ZINC000852221591	DC	On-Demand	Anodyne	ACHP_LYMST	25	41
O=C1CC[C@H]2CN(C(=O)NOCc3cccnc3)CC[C@@H]2N1	ZINC000852221592	DC	On-Demand	Anodyne	GRIN2B	15	43
O=C1CC[C@H]2CN(C(=O)NOCc3cccnc3)CC[C@@H]2N1	ZINC000852221592	DC	On-Demand	Anodyne	CHRNA7	56	41
O=C1CC[C@H]2CN(C(=O)NOCc3cccnc3)CC[C@@H]2N1	ZINC000852221592	DC	On-Demand	Anodyne	ACHP_LYMST	25	41
C[C@H]1CC[C@@](C)(CNC(=O)NOCc2cccnc2)C1(C)C	ZINC000852221601	DG	On-Demand	Anodyne	CHRNA7	41	38
O=C(NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)NOCc1cccnc1	ZINC000852221614	EB	On-Demand	Reactive	CHRNA7	46	37
CCO[C@@H]1C[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852221619	EG	On-Demand	Anodyne	SLC6A5	32	40
CS(=O)(=O)C1(CNC(=O)NOCc2cccnc2)CCCCC1	ZINC000852221621	ED	On-Demand	Anodyne	NAMPT	44	42
C=CCCNC(=O)NOCc1cccnc1	ZINC000852221622	BD	On-Demand	Mild	NAMPT	33	41
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221631	CD	On-Demand	Anodyne	GRIN2B	16	43
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221631	CD	On-Demand	Anodyne	CHRNA7	51	40
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221631	CD	On-Demand	Anodyne	C3AR1	40	39
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221631	CD	On-Demand	Anodyne	SLC6A5	23	42
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221631	CD	On-Demand	Anodyne	ACHP_LYMST	26	40
CC(C)(C)N1CC[C@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221632	CD	On-Demand	Anodyne	GRIN2B	16	43
CC(C)(C)N1CC[C@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221632	CD	On-Demand	Anodyne	CHRNA7	51	40
CC(C)(C)N1CC[C@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221632	CD	On-Demand	Anodyne	C3AR1	40	39
CC(C)(C)N1CC[C@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221632	CD	On-Demand	Anodyne	SLC6A5	23	42
CC(C)(C)N1CC[C@H](NC(=O)NOCc2cccnc2)C1	ZINC000852221632	CD	On-Demand	Anodyne	ACHP_LYMST	26	40
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NOCc1cccnc1	ZINC000852221633	DD	On-Demand	Anodyne	CHRNA7	49	35
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NOCc1cccnc1	ZINC000852221634	DD	On-Demand	Anodyne	CHRNA7	49	35
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852221639	DG	On-Demand	Anodyne	SLC6A5	33	41
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852221639	DG	On-Demand	Anodyne	EPHX2	31	43
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852221639	DG	On-Demand	Anodyne	RBP4	62	35
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852221639	DG	On-Demand	Anodyne	LIPG	48	38
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852221639	DG	On-Demand	Anodyne	TRPM8	41	34
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852221640	DG	On-Demand	Anodyne	SLC6A5	33	41
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852221640	DG	On-Demand	Anodyne	EPHX2	31	43
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852221640	DG	On-Demand	Anodyne	RBP4	62	35
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852221640	DG	On-Demand	Anodyne	LIPG	48	38
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852221640	DG	On-Demand	Anodyne	TRPM8	41	34
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852221641	DG	On-Demand	Anodyne	SLC6A5	33	41
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852221641	DG	On-Demand	Anodyne	EPHX2	31	43
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852221641	DG	On-Demand	Anodyne	RBP4	62	35
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852221641	DG	On-Demand	Anodyne	LIPG	48	38
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852221641	DG	On-Demand	Anodyne	TRPM8	41	34
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852221642	DG	On-Demand	Anodyne	SLC6A5	33	41
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852221642	DG	On-Demand	Anodyne	EPHX2	31	43
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852221642	DG	On-Demand	Anodyne	RBP4	62	35
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852221642	DG	On-Demand	Anodyne	LIPG	48	38
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852221642	DG	On-Demand	Anodyne	TRPM8	41	34
CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NOCc1cccnc1	ZINC000852221644	FE	On-Demand	Anodyne	CHRNA7	41	36
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCC(c2ccon2)CC1	ZINC000852221652	FH	On-Demand	Anodyne	EPHX2	15	42
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCC(c2ccon2)CC1	ZINC000852221652	FH	On-Demand	Anodyne	ETHR	51	32
O=C(NOCc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852221658	CF	On-Demand	Anodyne	FKBP1A	20	40
O=C(NOCc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852221658	CF	On-Demand	Anodyne	GRIN2B	20	49
O=C(NOCc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852221658	CF	On-Demand	Anodyne	CHRNA7	65	46
O=C(NOCc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852221658	CF	On-Demand	Anodyne	C3AR1	42	42
O=C(NOCc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852221658	CF	On-Demand	Anodyne	ACHP_LYMST	30	46
O=C(NOCc1cccnc1)N1CCC(C2CCC2)CC1	ZINC000852221658	CF	On-Demand	Anodyne	NAMPT	49	40
O=C(NOCc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852221662	DE	On-Demand	Anodyne	FKBP1A	18	42
O=C(NOCc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852221662	DE	On-Demand	Anodyne	CHRNA7	54	43
O=C(NOCc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852221662	DE	On-Demand	Anodyne	C3AR1	46	44
O=C(NOCc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852221662	DE	On-Demand	Anodyne	SLC6A5	20	43
O=C(NOCc1cccnc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852221662	DE	On-Demand	Anodyne	ACHP_LYMST	26	43
O=C(NOCc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852221663	DE	On-Demand	Anodyne	FKBP1A	18	42
O=C(NOCc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852221663	DE	On-Demand	Anodyne	CHRNA7	54	43
O=C(NOCc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852221663	DE	On-Demand	Anodyne	C3AR1	46	44
O=C(NOCc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852221663	DE	On-Demand	Anodyne	SLC6A5	20	43
O=C(NOCc1cccnc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852221663	DE	On-Demand	Anodyne	ACHP_LYMST	26	43
CCC1(CC)CCCN(C(=O)NOCc2cccnc2)C1	ZINC000852221669	CG	On-Demand	Anodyne	CHRNA7	41	34
CCC1(CC)CCCN(C(=O)NOCc2cccnc2)C1	ZINC000852221669	CG	On-Demand	Anodyne	SLC12A5	52	35
COc1ccc(N2CC[C@H](NC(=O)NOCc3cccnc3)C2)cc1	ZINC000852221670	EE	On-Demand	Clean	PTAFR	19	40
COc1ccc(N2CC[C@H](NC(=O)NOCc3cccnc3)C2)cc1	ZINC000852221670	EE	On-Demand	Clean	MMP13	15	45
COc1ccc(N2CC[C@H](NC(=O)NOCc3cccnc3)C2)cc1	ZINC000852221670	EE	On-Demand	Clean	CHRNA7	52	49
COc1ccc(N2CC[C@H](NC(=O)NOCc3cccnc3)C2)cc1	ZINC000852221670	EE	On-Demand	Clean	C3AR1	38	46
COc1ccc(N2CC[C@H](NC(=O)NOCc3cccnc3)C2)cc1	ZINC000852221670	EE	On-Demand	Clean	SLC6A5	18	41
COc1ccc(N2CC[C@H](NC(=O)NOCc3cccnc3)C2)cc1	ZINC000852221670	EE	On-Demand	Clean	MMP9	17	45
COc1ccc(N2CC[C@H](NC(=O)NOCc3cccnc3)C2)cc1	ZINC000852221670	EE	On-Demand	Clean	MMP1	15	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	DRD4	21	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	ACHE	45	51
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	HTR4	32	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	GRIN2B	19	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	SIGMAR1	35	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	CCR3	28	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	CHRNA7	48	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	FAAH	15	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	CACNA1I	60	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	ACHP_LYMST	24	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1cccnc1	ZINC000852221674	FE	On-Demand	Anodyne	NAMPT	46	38
O=C(NOCc1cccnc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852221679	DC	On-Demand	Anodyne	GRIN2B	15	41
O=C(NOCc1cccnc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852221679	DC	On-Demand	Anodyne	CHRNA7	45	38
O=C(NOCc1cccnc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852221680	DC	On-Demand	Anodyne	GRIN2B	15	41
O=C(NOCc1cccnc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852221680	DC	On-Demand	Anodyne	CHRNA7	45	38
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221688	GH	On-Demand	Anodyne	CHRM4	18	44
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221688	GH	On-Demand	Anodyne	CCR3	75	36
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221688	GH	On-Demand	Anodyne	CCR2	24	41
CO[C@@H](C)CNC(=O)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221692	DE	On-Demand	Anodyne	PPARD	17	40
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCc1cccnc1	ZINC000852221708	FF	On-Demand	Anodyne	GRIN2B	17	43
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCc1cccnc1	ZINC000852221708	FF	On-Demand	Anodyne	CHRNA7	45	39
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCc1cccnc1	ZINC000852221708	FF	On-Demand	Anodyne	NAMPT	51	41
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCc1cccnc1	ZINC000852221709	FF	On-Demand	Anodyne	GRIN2B	17	43
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCc1cccnc1	ZINC000852221709	FF	On-Demand	Anodyne	CHRNA7	45	39
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCc1cccnc1	ZINC000852221709	FF	On-Demand	Anodyne	NAMPT	51	41
O=C(NOCc1cccnc1)N1CCC(N2CCOC2=O)CC1	ZINC000852221717	DD	On-Demand	Anodyne	CHRNA7	45	38
Cc1ccccc1C=NOCC(=O)Nc1cccc(Cl)c1	ZINC000852221718	DH	On-Demand	Mild	KCNK3	60	40
Cc1ccccc1C=NOCC(=O)Nc1cccc(Cl)c1	ZINC000852221718	DH	On-Demand	Mild	KCNK9	45	40
O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CCC2(CC1)CC2(F)F	ZINC000852221729	GI	On-Demand	Anodyne	SLC6A5	34	42
O=C(NOCc1cccnc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852221731	GD	On-Demand	Anodyne	CHRNA7	42	38
O=C(NOCc1cccnc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852221734	DF	On-Demand	Anodyne	GRIN2B	15	40
O=C(NOCc1cccnc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852221734	DF	On-Demand	Anodyne	CHRNA7	49	40
O=C(NOCc1cccnc1)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852221735	DF	On-Demand	Anodyne	GRIN2B	15	40
O=C(NOCc1cccnc1)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852221735	DF	On-Demand	Anodyne	CHRNA7	49	40
O=C(NOCc1cccnc1)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852221736	DF	On-Demand	Anodyne	GRIN2B	15	40
O=C(NOCc1cccnc1)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852221736	DF	On-Demand	Anodyne	CHRNA7	49	40
O=C(NOCc1cccnc1)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852221737	DF	On-Demand	Anodyne	GRIN2B	15	40
O=C(NOCc1cccnc1)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852221737	DF	On-Demand	Anodyne	CHRNA7	49	40
O=C(NOCc1cccnc1)N1CCC[C@H](CCF)C1	ZINC000852221746	CE	On-Demand	Anodyne	GRIN2B	18	43
O=C(NOCc1cccnc1)N1CCC[C@H](CCF)C1	ZINC000852221746	CE	On-Demand	Anodyne	CHRNA7	51	40
O=C(NOCc1cccnc1)N1CCC[C@H](CCF)C1	ZINC000852221746	CE	On-Demand	Anodyne	ACHP_LYMST	26	40
O=C(NOCc1cccnc1)N1CCC[C@@H](CCF)C1	ZINC000852221747	CE	On-Demand	Anodyne	GRIN2B	18	43
O=C(NOCc1cccnc1)N1CCC[C@@H](CCF)C1	ZINC000852221747	CE	On-Demand	Anodyne	CHRNA7	51	40
O=C(NOCc1cccnc1)N1CCC[C@@H](CCF)C1	ZINC000852221747	CE	On-Demand	Anodyne	ACHP_LYMST	26	40
O=C(NOCc1cccnc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852221749	DG	On-Demand	Anodyne	FKBP1A	21	40
O=C(NOCc1cccnc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852221749	DG	On-Demand	Anodyne	GRIN2B	18	49
O=C(NOCc1cccnc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852221749	DG	On-Demand	Anodyne	CHRNA7	59	44
O=C(NOCc1cccnc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852221749	DG	On-Demand	Anodyne	C3AR1	46	45
O=C(NOCc1cccnc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852221749	DG	On-Demand	Anodyne	ACHP_LYMST	29	44
O=C(NOCc1cccnc1)N1CC[C@H](C2CCCCC2)C1	ZINC000852221749	DG	On-Demand	Anodyne	NAMPT	45	40
O=C(NOCc1cccnc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852221750	DG	On-Demand	Anodyne	FKBP1A	21	40
O=C(NOCc1cccnc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852221750	DG	On-Demand	Anodyne	GRIN2B	18	49
O=C(NOCc1cccnc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852221750	DG	On-Demand	Anodyne	CHRNA7	59	44
O=C(NOCc1cccnc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852221750	DG	On-Demand	Anodyne	C3AR1	46	45
O=C(NOCc1cccnc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852221750	DG	On-Demand	Anodyne	ACHP_LYMST	29	44
O=C(NOCc1cccnc1)N1CC[C@@H](C2CCCCC2)C1	ZINC000852221750	DG	On-Demand	Anodyne	NAMPT	45	40
O=C(NOCc1cccnc1)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852221752	DE	On-Demand	Anodyne	CHRNA7	50	38
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NOCc1cccnc1	ZINC000852221759	ED	On-Demand	Anodyne	CHRNA7	47	38
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@H]1CCNC1=O	ZINC000852221762	DD	On-Demand	Anodyne	NAAA	18	42
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@H]1CCNC1=O	ZINC000852221762	DD	On-Demand	Anodyne	LUXR	15	42
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@H]1CCNC1=O	ZINC000852221762	DD	On-Demand	Anodyne	TRAR	18	42
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@@H]1CCNC1=O	ZINC000852221763	DD	On-Demand	Anodyne	NAAA	18	42
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@@H]1CCNC1=O	ZINC000852221763	DD	On-Demand	Anodyne	LUXR	15	42
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@@H]1CCNC1=O	ZINC000852221763	DD	On-Demand	Anodyne	TRAR	18	42
Cc1ccccc1C=NOCC(=O)Nc1ccc2ccccc2c1	ZINC000852221766	DI	On-Demand	Mild	IMDH_CRYPV	17	41
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852221769	FE	On-Demand	Anodyne	LUXR	15	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852221769	FE	On-Demand	Anodyne	TRAR	18	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852221770	FE	On-Demand	Anodyne	LUXR	15	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852221770	FE	On-Demand	Anodyne	TRAR	18	40
O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)NOCc1cccnc1	ZINC000852221773	CE	On-Demand	Anodyne	CHRNA7	45	38
CC[C@@H](C)CCNC(=O)NOCc1cccnc1	ZINC000852221777	CE	On-Demand	Anodyne	CYSP_TRYCR	21	40
CC[C@@H](C)CCNC(=O)NOCc1cccnc1	ZINC000852221777	CE	On-Demand	Anodyne	CAPN2	52	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221779	EE	On-Demand	Anodyne	GRIN2B	27	48
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221779	EE	On-Demand	Anodyne	CHRNA7	55	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221779	EE	On-Demand	Anodyne	C3AR1	42	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221779	EE	On-Demand	Anodyne	ACHP_LYMST	27	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221779	EE	On-Demand	Anodyne	NAMPT	44	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221780	EE	On-Demand	Anodyne	GRIN2B	27	48
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221780	EE	On-Demand	Anodyne	CHRNA7	55	43
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221780	EE	On-Demand	Anodyne	C3AR1	42	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221780	EE	On-Demand	Anodyne	ACHP_LYMST	27	43
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCc2cccnc2)C1	ZINC000852221780	EE	On-Demand	Anodyne	NAMPT	44	41
O=C(NOCc1cccnc1)N[C@H]1CCCC12CCCCC2	ZINC000852221789	DG	On-Demand	Anodyne	CHRNA7	44	37
O=C(NOCc1cccnc1)N[C@@H]1CCCC12CCCCC2	ZINC000852221790	DG	On-Demand	Anodyne	CHRNA7	44	37
O=C(NOCc1cccnc1)N[C@@H]1C[C@H]1c1ccccc1Cl	ZINC000852221801	DG	On-Demand	Anodyne	CHRNA7	40	37
COc1cccc(OC)c1CNC(=O)NOCc1cccnc1	ZINC000852221803	DE	On-Demand	Anodyne	PTAFR	32	42
COc1cccc(OC)c1CNC(=O)NOCc1cccnc1	ZINC000852221803	DE	On-Demand	Anodyne	CHRNA7	21	40
COc1cccc(OC)c1CNC(=O)NOCc1cccnc1	ZINC000852221803	DE	On-Demand	Anodyne	ROCK2	17	45
COc1cccc(OC)c1CNC(=O)NOCc1cccnc1	ZINC000852221803	DE	On-Demand	Anodyne	NAMPT	43	41
O=C(NCCCC1CCC1)NOCc1cccnc1	ZINC000852221810	CE	On-Demand	Anodyne	CHRNA7	41	38
O=C(NCCCC1CCC1)NOCc1cccnc1	ZINC000852221810	CE	On-Demand	Anodyne	NAMPT	42	39
O=C(NOCc1cccnc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852221811	DC	On-Demand	Anodyne	CHRNA7	49	41
O=C(NOCc1cccnc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852221811	DC	On-Demand	Anodyne	ACHP_LYMST	24	41
O=C(NOCc1cccnc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852221812	DC	On-Demand	Anodyne	CHRNA7	49	41
O=C(NOCc1cccnc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852221812	DC	On-Demand	Anodyne	ACHP_LYMST	24	41
O=C(NOCc1cccnc1)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852221817	GI	On-Demand	Anodyne	CHRNA7	42	43
O=C(NOCc1cccnc1)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852221817	GI	On-Demand	Anodyne	BDKRB1	47	37
O=C(NOCc1cccnc1)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852221818	GI	On-Demand	Anodyne	CHRNA7	42	43
O=C(NOCc1cccnc1)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852221818	GI	On-Demand	Anodyne	BDKRB1	47	37
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NOCc2cccnc2)O1	ZINC000852221827	DB	On-Demand	Reactive	NAMPT	20	41
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NOCc2cccnc2)O1	ZINC000852221828	DB	On-Demand	Reactive	NAMPT	20	41
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NOCc1cccnc1	ZINC000852221840	FC	On-Demand	Reactive	TBXAS1	41	34
O=C(NCCO[C@H]1CC1(F)F)NOCc1cccnc1	ZINC000852221844	CD	On-Demand	Anodyne	CHRNA7	41	37
O=C(NCCO[C@@H]1CC1(F)F)NOCc1cccnc1	ZINC000852221845	CD	On-Demand	Anodyne	CHRNA7	41	37
O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)NOCc1cccnc1	ZINC000852221848	EF	On-Demand	Anodyne	CHRNA7	42	37
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)NOCc1cccnc1	ZINC000852221849	EF	On-Demand	Anodyne	CHRNA7	42	37
O=C(NCc1ccc(N2CCCNC2=O)cc1)NOCc1cccnc1	ZINC000852221859	FD	On-Demand	Anodyne	NAMPT	59	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCOCC3)C2)cc1	ZINC000852221865	FD	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCOCC3)C2)cc1	ZINC000852221865	FD	On-Demand	Clean	MTNR1B	19	45
O=C(NCC1(Cc2ccc(Br)cc2)CC1)NOCc1cccnc1	ZINC000852221874	GH	On-Demand	Anodyne	CHRNA7	21	41
O=C(NCC1(Cc2ccc(Br)cc2)CC1)NOCc1cccnc1	ZINC000852221874	GH	On-Demand	Anodyne	ACHP_LYMST	18	41
O=C(NOCc1cccnc1)N1CCC(c2ccco2)CC1	ZINC000852221885	DF	On-Demand	Anodyne	GRIN2B	15	42
O=C(NOCc1cccnc1)N1CCC(c2ccco2)CC1	ZINC000852221885	DF	On-Demand	Anodyne	CHRNA7	47	40
O=C(NCc1cccnc1N1CCCC1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221889	GH	On-Demand	Anodyne	TRPV1	46	43
O=C(NCc1cccnc1N1CCCC1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221889	GH	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221889	GH	On-Demand	Anodyne	SCN10A	25	44
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NOCc1cccnc1	ZINC000852221890	CE	On-Demand	Anodyne	CHRNA7	50	38
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NOCc1cccnc1	ZINC000852221896	GD	On-Demand	Clean	NAMPT	71	45
C[C@@]1(C#N)CCN(C(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852221909	EG	On-Demand	Mild	SLC12A5	25	41
O=C(NOCc1cccnc1)N1CCN(c2ccc(Br)cc2)CC1	ZINC000852221915	GF	On-Demand	Anodyne	CHRNA7	45	43
O=C(NOCc1cccnc1)N1CCN(c2ccc(Br)cc2)CC1	ZINC000852221915	GF	On-Demand	Anodyne	ACHP_LYMST	23	43
Cc1cccc2c1CCC[C@@H]2NC(=O)NOCc1cccnc1	ZINC000852221918	DG	On-Demand	Anodyne	CHRNA7	43	36
Cc1cccc2c1CCC[C@H]2NC(=O)NOCc1cccnc1	ZINC000852221919	DG	On-Demand	Anodyne	CHRNA7	43	36
COc1cccc(OC)c1CNC(=O)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221929	GH	On-Demand	Anodyne	PPARA	16	41
COc1cccc(OC)c1CNC(=O)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221929	GH	On-Demand	Anodyne	TRPV1	17	41
COc1cccc(OC)c1CNC(=O)NOCc1ccc(C(F)(F)F)cc1	ZINC000852221929	GH	On-Demand	Anodyne	PPARD	24	40
O=C(NOCc1cccnc1)NC1CCC2(CC1)CC2(F)F	ZINC000852221938	DF	On-Demand	Anodyne	CHRNA7	45	37
C[C@H]1c2ccccc2C[C@H]1NC(=O)NOCc1cccnc1	ZINC000852221950	CF	On-Demand	Anodyne	CHRNA7	41	36
O=C(NOCc1cccnc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852221951	GG	On-Demand	Anodyne	CHRNA7	42	41
O=C(NOCc1cccnc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852221951	GG	On-Demand	Anodyne	FAAH	16	40
O=C(NOCc1cccnc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852221951	GG	On-Demand	Anodyne	BCL2A1	42	33
CC(C)c1ccc2c(c1)CN(C(=O)NOCc1cccnc1)CC2	ZINC000852221952	EG	On-Demand	Anodyne	MAPK1	45	35
CN1CCO[C@@H](CNC(=O)NOCc2cccnc2)[C@@H]1c1cnn(C)c1	ZINC000852221961	FC	On-Demand	Anodyne	CHRNA7	43	36
CN1CCO[C@@H](CNC(=O)NOCc2cccnc2)[C@@H]1c1cnn(C)c1	ZINC000852221961	FC	On-Demand	Anodyne	NAMPT	43	39
C[C@@]12COC[C@@H]1CN(C(=O)NOCc1cccnc1)C2	ZINC000852221966	CD	On-Demand	Anodyne	CHRNA7	42	33
C[C@@]12COC[C@H]1CN(C(=O)NOCc1cccnc1)C2	ZINC000852221969	CD	On-Demand	Anodyne	CHRNA7	42	33
C=CC[C@@H]1CCCN(C(=O)NOCc2cccnc2)C1	ZINC000852221985	CF	On-Demand	Mild	GRIN2B	18	44
C=CC[C@@H]1CCCN(C(=O)NOCc2cccnc2)C1	ZINC000852221985	CF	On-Demand	Mild	CHRNA7	46	37
C=CC[C@H]1CCCN(C(=O)NOCc2cccnc2)C1	ZINC000852221986	CF	On-Demand	Mild	GRIN2B	18	44
C=CC[C@H]1CCCN(C(=O)NOCc2cccnc2)C1	ZINC000852221986	CF	On-Demand	Mild	CHRNA7	46	37
O=C(NOCc1cccnc1)N1CCOc2cc(Br)ccc2C1	ZINC000852221988	GF	On-Demand	Anodyne	CHRNA7	35	42
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NOCc1cccnc1	ZINC000852222004	FG	On-Demand	Anodyne	CHRNA7	47	42
N#CC[C@H]1CCCN(C(=O)NOCc2cccnc2)C1	ZINC000852222008	CD	On-Demand	Mild	CHRNA7	45	37
N#CC[C@@H]1CCCN(C(=O)NOCc2cccnc2)C1	ZINC000852222009	CD	On-Demand	Mild	CHRNA7	45	37
O=C(NOCc1cccnc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852222012	DD	On-Demand	Anodyne	CHRNA7	53	44
O=C(NOCc1cccnc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852222012	DD	On-Demand	Anodyne	C3AR1	41	41
O=C(NOCc1cccnc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852222012	DD	On-Demand	Anodyne	SLC6A5	16	42
O=C(NOCc1cccnc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852222012	DD	On-Demand	Anodyne	ACHP_LYMST	26	44
O=C(NOCc1cccnc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852222012	DD	On-Demand	Anodyne	NAMPT	31	40
O=C(NOCc1cccnc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852222013	DD	On-Demand	Anodyne	CHRNA7	53	44
O=C(NOCc1cccnc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852222013	DD	On-Demand	Anodyne	C3AR1	41	41
O=C(NOCc1cccnc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852222013	DD	On-Demand	Anodyne	SLC6A5	16	42
O=C(NOCc1cccnc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852222013	DD	On-Demand	Anodyne	ACHP_LYMST	26	44
O=C(NOCc1cccnc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852222013	DD	On-Demand	Anodyne	NAMPT	31	40
O=C(NOCc1cccnc1)N[C@@H]1C=CCC1	ZINC000852222018	BD	On-Demand	Anodyne	CHRNA7	52	43
O=C(NOCc1cccnc1)N[C@@H]1C=CCC1	ZINC000852222018	BD	On-Demand	Anodyne	ACHP_LYMST	26	43
O=C(NOCc1cccnc1)N[C@H]1C=CCC1	ZINC000852222019	BD	On-Demand	Anodyne	CHRNA7	52	43
O=C(NOCc1cccnc1)N[C@H]1C=CCC1	ZINC000852222019	BD	On-Demand	Anodyne	ACHP_LYMST	26	43
O=C(NOCc1cccnc1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852222020	CD	On-Demand	Anodyne	CHRNA7	54	42
O=C(NOCc1cccnc1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852222020	CD	On-Demand	Anodyne	ACHP_LYMST	24	42
O=C(NOCc1cccnc1)NC1CCC(C2CCC2)CC1	ZINC000852222021	DG	On-Demand	Anodyne	CHRNA7	50	41
O=C(NOCc1cccnc1)NC1CCC(C2CCC2)CC1	ZINC000852222021	DG	On-Demand	Anodyne	C3AR1	40	40
O=C(NOCc1cccnc1)NC1CCC(C2CCC2)CC1	ZINC000852222021	DG	On-Demand	Anodyne	ACHP_LYMST	25	41
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NOCc1cccnc1	ZINC000852222025	CF	On-Demand	Mild	CHRNA7	41	36
C=CC[C@H]1CCCC[C@@H]1NC(=O)NOCc1cccnc1	ZINC000852222026	CF	On-Demand	Mild	CHRNA7	41	36
C=CC[C@@H]1CCCC[C@H]1NC(=O)NOCc1cccnc1	ZINC000852222027	CF	On-Demand	Mild	CHRNA7	41	36
C=CC[C@H]1CCCC[C@H]1NC(=O)NOCc1cccnc1	ZINC000852222028	CF	On-Demand	Mild	CHRNA7	41	36
O=C(NOCc1cccnc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852222033	DF	On-Demand	Anodyne	CHRNA7	57	46
O=C(NOCc1cccnc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852222033	DF	On-Demand	Anodyne	C3AR1	31	40
O=C(NOCc1cccnc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852222034	DF	On-Demand	Anodyne	CHRNA7	57	46
O=C(NOCc1cccnc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852222034	DF	On-Demand	Anodyne	C3AR1	31	40
C[C@H]1CCC[C@@H](CNC(=O)NOCc2ccc(C(F)(F)F)cc2)O1	ZINC000852222044	EG	On-Demand	Anodyne	NAAA	18	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NOCc1cccnc1	ZINC000852222052	DE	On-Demand	Anodyne	CHRNA7	47	46
O=C(NOCc1cccnc1)N1CCc2nccnc2C1	ZINC000852222053	CD	On-Demand	Anodyne	CHRNA7	49	36
C[C@@H]1CN(C(=O)NOCc2ccc(C(F)(F)F)cc2)CCN1S(C)(=O)=O	ZINC000852222054	GD	On-Demand	Anodyne	EPHX2	19	40
COCc1csc(CNC(=O)NOCc2cccnc2)c1	ZINC000852222057	DE	On-Demand	Anodyne	NAMPT	45	39
CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NCc1ccc(OC)c(C#N)c1	ZINC000852222066	GF	On-Demand	Mild	PDE5A	30	41
O=C(NCc1cccnc1N1CCCC1)NOCc1cccnc1	ZINC000852222072	EE	On-Demand	Anodyne	SCN2A	20	48
O=C(NCc1cccnc1N1CCCC1)NOCc1cccnc1	ZINC000852222072	EE	On-Demand	Anodyne	CHRNA7	41	37
O=C(NCc1cccnc1N1CCCC1)NOCc1cccnc1	ZINC000852222072	EE	On-Demand	Anodyne	SCN10A	29	50
O=C(NCc1cccnc1N1CCCC1)NOCc1cccnc1	ZINC000852222072	EE	On-Demand	Anodyne	NAMPT	56	44
O=C(NOCc1cccnc1)N[C@H]1COC2(CCC2)C1	ZINC000852222073	CD	On-Demand	Anodyne	CHRNA7	40	34
O=C(NOCc1cccnc1)N[C@@H]1COC2(CCC2)C1	ZINC000852222074	CD	On-Demand	Anodyne	CHRNA7	40	34
N#CC[C@H]1CCCN(C(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222076	EG	On-Demand	Mild	LGMN	47	43
N#CC[C@@H]1CCCN(C(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222077	EG	On-Demand	Mild	LGMN	47	43
O=C(NCCOc1ncccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852222079	GD	On-Demand	Anodyne	RBP4	44	33
O=C(NCCOc1ncccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852222080	GD	On-Demand	Anodyne	RBP4	44	33
C[C@H]1CC(CNC(=O)NOCc2cccnc2)C[C@H](C)C1	ZINC000852222087	CF	On-Demand	Anodyne	CHRNA7	42	36
C[C@H]1CC(CNC(=O)NOCc2cccnc2)C[C@H](C)C1	ZINC000852222087	CF	On-Demand	Anodyne	NAMPT	46	39
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NOCc2cccnc2)C1	ZINC000852222088	CF	On-Demand	Anodyne	CHRNA7	42	36
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NOCc2cccnc2)C1	ZINC000852222088	CF	On-Demand	Anodyne	NAMPT	46	39
C[C@@H]1CC(CNC(=O)NOCc2cccnc2)C[C@@H](C)C1	ZINC000852222089	CF	On-Demand	Anodyne	CHRNA7	42	36
C[C@@H]1CC(CNC(=O)NOCc2cccnc2)C[C@@H](C)C1	ZINC000852222089	CF	On-Demand	Anodyne	NAMPT	46	39
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000852222092	IG	On-Demand	Mild	LPL	48	39
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000852222092	IG	On-Demand	Mild	TGM2	43	41
Cc1ccccc1C=NOCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000852222092	IG	On-Demand	Mild	F13A1	74	41
Cc1ccccc1C=NOCC(=O)N1CCCc2ccccc21	ZINC000852222109	DG	On-Demand	Mild	AVPR2	46	43
CC(C)(C)N1CC[C@@H]1CNC(=O)NOCc1cccnc1	ZINC000852222119	CD	On-Demand	Anodyne	GRIN2B	16	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NOCc1cccnc1	ZINC000852222119	CD	On-Demand	Anodyne	CHRNA7	50	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NOCc1cccnc1	ZINC000852222119	CD	On-Demand	Anodyne	ACHP_LYMST	24	40
CC(C)(C)N1CC[C@H]1CNC(=O)NOCc1cccnc1	ZINC000852222120	CD	On-Demand	Anodyne	GRIN2B	16	42
CC(C)(C)N1CC[C@H]1CNC(=O)NOCc1cccnc1	ZINC000852222120	CD	On-Demand	Anodyne	CHRNA7	50	40
CC(C)(C)N1CC[C@H]1CNC(=O)NOCc1cccnc1	ZINC000852222120	CD	On-Demand	Anodyne	ACHP_LYMST	24	40
O=C(NCC1CCN(C2CCOCC2)CC1)NOCc1cccnc1	ZINC000852222126	ED	On-Demand	Anodyne	GRIN2B	19	43
O=C(NCC1CCN(C2CCOCC2)CC1)NOCc1cccnc1	ZINC000852222126	ED	On-Demand	Anodyne	CHRNA7	53	43
O=C(NCC1CCN(C2CCOCC2)CC1)NOCc1cccnc1	ZINC000852222126	ED	On-Demand	Anodyne	ACHP_LYMST	26	43
O=C(NCC1CCN(C2CCOCC2)CC1)NOCc1cccnc1	ZINC000852222126	ED	On-Demand	Anodyne	NAMPT	53	42
C[C@@H]1CN(C(=O)NOCc2cccnc2)CCN1S(C)(=O)=O	ZINC000852222135	EC	On-Demand	Anodyne	CHRNA7	50	38
C[C@@H]1CN(C(=O)NOCc2cccnc2)CCN1S(C)(=O)=O	ZINC000852222135	EC	On-Demand	Anodyne	NAMPT	46	41
Cc1ccncc1CCNC(=O)NOCc1cccnc1	ZINC000852222141	CD	On-Demand	Anodyne	PTAFR	22	41
Cn1ncc(C2CCC2)c1CNC(=O)NOCc1cccnc1	ZINC000852222142	DE	On-Demand	Anodyne	CHRNA7	43	36
Cn1ncc(C2CCC2)c1CNC(=O)NOCc1cccnc1	ZINC000852222142	DE	On-Demand	Anodyne	NAMPT	42	39
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NOCc2cccnc2)O1	ZINC000852222144	GD	On-Demand	Reactive	NAMPT	29	41
O=C(NOCc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852222146	FG	On-Demand	Anodyne	KCNH2	44	44
O=C(NOCc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852222146	FG	On-Demand	Anodyne	CHRNA7	51	43
O=C(NOCc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852222146	FG	On-Demand	Anodyne	ACHP_LYMST	39	43
C=C[C@H](CO)NC(=O)NOCc1cccnc1	ZINC000852222148	BC	On-Demand	Mild	NAMPT	30	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@@H]1C=CCC1	ZINC000852222154	DG	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N[C@H]1C=CCC1	ZINC000852222155	DG	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852222156	GF	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852222156	GF	On-Demand	Anodyne	LUXR	15	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852222156	GF	On-Demand	Anodyne	TRAR	18	40
CC[C@@H](NC(=O)NOCc1cccnc1)C1CC1	ZINC000852222163	BE	On-Demand	Anodyne	PTAFR	21	41
CC[C@@H](NC(=O)NOCc1cccnc1)C1CC1	ZINC000852222163	BE	On-Demand	Anodyne	CHRNA7	44	37
CO[C@@H](C)CNC(=O)NOCc1cccnc1	ZINC000852222166	BC	On-Demand	Anodyne	CYSP_TRYCR	22	40
CO[C@@H](C)CNC(=O)NOCc1cccnc1	ZINC000852222166	BC	On-Demand	Anodyne	CAPN2	50	41
CO[C@@H](C)CNC(=O)NOCc1cccnc1	ZINC000852222166	BC	On-Demand	Anodyne	NAMPT	34	41
O=C(NOCc1cccnc1)N[C@H](CO)C1CCC1	ZINC000852222167	CC	On-Demand	Anodyne	CHRNA7	41	37
O=C(NOCc1cccnc1)N[C@@H](CO)C1CCC1	ZINC000852222168	CC	On-Demand	Anodyne	CHRNA7	41	37
O=C(NOCc1cccnc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852222172	DE	On-Demand	Anodyne	CHRNA7	47	43
O=C(NOCc1cccnc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852222172	DE	On-Demand	Anodyne	EPHX2	24	42
O=C(NOCc1cccnc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852222172	DE	On-Demand	Anodyne	ACHP_LYMST	23	43
O=C(NOCc1cccnc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852222172	DE	On-Demand	Anodyne	NAMPT	28	41
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852222175	BD	On-Demand	Anodyne	GRIN2B	18	48
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852222175	BD	On-Demand	Anodyne	CHRNA7	64	45
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852222175	BD	On-Demand	Anodyne	C3AR1	40	39
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852222175	BD	On-Demand	Anodyne	ACHP_LYMST	30	45
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852222175	BD	On-Demand	Anodyne	NAMPT	52	39
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852222176	BD	On-Demand	Anodyne	GRIN2B	18	48
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852222176	BD	On-Demand	Anodyne	CHRNA7	64	45
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852222176	BD	On-Demand	Anodyne	C3AR1	40	39
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852222176	BD	On-Demand	Anodyne	ACHP_LYMST	30	45
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852222176	BD	On-Demand	Anodyne	NAMPT	52	39
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@H]2C1	ZINC000852222177	BD	On-Demand	Anodyne	GRIN2B	18	48
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@H]2C1	ZINC000852222177	BD	On-Demand	Anodyne	CHRNA7	64	45
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@H]2C1	ZINC000852222177	BD	On-Demand	Anodyne	C3AR1	40	39
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@H]2C1	ZINC000852222177	BD	On-Demand	Anodyne	ACHP_LYMST	30	45
O=C(NOCc1cccnc1)N1CC[C@H]2C[C@H]2C1	ZINC000852222177	BD	On-Demand	Anodyne	NAMPT	52	39
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852222178	BD	On-Demand	Anodyne	GRIN2B	18	48
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852222178	BD	On-Demand	Anodyne	CHRNA7	64	45
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852222178	BD	On-Demand	Anodyne	C3AR1	40	39
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852222178	BD	On-Demand	Anodyne	ACHP_LYMST	30	45
O=C(NOCc1cccnc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852222178	BD	On-Demand	Anodyne	NAMPT	52	39
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NOCc1cccnc1	ZINC000852222185	ED	On-Demand	Anodyne	CHRNA7	40	36
O=C(NCCN1C[C@H]2CCCCN2C1=O)NOCc1cccnc1	ZINC000852222186	ED	On-Demand	Anodyne	CHRNA7	40	36
O=C(NCC1SCCS1)NOCc1cccnc1	ZINC000852222197	CD	On-Demand	Anodyne	CHRNA7	43	38
O=C(NCC1SCCS1)NOCc1cccnc1	ZINC000852222197	CD	On-Demand	Anodyne	NAMPT	35	40
CC(C)(C)C(F)(F)CNC(=O)NOCc1cccnc1	ZINC000852222198	CE	On-Demand	Anodyne	CYSP_TRYCR	18	40
CC(C)(C)C(F)(F)CNC(=O)NOCc1cccnc1	ZINC000852222198	CE	On-Demand	Anodyne	NAMPT	34	40
CC(C)(C)N1CC[C@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222203	FG	On-Demand	Anodyne	CCR2	38	40
CC(C)(C)N1CC[C@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222203	FG	On-Demand	Anodyne	SLC6A5	42	49
CC(C)(C)N1CC[C@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222203	FG	On-Demand	Anodyne	EPHX2	31	45
CC(C)(C)N1CC[C@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222203	FG	On-Demand	Anodyne	MCHR1	29	40
CC(C)(C)N1CC[C@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222203	FG	On-Demand	Anodyne	BIRC2	15	41
CC(C)(C)N1CC[C@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222203	FG	On-Demand	Anodyne	LIPG	40	37
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222204	FG	On-Demand	Anodyne	CCR2	38	40
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222204	FG	On-Demand	Anodyne	SLC6A5	42	49
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222204	FG	On-Demand	Anodyne	EPHX2	31	45
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222204	FG	On-Demand	Anodyne	MCHR1	29	40
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222204	FG	On-Demand	Anodyne	BIRC2	15	41
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1	ZINC000852222204	FG	On-Demand	Anodyne	LIPG	40	37
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852222211	FE	On-Demand	Anodyne	CCR2	41	38
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852222211	FE	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852222211	FE	On-Demand	Anodyne	MCHR1	16	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852222212	FE	On-Demand	Anodyne	CCR2	41	38
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852222212	FE	On-Demand	Anodyne	SLC6A5	32	40
O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852222212	FE	On-Demand	Anodyne	MCHR1	16	40
O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852222215	GF	On-Demand	Anodyne	SLC6A5	41	50
O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852222215	GF	On-Demand	Anodyne	EPHX2	32	42
O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852222215	GF	On-Demand	Anodyne	MCHR1	21	42
O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852222216	GF	On-Demand	Anodyne	SLC6A5	41	50
O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852222216	GF	On-Demand	Anodyne	EPHX2	32	42
O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852222216	GF	On-Demand	Anodyne	MCHR1	21	42
Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NOCc1cccnc1	ZINC000852222219	ED	On-Demand	Anodyne	CHRNA7	44	37
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(OC)c(C#N)c1	ZINC000852222223	DG	On-Demand	Mild	MT-ND1	23	42
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(OC)c(C#N)c1	ZINC000852222223	DG	On-Demand	Mild	CTRB_BOVIN	44	31
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852222233	GH	On-Demand	Anodyne	CCR3	26	43
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852222233	GH	On-Demand	Anodyne	CCR2	20	44
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852222233	GH	On-Demand	Anodyne	SLC6A5	34	42
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852222233	GH	On-Demand	Anodyne	MCHR1	23	40
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(C(F)(F)F)cc1	ZINC000852222233	GH	On-Demand	Anodyne	CACNA1I	67	45
Cn1ncc(C2CC2)c1CNC(=O)NOCc1cccnc1	ZINC000852222237	DD	On-Demand	Anodyne	CHRNA7	44	37
Cn1ncc(C2CC2)c1CNC(=O)NOCc1cccnc1	ZINC000852222237	DD	On-Demand	Anodyne	NAMPT	47	40
C[C@H]1CCC[C@@H](CNC(=O)NOCc2cccnc2)O1	ZINC000852222240	CD	On-Demand	Anodyne	CHRNA7	41	36
COc1cccc([C@]2(C)CCN(C(=O)NOCc3cccnc3)C2)c1	ZINC000852222245	EF	On-Demand	Anodyne	CHRNA7	36	42
O=C(NCCS(=O)(=O)CC(F)(F)F)NOCc1cccnc1	ZINC000852222249	EC	On-Demand	Anodyne	NAMPT	38	43
O=C(NCC1=CCCC1)NOCc1cccnc1	ZINC000852222252	BD	On-Demand	Anodyne	NAMPT	42	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(C#N)c3)C2)cc1	ZINC000852222258	GF	On-Demand	Mild	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(C#N)c3)C2)cc1	ZINC000852222258	GF	On-Demand	Mild	MCHR1	17	46
COc1ccc(N2CC[C@H](NC(=O)NOCC(C)C)C2)cc1	ZINC000852222274	DE	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)NOCC(C)C)C2)cc1	ZINC000852222274	DE	On-Demand	Clean	MTNR1B	15	48
COCCCOc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852222275	GE	On-Demand	Anodyne	DRD4	19	43
COCCCOc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852222275	GE	On-Demand	Anodyne	HRH2	45	46
COCCCOc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852222275	GE	On-Demand	Anodyne	FAAH	34	43
COCCCOc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852222275	GE	On-Demand	Anodyne	MCHR1	17	43
COCCCOc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852222275	GE	On-Demand	Anodyne	CCR8	26	41
COCCCOc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852222275	GE	On-Demand	Anodyne	PDS	49	35
COCCCOc1cccc(CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)c1	ZINC000852222348	GF	On-Demand	Anodyne	HRH2	30	43
O=C(NCc1cccc(F)n1)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852222441	FH	On-Demand	Anodyne	MAPK1	45	43
O=C(NCc1cccc(F)n1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852222463	CD	On-Demand	Anodyne	PDE8B	40	31
O=C(NCc1cccc(F)n1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852222464	CD	On-Demand	Anodyne	PDE8B	40	31
O=C(NCc1cccc(F)n1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852222465	CD	On-Demand	Anodyne	PDE8B	40	31
O=C(NCc1cccc(F)n1)N1CC[C@H]2COC[C@H]2C1	ZINC000852222466	CD	On-Demand	Anodyne	PDE8B	40	31
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NOCc1cccnc1	ZINC000852222472	CE	On-Demand	Mild	CHRNA7	46	38
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2cccc(F)n2)C1	ZINC000852222486	EF	On-Demand	Anodyne	PDE8B	43	33
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2cccc(F)n2)C1	ZINC000852222487	EF	On-Demand	Anodyne	PDE8B	43	33
C[C@H]1c2ccccc2OCCN1C(=O)NOCc1cccnc1	ZINC000852222504	DF	On-Demand	Anodyne	CHRNA7	48	39
COCCCOc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852222537	ED	On-Demand	Anodyne	HRH2	30	46
COCCCOc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852222537	ED	On-Demand	Anodyne	ROCK1	29	53
COCCCOc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852222537	ED	On-Demand	Anodyne	MTNR1A	26	40
COCCCOc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852222537	ED	On-Demand	Anodyne	MTNR1B	25	40
COCCCOc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852222537	ED	On-Demand	Anodyne	ROCK2	40	53
COCCCOc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852222537	ED	On-Demand	Anodyne	CRTM	48	33
COCCCOc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852222537	ED	On-Demand	Anodyne	PDS	58	38
Cc1ccccc1C=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852222538	HF	On-Demand	Mild	LPL	47	39
Cc1ccccc1C=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852222538	HF	On-Demand	Mild	TGM2	53	41
Cc1ccccc1C=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852222538	HF	On-Demand	Mild	F13A1	82	46
Cc1ccccc1C=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852222538	HF	On-Demand	Mild	AKR1C3	52	41
COC(=O)c1ccc(CNC(=O)NOCC(C)C)c(F)c1	ZINC000852222539	CD	On-Demand	Anodyne	BDKRB1	25	42
O=C(NCC1CCN(CC2CC2)CC1)NOCc1cccnc1	ZINC000852222540	DD	On-Demand	Anodyne	ACHE	16	44
O=C(NCC1CCN(CC2CC2)CC1)NOCc1cccnc1	ZINC000852222540	DD	On-Demand	Anodyne	GRIN2B	31	47
O=C(NCC1CCN(CC2CC2)CC1)NOCc1cccnc1	ZINC000852222540	DD	On-Demand	Anodyne	SIGMAR1	16	40
O=C(NCC1CCN(CC2CC2)CC1)NOCc1cccnc1	ZINC000852222540	DD	On-Demand	Anodyne	CHRNA7	50	42
O=C(NCC1CCN(CC2CC2)CC1)NOCc1cccnc1	ZINC000852222540	DD	On-Demand	Anodyne	CACNA1I	58	36
O=C(NCC1CCN(CC2CC2)CC1)NOCc1cccnc1	ZINC000852222540	DD	On-Demand	Anodyne	ACHP_LYMST	25	42
O=C(NCC1CCN(CC2CC2)CC1)NOCc1cccnc1	ZINC000852222540	DD	On-Demand	Anodyne	NAMPT	43	39
COCCCOc1cccc(CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852222551	DF	On-Demand	Anodyne	HRH2	32	43
COCCCOc1cccc(CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852222551	DF	On-Demand	Anodyne	ROCK2	29	44
COCCCOc1cccc(CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852222551	DF	On-Demand	Anodyne	PDS	55	35
COCCCOc1cccc(CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852222552	DF	On-Demand	Anodyne	HRH2	32	43
COCCCOc1cccc(CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852222552	DF	On-Demand	Anodyne	ROCK2	29	44
COCCCOc1cccc(CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852222552	DF	On-Demand	Anodyne	PDS	55	35
O=C(NOCc1cccnc1)N1CCn2ncc(Br)c2C1	ZINC000852222579	FD	On-Demand	Anodyne	CHRNA7	43	36
O=C(NCCOCCF)NOCc1cccnc1	ZINC000852222585	CC	On-Demand	Anodyne	NAMPT	26	40
O=C(NCc1cccc(F)n1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852222617	EE	On-Demand	Anodyne	PDE8B	44	34
O=C(NCc1cccc(F)n1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852222619	EE	On-Demand	Anodyne	PDE8B	44	34
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1cccc(F)n1	ZINC000852222669	CD	On-Demand	Anodyne	PDE8B	40	31
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1cccc(F)n1	ZINC000852222670	CD	On-Demand	Anodyne	PDE8B	40	31
O=C(NCc1cccc(F)n1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852222675	FG	On-Demand	Anodyne	SCD1	21	41
O=C(NCc1cccc(F)n1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852222675	FG	On-Demand	Anodyne	SCD	29	41
O=C(NCc1cccc(F)n1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852222675	FG	On-Demand	Anodyne	TRPM8	30	52
Cc1ccccc1C=NOCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852222713	JF	On-Demand	Mild	LPL	44	39
Cc1ccccc1C=NOCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852222713	JF	On-Demand	Mild	NR1H4	19	42
Cc1ccccc1C=NOCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000852222713	JF	On-Demand	Mild	F13A1	44	38
C[C@@H]1CCN(C(=O)NOCc2cccnc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852222735	FD	On-Demand	Anodyne	CHRNA7	47	39
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C(N)=O)no3)C2)cc1	ZINC000852222738	FC	On-Demand	Clean	MTNR1A	16	44
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C(N)=O)no3)C2)cc1	ZINC000852222738	FC	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C(N)=O)no3)C2)cc1	ZINC000852222738	FC	On-Demand	Clean	PDK1	40	34
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)SC)C2)cc1	ZINC000852222771	DE	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)SC)C2)cc1	ZINC000852222771	DE	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)SC)C2)cc1	ZINC000852222773	DE	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)SC)C2)cc1	ZINC000852222773	DE	On-Demand	Clean	MTNR1B	16	46
COCCCOc1cccc(CNC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852222780	EF	On-Demand	Anodyne	HRH2	29	44
COCCCOc1cccc(CNC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852222781	EF	On-Demand	Anodyne	HRH2	29	44
C#C[C@H](NC(=O)NCc1cccc(OCCCOC)c1)C1CCOCC1	ZINC000852222792	FE	On-Demand	Mild	HRH2	27	41
C#C[C@H](NC(=O)NCc1cccc(OCCCOC)c1)C1CCOCC1	ZINC000852222792	FE	On-Demand	Mild	ROCK2	22	42
C#C[C@@H](NC(=O)NCc1cccc(OCCCOC)c1)C1CCOCC1	ZINC000852222793	FE	On-Demand	Mild	HRH2	27	41
C#C[C@@H](NC(=O)NCc1cccc(OCCCOC)c1)C1CCOCC1	ZINC000852222793	FE	On-Demand	Mild	ROCK2	22	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)cc(OC)c3)C2)cc1	ZINC000852222804	FG	On-Demand	Clean	MMP13	20	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)cc(OC)c3)C2)cc1	ZINC000852222804	FG	On-Demand	Clean	MTNR1A	20	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)cc(OC)c3)C2)cc1	ZINC000852222804	FG	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)cc(OC)c3)C2)cc1	ZINC000852222804	FG	On-Demand	Clean	MCHR1	20	49
COCCCOc1cccc(CNC(=O)NCCC2SCCS2)c1	ZINC000852222835	FG	On-Demand	Anodyne	HRH2	34	48
COCCCOc1cccc(CNC(=O)NCCC2SCCS2)c1	ZINC000852222835	FG	On-Demand	Anodyne	ROCK2	22	46
COCCCOc1cccc(CNC(=O)NCCC2SCCS2)c1	ZINC000852222835	FG	On-Demand	Anodyne	PDS	42	34
O=C(NCc1cccc(F)n1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852222874	CE	On-Demand	Anodyne	PDE8B	42	33
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(F)n2)C1	ZINC000852222877	CD	On-Demand	Anodyne	PDE8B	42	35
COc1ccc(N2CC[C@H](NC(=O)NCC3(C4CC4)CCC3)C2)cc1	ZINC000852222886	EG	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(C4CC4)CCC3)C2)cc1	ZINC000852222886	EG	On-Demand	Clean	MTNR1B	19	45
CC(C)c1ccc2c(c1)CN(C(=O)NCc1cccc(F)n1)CC2	ZINC000852222902	EH	On-Demand	Anodyne	MAPK1	54	47
O=C(NCc1cccc(F)n1)N1CCC(c2ccon2)CC1	ZINC000852222912	DE	On-Demand	Anodyne	ETHR	58	33
O=C(NCc1cccc(F)n1)N1CCc2nccnc2C1	ZINC000852222918	CD	On-Demand	Anodyne	MAPK1	42	45
CO[C@@](C)(CNC(=O)NOCC(C)C)COCc1ccccc1	ZINC000852223066	DE	On-Demand	Anodyne	PAPA1_CARPA	52	35
CO[C@@](C)(CNC(=O)NOCC(C)C)COCc1ccccc1	ZINC000852223066	DE	On-Demand	Anodyne	CTSK	28	42
CO[C@@](C)(CNC(=O)NOCC(C)C)COCc1ccccc1	ZINC000852223066	DE	On-Demand	Anodyne	CAPNS1	60	34
CO[C@@](C)(CNC(=O)NOCC(C)C)COCc1ccccc1	ZINC000852223066	DE	On-Demand	Anodyne	CAPN1	72	39
CO[C@@](C)(CNC(=O)NOCC(C)C)COCc1ccccc1	ZINC000852223066	DE	On-Demand	Anodyne	CAPN2	101	35
CO[C@@](C)(CNC(=O)NOCC(C)C)COCc1ccccc1	ZINC000852223066	DE	On-Demand	Anodyne	NPR	71	38
CS[C@H](C)CNC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852223123	GH	On-Demand	Anodyne	GPR119	18	41
CS[C@H](C)CNC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852223125	GH	On-Demand	Anodyne	GPR119	18	41
COC(=O)N(C)CCNC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000852223168	DE	On-Demand	Mild	PAPA1_CARPA	43	36
COC(=O)N(C)CCNC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000852223168	DE	On-Demand	Mild	UTS2	59	40
COC(=O)N(C)CCNC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000852223169	DE	On-Demand	Mild	PAPA1_CARPA	43	36
COC(=O)N(C)CCNC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000852223169	DE	On-Demand	Mild	UTS2	59	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1cccc(F)n1	ZINC000852223177	CF	On-Demand	Anodyne	PDE8B	43	34
CCC(CC)(CNC(=O)NOCc1cccnc1)c1ccc(F)cc1	ZINC000852223178	EH	On-Demand	Anodyne	CACNA1G	38	43
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852223179	FF	On-Demand	Anodyne	FKBP1A	15	41
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852223179	FF	On-Demand	Anodyne	CHRNA7	49	50
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852223179	FF	On-Demand	Anodyne	SSTR3	32	47
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852223179	FF	On-Demand	Anodyne	ACHP_LYMST	25	50
O=C(NOCc1cccnc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852223179	FF	On-Demand	Anodyne	NAMPT	40	41
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)NCc1cccc(F)n1	ZINC000852223190	DE	On-Demand	Anodyne	PDE8B	40	32
C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)NCc1cccc(F)n1	ZINC000852223191	DE	On-Demand	Anodyne	PDE8B	40	32
O=C(NCc1cccc(F)n1)NCC1CCN(CC2CC2)CC1	ZINC000852223222	DE	On-Demand	Anodyne	HTR4	33	40
O=C(NCc1cccc(F)n1)NCC1CCN(CC2CC2)CC1	ZINC000852223222	DE	On-Demand	Anodyne	CCR3	40	38
O=C(NCc1cccc(F)n1)NCC1CCN(CC2CC2)CC1	ZINC000852223222	DE	On-Demand	Anodyne	PDE8B	41	33
O=C(NCc1cccc(F)n1)NCC1CCN(CC2CC2)CC1	ZINC000852223222	DE	On-Demand	Anodyne	CACNA1I	59	36
O=C(NCc1cccc(F)n1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852223245	DF	On-Demand	Anodyne	EPHX2	41	41
O=C(NCc1cccc(F)n1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852223245	DF	On-Demand	Anodyne	PDE8B	40	33
O=C(NOCc1cccnc1)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852223252	DD	On-Demand	Anodyne	CHRNA7	44	37
O=C(NOCc1cccnc1)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852223253	DD	On-Demand	Anodyne	CHRNA7	44	37
CS[C@H](C)CNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852223303	GH	On-Demand	Anodyne	GPR119	28	45
CS[C@H](C)CNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852223305	GH	On-Demand	Anodyne	GPR119	28	45
COCCCOc1cccc(CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852223321	FF	On-Demand	Reactive	HRH2	28	41
COCCCOc1cccc(CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852223321	FF	On-Demand	Reactive	F10	47	31
COCCCOc1cccc(CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852223321	FF	On-Demand	Reactive	ROCK2	34	47
COCCCOc1cccc(CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852223321	FF	On-Demand	Reactive	PDS	65	37
COCCCOc1cccc(CNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852223330	FC	On-Demand	Reactive	HRH2	31	40
COCCCOc1cccc(CNC(=O)NNC(=O)c2cccc(F)n2)c1	ZINC000852223353	GD	On-Demand	Reactive	MMP13	26	41
COCCCOc1cccc(CNC(=O)NNC(=O)c2cccc(F)n2)c1	ZINC000852223353	GD	On-Demand	Reactive	ROCK2	31	47
COCCCOc1cccc(CNC(=O)NNC(=O)c2cccc(F)n2)c1	ZINC000852223353	GD	On-Demand	Reactive	PDS	48	35
Cc1ccccc1C=NOCC(=O)NC1CCCCCCC1	ZINC000852223365	DH	On-Demand	Mild	EPHX2	19	44
N#CCC[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852223368	GI	On-Demand	Mild	ADRB3	18	42
N#CCC[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852223369	GI	On-Demand	Mild	ADRB3	18	42
N#CCC[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852223370	GI	On-Demand	Mild	ADRB3	18	42
N#CCC[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852223371	GI	On-Demand	Mild	ADRB3	18	42
O=C(NCc1cccc(F)n1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852223377	FF	On-Demand	Anodyne	SSTR3	37	48
O=C(NCc1cccc(F)n1)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852223392	GG	On-Demand	Anodyne	PDE8B	45	35
O=C(NCc1cccc(F)n1)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852223392	GG	On-Demand	Anodyne	NPFFR1	42	34
O=C(NCc1cccc(F)n1)NC[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852223393	GG	On-Demand	Anodyne	PDE8B	45	35
O=C(NCc1cccc(F)n1)NC[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852223393	GG	On-Demand	Anodyne	NPFFR1	42	34
Cc1ccccc1C=NOCC(=O)Nc1c(C)cccc1C(C)C	ZINC000852223398	DI	On-Demand	Mild	SOAT1	52	40
O=C(NCc1cccc(F)n1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852223412	GH	On-Demand	Anodyne	RPA1	44	32
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1cccnc1	ZINC000852223414	DD	On-Demand	Anodyne	GRIN2B	15	41
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1cccnc1	ZINC000852223414	DD	On-Demand	Anodyne	CCR3	57	36
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1cccnc1	ZINC000852223414	DD	On-Demand	Anodyne	CHRNA7	45	38
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1cccnc1	ZINC000852223414	DD	On-Demand	Anodyne	NAMPT	40	39
COCCN(CCF)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000852223449	DF	On-Demand	Mild	UTS2	53	37
N#CCC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852223451	FF	On-Demand	Mild	CTSS	15	40
N#CCC[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852223452	FF	On-Demand	Mild	CTSS	15	40
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NCc2cccc(F)n2)C1	ZINC000852223454	CG	On-Demand	Anodyne	PDE8B	42	33
C[C@@H]1CC(CNC(=O)NCc2cccc(F)n2)C[C@@H](C)C1	ZINC000852223455	CG	On-Demand	Anodyne	PDE8B	42	33
COc1cccc([C@]2(C)CCN(C(=O)NOCC(C)C)C2)c1	ZINC000852223459	DF	On-Demand	Anodyne	DRD4	40	30
COc1cccc([C@]2(C)CCN(C(=O)NOCC(C)C)C2)c1	ZINC000852223459	DF	On-Demand	Anodyne	SOAT1	15	40
COC(=O)c1nc(CNC(=O)N[C@@H](C)CC(C)C)ccc1Cl	ZINC000852223520	EF	On-Demand	Anodyne	ANPEP	17	42
COC(=O)c1nc(CNC(=O)N[C@H](C)CC(C)C)ccc1Cl	ZINC000852223521	EF	On-Demand	Anodyne	ANPEP	17	42
COCCCOc1cccc(CNC(=O)NCC2SCCS2)c1	ZINC000852223553	FF	On-Demand	Anodyne	HRH2	29	45
COCCCOc1cccc(CNC(=O)NCC2SCCS2)c1	ZINC000852223553	FF	On-Demand	Anodyne	ROCK2	25	47
COCCCOc1cccc(CNC(=O)NCC2SCCS2)c1	ZINC000852223553	FF	On-Demand	Anodyne	PDS	46	35
C[C@H]1CC(CNC(=O)NCc2cccc(F)n2)C[C@H](C)C1	ZINC000852223556	CG	On-Demand	Anodyne	PDE8B	42	33
Cc1ccccc1C=NOCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852223581	EH	On-Demand	Mild	IMDH_CRYPV	21	42
COCCCOc1cccc(CNC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852223599	GE	On-Demand	Anodyne	OXTR	15	40
COc1cccc(OC)c1CNC(=O)NOCC(C)C	ZINC000852223607	CE	On-Demand	Anodyne	ANPEP	15	44
O=C(NCc1cccc(F)n1)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852223618	FG	On-Demand	Anodyne	PDE8B	41	32
O=C(NCc1cccc(F)n1)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852223620	FG	On-Demand	Anodyne	PDE8B	41	32
O=C(NCc1cccc(F)n1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000852223671	FE	On-Demand	Anodyne	PDE8B	42	33
C[C@H]1c2ccccc2OCCN1C(=O)NCc1cccc(F)n1	ZINC000852223688	DF	On-Demand	Anodyne	PDE8B	40	33
NS(=O)(=O)c1cc2c(s1)CCN(C(=O)NOCc1cccnc1)C2	ZINC000852223695	FC	On-Demand	Anodyne	CHRNA7	41	34
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc(F)n2)O1	ZINC000852223710	EB	On-Demand	Reactive	PDE8B	41	31
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc(F)n2)O1	ZINC000852223711	EB	On-Demand	Reactive	PDE8B	41	31
O=C(NCc1cccc(F)n1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852223723	FH	On-Demand	Anodyne	KCNH2	44	42
O=C(NCc1cccc(F)n1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852223723	FH	On-Demand	Anodyne	EPHX2	21	41
O=C(NCc1cccc(F)n1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852223723	FH	On-Demand	Anodyne	PDE8B	43	34
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852223732	EG	On-Demand	Anodyne	EPHX2	15	41
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852223733	EG	On-Demand	Anodyne	EPHX2	15	41
O=C(NCc1cccc(F)n1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852223746	FE	On-Demand	Anodyne	DRD4	19	41
O=C(NCc1cccc(F)n1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852223746	FE	On-Demand	Anodyne	ACHE	31	45
O=C(NCc1cccc(F)n1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852223746	FE	On-Demand	Anodyne	SIGMAR1	31	44
O=C(NCc1cccc(F)n1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852223746	FE	On-Demand	Anodyne	CCR3	54	45
O=C(NCc1cccc(F)n1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852223746	FE	On-Demand	Anodyne	PDE8B	40	33
O=C(NCc1cccc(F)n1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852223746	FE	On-Demand	Anodyne	CACNA1I	60	41
O=C(NOCc1cccnc1)N1CCC[C@H](C2CCC2)C1	ZINC000852223748	CF	On-Demand	Anodyne	FKBP1A	19	41
O=C(NOCc1cccnc1)N1CCC[C@H](C2CCC2)C1	ZINC000852223748	CF	On-Demand	Anodyne	GRIN2B	17	43
O=C(NOCc1cccnc1)N1CCC[C@H](C2CCC2)C1	ZINC000852223748	CF	On-Demand	Anodyne	CHRNA7	56	42
O=C(NOCc1cccnc1)N1CCC[C@H](C2CCC2)C1	ZINC000852223748	CF	On-Demand	Anodyne	ACHP_LYMST	28	42
O=C(NOCc1cccnc1)N1CCC[C@H](C2CCC2)C1	ZINC000852223748	CF	On-Demand	Anodyne	NAMPT	40	39
O=C(NOCc1cccnc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852223749	CF	On-Demand	Anodyne	FKBP1A	19	41
O=C(NOCc1cccnc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852223749	CF	On-Demand	Anodyne	GRIN2B	17	43
O=C(NOCc1cccnc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852223749	CF	On-Demand	Anodyne	CHRNA7	56	42
O=C(NOCc1cccnc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852223749	CF	On-Demand	Anodyne	ACHP_LYMST	28	42
O=C(NOCc1cccnc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852223749	CF	On-Demand	Anodyne	NAMPT	40	39
C[C@@]1(C#N)CCN(C(=O)NOCc2cccnc2)C1	ZINC000852223784	CD	On-Demand	Mild	PTAFR	25	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)cc1	ZINC000852223802	GH	On-Demand	Mild	CCR5	19	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)cc1	ZINC000852223802	GH	On-Demand	Mild	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)cc1	ZINC000852223804	GH	On-Demand	Mild	CCR5	19	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)cc1	ZINC000852223804	GH	On-Demand	Mild	MTNR1B	15	44
O=C(NCc1cccc(F)n1)NCc1cccnc1N1CCCC1	ZINC000852223815	EE	On-Demand	Anodyne	TRPV1	19	42
O=C(NCc1cccc(F)n1)NCc1cccnc1N1CCCC1	ZINC000852223815	EE	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccc(F)n1)NCc1cccnc1N1CCCC1	ZINC000852223815	EE	On-Demand	Anodyne	SCN10A	20	47
O=C(NCc1cccc(F)n1)NC[C@@H]1C[C@H](c2ccccc2)CO1	ZINC000852223816	EF	On-Demand	Anodyne	PDE8B	43	38
C[C@@H]1CN(C(=O)NOCc2cccnc2)C[C@H](CC(F)(F)F)O1	ZINC000852223825	EE	On-Demand	Anodyne	NAMPT	20	40
C[C@@H]1CN(C(=O)NOCc2cccnc2)C[C@@H](CC(F)(F)F)O1	ZINC000852223826	EE	On-Demand	Anodyne	NAMPT	20	40
O=C(NOCc1cccnc1)N1CCC(c2ccon2)CC1	ZINC000852223890	DE	On-Demand	Anodyne	GRIN2B	17	43
O=C(NOCc1cccnc1)N1CCC(c2ccon2)CC1	ZINC000852223890	DE	On-Demand	Anodyne	CHRNA7	49	39
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NOCc1cccnc1	ZINC000852223896	FD	On-Demand	Clean	CHRNA7	49	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NOCc1cccnc1	ZINC000852223896	FD	On-Demand	Clean	STAT6	25	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NOCc1cccnc1	ZINC000852223896	FD	On-Demand	Clean	ACHP_LYMST	25	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NOCc1cccnc1	ZINC000852223896	FD	On-Demand	Clean	NAMPT	81	45
O=C(NOCc1cccnc1)N1CCOc2ccc(O)cc2C1	ZINC000852223897	DD	On-Demand	Anodyne	CHRNA7	39	43
O=C(NCc1cccc(F)n1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852223925	GD	On-Demand	Anodyne	PDE8B	43	34
O=C(NOCc1cccnc1)N1CC2CC1(c1ccccc1)C2	ZINC000852223926	DF	On-Demand	Anodyne	CHRNA7	41	40
O=C(NOCc1cccnc1)N1CC2CC1(c1ccccc1)C2	ZINC000852223926	DF	On-Demand	Anodyne	ACHP_LYMST	22	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223927	EE	On-Demand	Anodyne	GRIN2B	19	45
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223927	EE	On-Demand	Anodyne	SIGMAR1	18	46
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223927	EE	On-Demand	Anodyne	CHRNA7	52	44
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223927	EE	On-Demand	Anodyne	ACHP_LYMST	25	44
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223927	EE	On-Demand	Anodyne	NAMPT	40	40
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223928	EE	On-Demand	Anodyne	GRIN2B	19	45
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223928	EE	On-Demand	Anodyne	SIGMAR1	18	46
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223928	EE	On-Demand	Anodyne	CHRNA7	52	44
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223928	EE	On-Demand	Anodyne	ACHP_LYMST	25	44
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1cccnc1	ZINC000852223928	EE	On-Demand	Anodyne	NAMPT	40	40
Cc1ccccc1C=NOCC(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852223964	EI	On-Demand	Mild	MTTP	52	35
Cc1ccccc1C=NOCC(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852223964	EI	On-Demand	Mild	EPHX2	16	40
O=C(NOCc1cccnc1)N1CC[C@H]1c1ccc(Br)cc1	ZINC000852223969	FG	On-Demand	Anodyne	CHRNA7	60	46
O=C(NOCc1cccnc1)N1CC[C@H]1c1ccc(Br)cc1	ZINC000852223969	FG	On-Demand	Anodyne	ACHP_LYMST	27	46
O=C(NOCc1cccnc1)N1CC[C@@H]1c1ccc(Br)cc1	ZINC000852223970	FG	On-Demand	Anodyne	CHRNA7	60	46
O=C(NOCc1cccnc1)N1CC[C@@H]1c1ccc(Br)cc1	ZINC000852223970	FG	On-Demand	Anodyne	ACHP_LYMST	27	46
O=C(NCc1cccc(F)n1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852223978	BD	On-Demand	Anodyne	PDE8B	41	32
O=C(NCc1cccc(F)n1)N1CC[C@H]2C[C@H]2C1	ZINC000852223979	BD	On-Demand	Anodyne	PDE8B	41	32
O=C(NCc1cccc(F)n1)N1CC[C@H]2C[C@@H]2C1	ZINC000852223980	BD	On-Demand	Anodyne	PDE8B	41	32
O=C(NCc1cccc(F)n1)N1CC[C@@H]2C[C@H]2C1	ZINC000852223981	BD	On-Demand	Anodyne	PDE8B	41	32
O=C(NCc1cccc(F)n1)NCC1CCN(C2CCOCC2)CC1	ZINC000852223983	FD	On-Demand	Anodyne	PDE8B	40	33
O=C(NCc1cccc(F)n1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852223984	DE	On-Demand	Anodyne	CCR3	86	39
O=C(NCc1cccc(F)n1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852223984	DE	On-Demand	Anodyne	PDE8B	41	33
O=C(NCc1cccc(F)n1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852223985	DE	On-Demand	Anodyne	CCR3	86	39
O=C(NCc1cccc(F)n1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852223985	DE	On-Demand	Anodyne	PDE8B	41	33
O=C(NOCc1cccnc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852223992	CD	On-Demand	Anodyne	CHRNA7	41	37
O=C(NOCc1cccnc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852223993	CD	On-Demand	Anodyne	CHRNA7	41	37
CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(F)n2)C1	ZINC000852223994	CD	On-Demand	Anodyne	EPHX2	27	41
CN(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852223995	EF	On-Demand	Anodyne	EPHX2	40	47
CN(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852223998	EF	On-Demand	Anodyne	EPHX2	40	47
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224040	FE	On-Demand	Anodyne	DRD4	16	41
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224040	FE	On-Demand	Anodyne	ACHE	22	42
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224040	FE	On-Demand	Anodyne	SIGMAR1	26	41
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224040	FE	On-Demand	Anodyne	SSTR5	54	36
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224040	FE	On-Demand	Anodyne	CACNA1I	61	40
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224041	FE	On-Demand	Anodyne	DRD4	16	41
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224041	FE	On-Demand	Anodyne	ACHE	22	42
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224041	FE	On-Demand	Anodyne	SIGMAR1	26	41
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224041	FE	On-Demand	Anodyne	SSTR5	54	36
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852224041	FE	On-Demand	Anodyne	CACNA1I	61	40
N#CCC[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccccc1	ZINC000852224046	GE	On-Demand	Mild	CTSF	43	33
N#CCC[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccccc1	ZINC000852224047	GE	On-Demand	Mild	CTSF	43	33
O=C(NCc1cccc(F)n1)N1CC2CC1(c1ccccc1)C2	ZINC000852224052	DG	On-Demand	Anodyne	PDE8B	41	32
O=C(NOCc1cccnc1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852224066	FG	On-Demand	Anodyne	SCD1	33	54
O=C(NOCc1cccnc1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852224066	FG	On-Demand	Anodyne	SCD	50	46
O=C(NOCc1cccnc1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852224066	FG	On-Demand	Anodyne	TRPM8	15	48
CN(C)[C@@H]1CCC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852224073	EE	On-Demand	Anodyne	TRPV1	15	41
CN(C)[C@@H]1CCC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852224073	EE	On-Demand	Anodyne	SCN2A	17	42
CN(C)[C@@H]1CCC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852224073	EE	On-Demand	Anodyne	EPHX2	17	41
CN(C)[C@@H]1CCC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852224073	EE	On-Demand	Anodyne	SCN10A	19	42
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852224074	EE	On-Demand	Anodyne	TRPV1	15	41
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852224074	EE	On-Demand	Anodyne	SCN2A	17	42
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852224074	EE	On-Demand	Anodyne	EPHX2	17	41
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852224074	EE	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccc(F)n1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852224096	GH	On-Demand	Anodyne	DRD3	25	41
O=C(NCc1cccc(F)n1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852224096	GH	On-Demand	Anodyne	MC4R	67	37
O=C(NCc1cccc(F)n1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852224096	GH	On-Demand	Anodyne	CXCR3	19	43
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC(F)(F)c2ccc(F)cc2)C1	ZINC000852224142	EG	On-Demand	Anodyne	EPHX2	27	40
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC(F)(F)c2ccc(F)cc2)C1	ZINC000852224143	EG	On-Demand	Anodyne	EPHX2	27	40
CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852224341	EE	On-Demand	Anodyne	DRD2	19	43
CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852224341	EE	On-Demand	Anodyne	DRD4	15	40
CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852224341	EE	On-Demand	Anodyne	SIGMAR1	24	42
CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852224341	EE	On-Demand	Anodyne	MBTPS1	40	32
CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852224342	EE	On-Demand	Anodyne	DRD2	19	43
CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852224342	EE	On-Demand	Anodyne	DRD4	15	40
CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852224342	EE	On-Demand	Anodyne	SIGMAR1	24	42
CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852224342	EE	On-Demand	Anodyne	MBTPS1	40	32
CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852224343	EE	On-Demand	Anodyne	DRD2	19	43
CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852224343	EE	On-Demand	Anodyne	DRD4	15	40
CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852224343	EE	On-Demand	Anodyne	SIGMAR1	24	42
CN(C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852224343	EE	On-Demand	Anodyne	MBTPS1	40	32
CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852224344	EE	On-Demand	Anodyne	DRD2	19	43
CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852224344	EE	On-Demand	Anodyne	DRD4	15	40
CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852224344	EE	On-Demand	Anodyne	SIGMAR1	24	42
CN(C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852224344	EE	On-Demand	Anodyne	MBTPS1	40	32
Cc1ccccc1C=NOCC(=O)NC1CCCCC1	ZINC000852224398	CF	On-Demand	Mild	EPHX2	19	44
CN(C)[C@@H]1CCC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852224441	FH	On-Demand	Anodyne	KCNH2	40	38
CN(C)[C@@H]1CCC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852224441	FH	On-Demand	Anodyne	EPHX2	24	41
CN(C)[C@@H]1CCC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852224441	FH	On-Demand	Anodyne	GLRA1	42	32
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852224444	FH	On-Demand	Anodyne	KCNH2	40	38
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852224444	FH	On-Demand	Anodyne	EPHX2	24	41
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852224444	FH	On-Demand	Anodyne	GLRA1	42	32
C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CC2CC1(c1ccccc1)C2	ZINC000852224523	FG	On-Demand	Anodyne	FPR1	43	37
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852224524	EF	On-Demand	Anodyne	EPHX2	28	42
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852224524	EF	On-Demand	Anodyne	SFRP1	70	34
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852224524	EF	On-Demand	Anodyne	WNT3	68	34
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)C1	ZINC000852224525	EF	On-Demand	Anodyne	EPHX2	28	42
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)C1	ZINC000852224525	EF	On-Demand	Anodyne	SFRP1	70	34
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](N(C)C)C2)C1	ZINC000852224525	EF	On-Demand	Anodyne	WNT3	68	34
CN(C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852224526	EF	On-Demand	Anodyne	EPHX2	28	42
CN(C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852224526	EF	On-Demand	Anodyne	SFRP1	70	34
CN(C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852224526	EF	On-Demand	Anodyne	WNT3	68	34
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)C1	ZINC000852224527	EF	On-Demand	Anodyne	EPHX2	28	42
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)C1	ZINC000852224527	EF	On-Demand	Anodyne	SFRP1	70	34
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCC[C@@H](N(C)C)C2)C1	ZINC000852224527	EF	On-Demand	Anodyne	WNT3	68	34
COc1cccc(C(C)(C)CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852224542	GE	On-Demand	Anodyne	MTNR1A	35	40
COC(=O)N(C)CCNC(=O)NCC(C)(C)c1cccc(OC)c1	ZINC000852224560	ED	On-Demand	Anodyne	MTNR1A	43	40
COC(=O)N(C)CCNC(=O)NCC(C)(C)c1cccc(OC)c1	ZINC000852224560	ED	On-Demand	Anodyne	MTNR1B	40	40
COc1cccc(C(C)(C)CNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852224574	FF	On-Demand	Anodyne	DRD4	40	31
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852224586	DE	On-Demand	Anodyne	SMO	29	42
CN(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852224587	DE	On-Demand	Anodyne	SMO	29	42
COCCN(CCF)C(=O)NCC(C)(C)c1cccc(OC)c1	ZINC000852224614	EF	On-Demand	Anodyne	DRD4	40	31
COC(=O)c1ccc(CNC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)c(F)c1	ZINC000852224668	GF	On-Demand	Anodyne	BDKRB1	25	43
COC(=O)c1ccc(CNC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c(F)c1	ZINC000852224669	GF	On-Demand	Anodyne	BDKRB1	25	43
C=C[C@H](CO)NC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000852224674	DC	On-Demand	Mild	CTSK	16	45
C=C[C@H](CO)NC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C	ZINC000852224675	DC	On-Demand	Mild	CTSK	16	45
COc1cccc(C(C)(C)CNC(=O)NNc2ccc(Cl)cn2)c1	ZINC000852224719	EG	On-Demand	Reactive	F10	49	32
CN(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1	ZINC000852224749	GF	On-Demand	Anodyne	SSTR3	30	43
CN(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1	ZINC000852224749	GF	On-Demand	Anodyne	EPHX2	15	40
CN(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1	ZINC000852224750	GF	On-Demand	Anodyne	SSTR3	30	43
CN(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)C1	ZINC000852224750	GF	On-Demand	Anodyne	EPHX2	15	40
COc1cccc(C(C)(C)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852224779	GF	On-Demand	Anodyne	DRD4	41	32
COc1cccc(C(C)(C)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852224780	GF	On-Demand	Anodyne	DRD4	41	32
COc1cccc(C(C)(C)CNC(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852224865	EC	On-Demand	Reactive	DRD4	41	31
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852224964	EE	On-Demand	Anodyne	CACNA1I	46	32
CN(C)[C@@H]1CCC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852224968	EE	On-Demand	Anodyne	CACNA1I	46	32
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000852224980	GC	On-Demand	Reactive	SIRT3	48	38
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000852224980	GC	On-Demand	Reactive	SIRT2	45	38
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000852224980	GC	On-Demand	Reactive	SIRT1	43	38
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852224982	GC	On-Demand	Reactive	SIRT3	48	38
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852224982	GC	On-Demand	Reactive	SIRT2	45	38
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852224982	GC	On-Demand	Reactive	SIRT1	43	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CTSB	47	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	PAPA1_CARPA	55	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CTSG	19	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CTSK	34	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CTSL	45	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CTRB1	20	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CAPNS1	61	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CELA2A	17	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CTSS	21	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CAPN1	62	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CAPN2	97	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	CTRB_BOVIN	54	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852224986	FF	On-Demand	Mild	NPR	69	41
COC1CC(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224994	EF	On-Demand	Anodyne	CTSB	42	37
COC1CC(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224994	EF	On-Demand	Anodyne	CAPNS1	59	35
COC1CC(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224994	EF	On-Demand	Anodyne	CAPN1	66	37
COC1CC(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224994	EF	On-Demand	Anodyne	CAPN2	100	35
COC1CC(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224994	EF	On-Demand	Anodyne	NPR	74	34
COC1CC(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224997	EF	On-Demand	Anodyne	CTSB	42	37
COC1CC(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224997	EF	On-Demand	Anodyne	CAPNS1	59	35
COC1CC(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224997	EF	On-Demand	Anodyne	CAPN1	66	37
COC1CC(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224997	EF	On-Demand	Anodyne	CAPN2	100	35
COC1CC(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852224997	EF	On-Demand	Anodyne	NPR	74	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	KLK3	53	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	CTSB	55	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	PAPA1_CARPA	53	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	CYSP_TRYCR	47	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	CTSK	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	CTSL	40	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	CAPNS1	64	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	CAPN1	74	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	CAPN2	115	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccoc1	ZINC000852225020	EF	On-Demand	Anodyne	NPR	73	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225030	GC	On-Demand	Clean	MMP13	26	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225030	GC	On-Demand	Clean	MMP3	30	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225030	GC	On-Demand	Clean	MMP9	20	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225030	GC	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225030	GC	On-Demand	Clean	MMP7	29	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225030	GC	On-Demand	Clean	MMP1	26	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225032	GC	On-Demand	Clean	MMP13	26	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225032	GC	On-Demand	Clean	MMP3	30	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225032	GC	On-Demand	Clean	MMP9	20	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225032	GC	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225032	GC	On-Demand	Clean	MMP7	29	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852225032	GC	On-Demand	Clean	MMP1	26	41
CCOc1cc(Cl)ccc1CNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852225054	GF	On-Demand	Anodyne	EPHX2	17	46
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(c2ccccn2)C1	ZINC000852225077	GF	On-Demand	Anodyne	DRD4	19	41
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(c2ccccn2)C1	ZINC000852225078	GF	On-Demand	Anodyne	DRD4	19	41
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852225079	GF	On-Demand	Anodyne	DRD4	19	41
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852225080	GF	On-Demand	Anodyne	DRD4	19	41
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CNC(=O)OC(C)(C)C	ZINC000852225146	GE	On-Demand	Anodyne	ACE	17	42
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CNC(=O)OC(C)(C)C	ZINC000852225146	GE	On-Demand	Anodyne	PYGL	33	45
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)CNC(=O)OC(C)(C)C	ZINC000852225146	GE	On-Demand	Anodyne	PYGM	29	45
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)N[C@@H]2CCOC2)C1	ZINC000852225215	GF	On-Demand	Anodyne	EPHX2	26	44
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)N[C@H]2CCOC2)C1	ZINC000852225216	GF	On-Demand	Anodyne	EPHX2	26	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	KLK3	44	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	CTSB	53	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	CYSP_TRYCR	51	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	CTSK	33	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	CTSL	40	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	SCN2A	17	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	CAPNS1	61	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	CAPN1	76	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	CAPN2	118	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	SCN10A	24	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	NPR	71	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852225218	GG	On-Demand	Anodyne	SLC12A5	67	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	FKBP1A	17	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	CTRA_BOVIN	61	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	CTSG	41	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	PREP	17	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	CAPNS1	51	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	CELA2A	50	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	CAPN1	51	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	CAPN2	75	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	NPR	57	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852225220	FF	On-Demand	Anodyne	SLC12A5	58	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	FKBP1A	17	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	CTRA_BOVIN	61	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	CTSG	41	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	PREP	17	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	CAPNS1	51	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	CELA2A	50	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	CAPN1	51	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	CAPN2	75	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	NPR	57	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852225222	FF	On-Demand	Anodyne	SLC12A5	58	34
COC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225232	GE	On-Demand	Anodyne	CTSK	22	41
COC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225232	GE	On-Demand	Anodyne	CAPNS1	51	31
COC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225232	GE	On-Demand	Anodyne	CAPN1	44	38
COC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225232	GE	On-Demand	Anodyne	CAPN2	61	33
COC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225232	GE	On-Demand	Anodyne	NPR	58	31
COC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225233	GE	On-Demand	Anodyne	CTSK	22	41
COC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225233	GE	On-Demand	Anodyne	CAPNS1	51	31
COC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225233	GE	On-Demand	Anodyne	CAPN1	44	38
COC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225233	GE	On-Demand	Anodyne	CAPN2	61	33
COC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225233	GE	On-Demand	Anodyne	NPR	58	31
COC[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225234	GE	On-Demand	Anodyne	CTSK	22	41
COC[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225234	GE	On-Demand	Anodyne	CAPNS1	51	31
COC[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225234	GE	On-Demand	Anodyne	CAPN1	44	38
COC[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225234	GE	On-Demand	Anodyne	CAPN2	61	33
COC[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225234	GE	On-Demand	Anodyne	NPR	58	31
COC[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225235	GE	On-Demand	Anodyne	CTSK	22	41
COC[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225235	GE	On-Demand	Anodyne	CAPNS1	51	31
COC[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225235	GE	On-Demand	Anodyne	CAPN1	44	38
COC[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225235	GE	On-Demand	Anodyne	CAPN2	61	33
COC[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225235	GE	On-Demand	Anodyne	NPR	58	31
CCOc1cc(Cl)ccc1CNC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852225238	GD	On-Demand	Reactive	P2RX7	34	42
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	MME	33	40
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	KLK3	62	35
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	CTSB	50	43
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	PAPA1_CARPA	66	37
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	CTSK	31	40
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	CTSL	30	40
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	CAPNS1	62	36
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	CAPN1	77	41
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	CASP1	26	40
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	CAPN2	108	40
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	NPR	79	38
C=CCCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852225257	CE	On-Demand	Mild	Q6PRC7_IXORI	40	31
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	MME	33	40
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	KLK3	62	35
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	CTSB	50	43
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	PAPA1_CARPA	66	37
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	CTSK	31	40
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	CTSL	30	40
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	CAPNS1	62	36
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	CAPN1	77	41
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	CASP1	26	40
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	CAPN2	108	40
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	NPR	79	38
C=CCCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852225258	CE	On-Demand	Mild	Q6PRC7_IXORI	40	31
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCOC2)O1	ZINC000852225265	FC	On-Demand	Reactive	DRD4	28	44
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCOC2)O1	ZINC000852225265	FC	On-Demand	Reactive	SIGMAR1	24	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCOC2)O1	ZINC000852225266	FC	On-Demand	Reactive	DRD4	28	44
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCOC2)O1	ZINC000852225266	FC	On-Demand	Reactive	SIGMAR1	24	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2ccccn2)C1	ZINC000852225273	GF	On-Demand	Anodyne	DRD4	16	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852225274	GF	On-Demand	Anodyne	DRD4	16	42
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852225275	GF	On-Demand	Anodyne	DRD4	16	42
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(c2ccccn2)C1	ZINC000852225276	GF	On-Demand	Anodyne	DRD4	16	42
CS(=O)(=O)N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852225280	EC	On-Demand	Reactive	CACNA1I	48	32
CS(=O)(=O)N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852225281	EC	On-Demand	Reactive	CACNA1I	48	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852225287	FE	On-Demand	Anodyne	CYSP_TRYCR	43	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852225287	FE	On-Demand	Anodyne	CAPNS1	52	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852225287	FE	On-Demand	Anodyne	CAPN1	41	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852225287	FE	On-Demand	Anodyne	CAPN2	58	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852225287	FE	On-Demand	Anodyne	NPR	59	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852225287	FE	On-Demand	Anodyne	Q6PRC7_IXORI	53	38
COc1ccc(N2CC[C@H](NC(=O)NCCC3=CCCC3)C2)cc1	ZINC000852225297	EG	On-Demand	Clean	MTNR1A	27	43
COc1ccc(N2CC[C@H](NC(=O)NCCC3=CCCC3)C2)cc1	ZINC000852225297	EG	On-Demand	Clean	MTNR1B	19	43
COc1cccc(C(C)(C)CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852225362	GG	On-Demand	Anodyne	PDS	42	34
COc1cccc(C(C)(C)CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852225363	GG	On-Demand	Anodyne	PDS	42	34
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2(C3CC3)CC2)O1	ZINC000852225391	GD	On-Demand	Reactive	NPFFR1	40	35
CCC(C)(C)c1ccc(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)cc1	ZINC000852225420	GG	On-Demand	Anodyne	TRPV1	22	45
CCOc1cc(Cl)ccc1CNC(=O)N[C@@H]1C=CCC1	ZINC000852225436	CG	On-Demand	Anodyne	P2RX7	41	40
CCOc1cc(Cl)ccc1CNC(=O)N[C@H]1C=CCC1	ZINC000852225438	CG	On-Demand	Anodyne	P2RX7	41	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852225488	DF	On-Demand	Anodyne	KLK3	53	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852225488	DF	On-Demand	Anodyne	CTSB	38	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852225488	DF	On-Demand	Anodyne	CTSK	32	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852225488	DF	On-Demand	Anodyne	CAPNS1	58	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852225488	DF	On-Demand	Anodyne	CAPN1	60	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852225488	DF	On-Demand	Anodyne	CAPN2	89	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852225488	DF	On-Demand	Anodyne	NPR	59	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852225489	DF	On-Demand	Anodyne	KLK3	53	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852225489	DF	On-Demand	Anodyne	CTSB	38	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852225489	DF	On-Demand	Anodyne	CTSK	32	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852225489	DF	On-Demand	Anodyne	CAPNS1	58	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852225489	DF	On-Demand	Anodyne	CAPN1	60	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852225489	DF	On-Demand	Anodyne	CAPN2	89	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852225489	DF	On-Demand	Anodyne	NPR	59	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852225493	GE	On-Demand	Anodyne	ACE	46	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852225493	GE	On-Demand	Anodyne	PYGL	33	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852225493	GE	On-Demand	Anodyne	PYGM	28	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852225493	GE	On-Demand	Anodyne	CAPN2	43	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852225493	GE	On-Demand	Anodyne	TPP2	43	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852225495	GE	On-Demand	Anodyne	ACE	46	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852225495	GE	On-Demand	Anodyne	PYGL	33	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852225495	GE	On-Demand	Anodyne	PYGM	28	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852225495	GE	On-Demand	Anodyne	CAPN2	43	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852225495	GE	On-Demand	Anodyne	TPP2	43	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2c(cccc2C(N)=O)C1	ZINC000852225504	GE	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2c(cccc2C(N)=O)C1	ZINC000852225504	GE	On-Demand	Anodyne	Q6PRC7_IXORI	58	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	ACE	40	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	CTRA_BOVIN	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	PREP	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	LGMN	41	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	CAPN2	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	KLK5	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	BIRC2	29	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	BRCA1	44	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852225513	GG	On-Demand	Anodyne	SLC12A5	63	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	ACE	40	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	CTRA_BOVIN	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	PREP	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	LGMN	41	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	CAPN2	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	KLK5	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	BIRC2	29	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	BRCA1	44	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852225514	GG	On-Demand	Anodyne	SLC12A5	63	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	ACE	40	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	CTRA_BOVIN	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	PREP	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	LGMN	41	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	CAPN2	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	KLK5	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	BIRC2	29	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	BRCA1	44	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852225515	GG	On-Demand	Anodyne	SLC12A5	63	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	ACE	40	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	CTRA_BOVIN	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	PREP	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	LGMN	41	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	CAPN2	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	KLK5	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	BIRC2	29	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	BRCA1	44	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852225516	GG	On-Demand	Anodyne	SLC12A5	63	36
C#C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225544	FE	On-Demand	Mild	CTSK	24	41
C#C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225544	FE	On-Demand	Mild	CAPNS1	50	30
C#C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225544	FE	On-Demand	Mild	CAPN1	40	38
C#C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225544	FE	On-Demand	Mild	CAPN2	52	33
C#C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225544	FE	On-Demand	Mild	NPR	60	31
C#C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225546	FE	On-Demand	Mild	CTSK	24	41
C#C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225546	FE	On-Demand	Mild	CAPNS1	50	30
C#C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225546	FE	On-Demand	Mild	CAPN1	40	38
C#C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225546	FE	On-Demand	Mild	CAPN2	52	33
C#C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225546	FE	On-Demand	Mild	NPR	60	31
C#C[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225548	FE	On-Demand	Mild	CTSK	24	41
C#C[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225548	FE	On-Demand	Mild	CAPNS1	50	30
C#C[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225548	FE	On-Demand	Mild	CAPN1	40	38
C#C[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225548	FE	On-Demand	Mild	CAPN2	52	33
C#C[C@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225548	FE	On-Demand	Mild	NPR	60	31
C#C[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225550	FE	On-Demand	Mild	CTSK	24	41
C#C[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225550	FE	On-Demand	Mild	CAPNS1	50	30
C#C[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225550	FE	On-Demand	Mild	CAPN1	40	38
C#C[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225550	FE	On-Demand	Mild	CAPN2	52	33
C#C[C@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852225550	FE	On-Demand	Mild	NPR	60	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2COC[C@]2(C)C1	ZINC000852225597	EE	On-Demand	Anodyne	CTRA_BOVIN	58	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2COC[C@]2(C)C1	ZINC000852225597	EE	On-Demand	Anodyne	CTSG	40	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2COC[C@]2(C)C1	ZINC000852225597	EE	On-Demand	Anodyne	CELA2A	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2COC[C@]2(C)C1	ZINC000852225597	EE	On-Demand	Anodyne	NPR	40	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H]2COC[C@@]2(C)C1	ZINC000852225599	EE	On-Demand	Anodyne	CTRA_BOVIN	58	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H]2COC[C@@]2(C)C1	ZINC000852225599	EE	On-Demand	Anodyne	CTSG	40	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H]2COC[C@@]2(C)C1	ZINC000852225599	EE	On-Demand	Anodyne	CELA2A	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H]2COC[C@@]2(C)C1	ZINC000852225599	EE	On-Demand	Anodyne	NPR	40	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H]2COC[C@]2(C)C1	ZINC000852225601	EE	On-Demand	Anodyne	CTRA_BOVIN	58	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H]2COC[C@]2(C)C1	ZINC000852225601	EE	On-Demand	Anodyne	CTSG	40	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H]2COC[C@]2(C)C1	ZINC000852225601	EE	On-Demand	Anodyne	CELA2A	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H]2COC[C@]2(C)C1	ZINC000852225601	EE	On-Demand	Anodyne	NPR	40	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2COC[C@@]2(C)C1	ZINC000852225603	EE	On-Demand	Anodyne	CTRA_BOVIN	58	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2COC[C@@]2(C)C1	ZINC000852225603	EE	On-Demand	Anodyne	CTSG	40	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2COC[C@@]2(C)C1	ZINC000852225603	EE	On-Demand	Anodyne	CELA2A	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2COC[C@@]2(C)C1	ZINC000852225603	EE	On-Demand	Anodyne	NPR	40	32
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	GHRHR	58	36
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	KLK3	56	35
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	CTSB	35	40
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	CYSP_TRYCR	43	34
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	CTSK	34	40
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	CAPNS1	60	32
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	CAPN1	53	38
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	CAPN2	73	33
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	NPR	50	30
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	BIRC2	26	44
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC[C@@H](C)O1	ZINC000852225608	EF	On-Demand	Anodyne	Q6PRC7_IXORI	52	35
CCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852225612	CD	On-Demand	Mild	EPHX2	26	53
CCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852225612	CD	On-Demand	Mild	ASAH1	91	38
CCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852225612	CD	On-Demand	Mild	LASR	59	37
CCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852225614	CD	On-Demand	Mild	EPHX2	26	53
CCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852225614	CD	On-Demand	Mild	ASAH1	91	38
CCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852225614	CD	On-Demand	Mild	LASR	59	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852225628	FH	On-Demand	Anodyne	CTSB	41	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852225628	FH	On-Demand	Anodyne	PAPA1_CARPA	44	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852225628	FH	On-Demand	Anodyne	CTSK	26	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852225628	FH	On-Demand	Anodyne	CAPNS1	58	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852225628	FH	On-Demand	Anodyne	CAPN1	65	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852225628	FH	On-Demand	Anodyne	CAPN2	100	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852225628	FH	On-Demand	Anodyne	NPR	69	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	ACE	55	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	KLK3	70	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	CTSB	44	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	CYSP_TRYCR	47	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	CTSK	41	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	CTSL	45	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	CAPNS1	59	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	CAPN1	70	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	CAPN2	94	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	NPR	62	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	BIRC2	28	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852225667	EF	On-Demand	Anodyne	Q6PRC7_IXORI	48	36
CCCCCCCCNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852225673	CG	On-Demand	Mild	ASAH1	102	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1=CCCOC1	ZINC000852225704	EE	On-Demand	Anodyne	CAPNS1	47	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1=CCCOC1	ZINC000852225704	EE	On-Demand	Anodyne	CAPN1	42	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1=CCCOC1	ZINC000852225704	EE	On-Demand	Anodyne	CAPN2	58	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1=CCCOC1	ZINC000852225704	EE	On-Demand	Anodyne	NPR	66	34
CCOc1cc(Cl)ccc1CNC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852225739	GD	On-Demand	Reactive	P2RX7	49	43
CCOc1cc(Cl)ccc1CNC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852225740	GD	On-Demand	Reactive	P2RX7	49	43
CCOc1cc(Cl)ccc1CNC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852225741	GD	On-Demand	Reactive	P2RX7	49	43
CCOc1cc(Cl)ccc1CNC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852225742	GD	On-Demand	Reactive	P2RX7	49	43
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852225756	CC	On-Demand	Anodyne	EPHX2	17	42
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccn2)C1	ZINC000852225757	CC	On-Demand	Anodyne	EPHX2	17	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	GHRHR	57	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	KLK3	41	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	CTSB	41	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	CYSP_TRYCR	46	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	CTSK	38	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	CTSL	42	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	PREP	18	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	CAPNS1	64	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	CAPN1	51	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	CAPN2	76	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	NPR	52	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	BIRC2	48	48
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852225759	FF	On-Demand	Anodyne	SLC12A5	56	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	GHRHR	57	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	KLK3	41	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	CTSB	41	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	CYSP_TRYCR	46	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	CTSK	38	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	CTSL	42	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	PREP	18	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	CAPNS1	64	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	CAPN1	51	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	CAPN2	76	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	NPR	52	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	BIRC2	48	48
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852225761	FF	On-Demand	Anodyne	SLC12A5	56	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852225772	EF	On-Demand	Anodyne	GHRHR	48	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852225772	EF	On-Demand	Anodyne	CAPNS1	56	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852225772	EF	On-Demand	Anodyne	CAPN1	48	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852225772	EF	On-Demand	Anodyne	CAPN2	66	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852225772	EF	On-Demand	Anodyne	SLC12A5	67	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852225775	EF	On-Demand	Anodyne	GHRHR	48	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852225775	EF	On-Demand	Anodyne	CAPNS1	56	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852225775	EF	On-Demand	Anodyne	CAPN1	48	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852225775	EF	On-Demand	Anodyne	CAPN2	66	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852225775	EF	On-Demand	Anodyne	SLC12A5	67	35
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	KLK3	67	36
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	CTSB	55	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	PAPA1_CARPA	60	35
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	CYSP_TRYCR	41	36
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	CTSK	39	41
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	TIMP3	79	41
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	CAPNS1	64	38
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	CAPN1	86	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	CAPN2	123	38
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	EPHX2	15	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225776	EE	On-Demand	Anodyne	NPR	72	34
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	KLK3	67	36
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	CTSB	55	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	PAPA1_CARPA	60	35
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	CYSP_TRYCR	41	36
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	CTSK	39	41
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	TIMP3	79	41
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	CAPNS1	64	38
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	CAPN1	86	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	CAPN2	123	38
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	EPHX2	15	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225777	EE	On-Demand	Anodyne	NPR	72	34
Cc1ccccc1C=NOCC(=O)NCc1cccc(Cl)c1	ZINC000852225780	DG	On-Demand	Mild	PDS	70	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@H]1CC1(F)F	ZINC000852225799	FE	On-Demand	Anodyne	CTSB	42	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@H]1CC1(F)F	ZINC000852225799	FE	On-Demand	Anodyne	PAPA1_CARPA	44	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@H]1CC1(F)F	ZINC000852225799	FE	On-Demand	Anodyne	CTSK	26	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@H]1CC1(F)F	ZINC000852225799	FE	On-Demand	Anodyne	CAPNS1	60	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@H]1CC1(F)F	ZINC000852225799	FE	On-Demand	Anodyne	CAPN1	73	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@H]1CC1(F)F	ZINC000852225799	FE	On-Demand	Anodyne	CAPN2	116	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@H]1CC1(F)F	ZINC000852225799	FE	On-Demand	Anodyne	NPR	69	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852225800	FE	On-Demand	Anodyne	CTSB	42	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852225800	FE	On-Demand	Anodyne	PAPA1_CARPA	44	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852225800	FE	On-Demand	Anodyne	CTSK	26	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852225800	FE	On-Demand	Anodyne	CAPNS1	60	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852225800	FE	On-Demand	Anodyne	CAPN1	73	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852225800	FE	On-Demand	Anodyne	CAPN2	116	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852225800	FE	On-Demand	Anodyne	NPR	69	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)C[C@@H]1COCCO1	ZINC000852225801	FD	On-Demand	Anodyne	CAPNS1	51	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)C[C@@H]1COCCO1	ZINC000852225801	FD	On-Demand	Anodyne	CAPN2	47	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)C[C@@H]1COCCO1	ZINC000852225801	FD	On-Demand	Anodyne	NPR	62	32
CCCCCCCCNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852225803	CG	On-Demand	Mild	ASAH1	102	43
CCCCCCCCNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852225804	CG	On-Demand	Mild	ASAH1	102	43
CCCCCCCCNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852225805	CG	On-Demand	Mild	ASAH1	102	43
CCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852225830	CF	On-Demand	Mild	EPHX2	20	46
CCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852225830	CF	On-Demand	Mild	ASAH1	87	36
CCCCCCCCNC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852225831	CF	On-Demand	Mild	EPHX2	20	46
CCCCCCCCNC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852225831	CF	On-Demand	Mild	ASAH1	87	36
CCCCCCCCNC(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC000852225832	CF	On-Demand	Mild	EPHX2	20	46
CCCCCCCCNC(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC000852225832	CF	On-Demand	Mild	ASAH1	87	36
CCCCCCCCNC(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC000852225833	CF	On-Demand	Mild	EPHX2	20	46
CCCCCCCCNC(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC000852225833	CF	On-Demand	Mild	ASAH1	87	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852225838	GE	On-Demand	Anodyne	CTSK	26	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852225838	GE	On-Demand	Anodyne	CAPN2	48	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852225838	GE	On-Demand	Anodyne	Q6PRC7_IXORI	53	35
CCCCCCCCNC(=O)N1CC[C@@H](C)O[C@@H](C)C1	ZINC000852225839	CH	On-Demand	Mild	ASAH1	103	40
CCCCCCCCNC(=O)N(C)CC1=CCCOC1	ZINC000852225849	CG	On-Demand	Mild	ASAH1	81	37
CCCCCCCCNC(=O)NC[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1	ZINC000852225868	FE	On-Demand	Mild	ASAH1	73	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	HTR4	38	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	CTRA_BOVIN	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	TRY1_BOVIN	43	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	CCR3	65	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	PREP	28	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	CAPNS1	41	29
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	LGMN	55	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	CAPN1	42	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	CAPN2	55	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	NPR	55	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852225878	GF	On-Demand	Anodyne	BIRC2	40	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	HTR4	38	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	CTRA_BOVIN	47	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	TRY1_BOVIN	43	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	CCR3	65	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	PREP	28	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	CAPNS1	41	29
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	LGMN	55	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	CAPN1	42	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	CAPN2	55	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	NPR	55	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852225880	GF	On-Demand	Anodyne	BIRC2	40	40
COc1cccc(C(C)(C)CNC(=O)NCc2ncccn2)c1	ZINC000852225883	DE	On-Demand	Anodyne	ROCK2	17	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccon2)CC1	ZINC000852225902	FG	On-Demand	Anodyne	CYSP_TRYCR	45	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccon2)CC1	ZINC000852225902	FG	On-Demand	Anodyne	CTSK	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccon2)CC1	ZINC000852225902	FG	On-Demand	Anodyne	PREP	21	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccon2)CC1	ZINC000852225902	FG	On-Demand	Anodyne	CAPNS1	42	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccon2)CC1	ZINC000852225902	FG	On-Demand	Anodyne	CAPN1	46	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccon2)CC1	ZINC000852225902	FG	On-Demand	Anodyne	CAPN2	48	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccon2)CC1	ZINC000852225902	FG	On-Demand	Anodyne	Q6PRC7_IXORI	46	35
CN(C)[C@@H]1CCC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852225908	FG	On-Demand	Anodyne	EPHX2	21	61
CN(C)[C@@H]1CCC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852225908	FG	On-Demand	Anodyne	TRPM8	33	53
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852225911	FG	On-Demand	Anodyne	EPHX2	21	61
CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852225911	FG	On-Demand	Anodyne	TRPM8	33	53
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	ACHE	24	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	HTR4	62	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	GRIN2B	48	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	CTSB	42	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	CYSP_TRYCR	42	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	CCR3	43	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	CAPNS1	72	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	CAPN1	74	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	CAPN2	108	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852225912	GF	On-Demand	Anodyne	CACNA1I	65	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	CASP3	21	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	KLK3	47	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	CTSB	44	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	PAPA1_CARPA	42	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	CTSK	34	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	CAPNS1	61	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	CAPN1	69	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	CAPN2	102	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	EPHX2	15	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	NPR	71	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852225926	DF	On-Demand	Anodyne	SLC12A5	57	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)C[C@H]1COCCO1	ZINC000852225929	FD	On-Demand	Anodyne	CAPNS1	51	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)C[C@H]1COCCO1	ZINC000852225929	FD	On-Demand	Anodyne	CAPN2	47	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)C[C@H]1COCCO1	ZINC000852225929	FD	On-Demand	Anodyne	NPR	62	32
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	CASP3	18	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	KLK3	64	33
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	CTSB	52	39
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	PAPA1_CARPA	43	38
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	CTSK	33	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	CAPNS1	63	38
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	CAPN1	83	39
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	CAPN2	121	36
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225965	FE	On-Demand	Anodyne	NPR	75	35
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	CASP3	18	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	KLK3	64	33
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	CTSB	52	39
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	PAPA1_CARPA	43	38
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	CTSK	33	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	CAPNS1	63	38
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	CAPN1	83	39
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	CAPN2	121	36
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)C1	ZINC000852225969	FE	On-Demand	Anodyne	NPR	75	35
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(CN(C)C)CC3)C2)cc1	ZINC000852225987	FF	On-Demand	Clean	EPHX2	35	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(CN(C)C)CC3)C2)cc1	ZINC000852225987	FF	On-Demand	Clean	MCHR1	17	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1noc2ccccc12	ZINC000852226016	GG	On-Demand	Anodyne	CAPNS1	48	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1noc2ccccc12	ZINC000852226016	GG	On-Demand	Anodyne	CAPN1	50	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1noc2ccccc12	ZINC000852226016	GG	On-Demand	Anodyne	CAPN2	79	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1noc2ccccc12	ZINC000852226016	GG	On-Demand	Anodyne	NPR	61	34
COc1cccc(C(C)(C)CNC(=O)NCCC2SCCS2)c1	ZINC000852226025	FG	On-Demand	Anodyne	DRD4	40	31
C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N(C)Cc1cnc[nH]1	ZINC000852226046	ED	On-Demand	Anodyne	TAAR1	26	42
Cc1ccccc1C=NOCC(=O)NCCCc1ccccc1	ZINC000852226110	DG	On-Demand	Mild	AMP1_PLAFQ	28	43
Cc1ccccc1C=NOCC(=O)NCCCc1ccccc1	ZINC000852226110	DG	On-Demand	Mild	CRTM	36	40
CCCCCCCCNC(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC000852226119	EG	On-Demand	Mild	EPHX2	15	43
CCCCCCCCNC(=O)N[C@@H]1CCO[C@H]1c1ccnn1CC	ZINC000852226119	EG	On-Demand	Mild	ASAH1	72	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852226125	GC	On-Demand	Reactive	CTRA_BOVIN	53	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852226125	GC	On-Demand	Reactive	CAPN2	42	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852226127	GC	On-Demand	Reactive	CTRA_BOVIN	53	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852226127	GC	On-Demand	Reactive	CAPN2	42	32
CN(C)CC1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852226128	GF	On-Demand	Clean	EPHX2	19	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852226136	GG	On-Demand	Anodyne	CAPNS1	56	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852226136	GG	On-Demand	Anodyne	CAPN1	40	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852226136	GG	On-Demand	Anodyne	CAPN2	55	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852226136	GG	On-Demand	Anodyne	NPR	59	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852226136	GG	On-Demand	Anodyne	SLC12A5	67	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852226138	GG	On-Demand	Anodyne	CAPNS1	56	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852226138	GG	On-Demand	Anodyne	CAPN1	40	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852226138	GG	On-Demand	Anodyne	CAPN2	55	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852226138	GG	On-Demand	Anodyne	NPR	59	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852226138	GG	On-Demand	Anodyne	SLC12A5	67	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852226141	GG	On-Demand	Anodyne	CAPNS1	56	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852226141	GG	On-Demand	Anodyne	CAPN1	40	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852226141	GG	On-Demand	Anodyne	CAPN2	55	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852226141	GG	On-Demand	Anodyne	NPR	59	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852226141	GG	On-Demand	Anodyne	SLC12A5	67	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	MME	22	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	KLK3	42	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	CTSB	51	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	PAPA1_CARPA	47	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	PGA	25	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	CAPNS1	60	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	CAPN1	78	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	CASP1	18	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	CAPN2	117	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852226146	GF	On-Demand	Anodyne	NPR	72	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	MME	22	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	KLK3	42	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	CTSB	51	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	PAPA1_CARPA	47	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	PGA	25	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	CAPNS1	60	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	CAPN1	78	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	CASP1	18	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	CAPN2	117	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852226149	GF	On-Demand	Anodyne	NPR	72	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852226164	FG	On-Demand	Anodyne	CTSB	42	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852226164	FG	On-Demand	Anodyne	CAPNS1	59	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852226164	FG	On-Demand	Anodyne	CAPN1	66	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852226164	FG	On-Demand	Anodyne	CAPN2	103	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852226164	FG	On-Demand	Anodyne	NPR	75	34
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	ACE	40	38
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	SLC6A3	24	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	KLK3	68	36
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	CTSB	54	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	PAPA1_CARPA	40	35
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	CYSP_TRYCR	44	36
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	CTSK	36	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	CTSL	42	38
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	CAPNS1	62	35
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	CAPN1	84	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	CAPN2	122	37
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	NPR	73	34
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226169	EG	On-Demand	Anodyne	SLC12A5	43	35
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	ACE	40	38
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	SLC6A3	24	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	KLK3	68	36
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	CTSB	54	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	PAPA1_CARPA	40	35
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	CYSP_TRYCR	44	36
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	CTSK	36	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	CTSL	42	38
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	CAPNS1	62	35
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	CAPN1	84	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	CAPN2	122	37
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	NPR	73	34
CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226171	EG	On-Demand	Anodyne	SLC12A5	43	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	CTRA_BOVIN	46	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	KLK3	63	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	CCR5	45	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	CAPNS1	60	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	LGMN	54	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	CAPN1	53	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	CAPN2	54	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	NPR	57	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	BIRC2	24	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852226176	GD	On-Demand	Anodyne	Q6PRC7_IXORI	49	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	CTRA_BOVIN	46	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	KLK3	63	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	CCR5	45	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	CAPNS1	60	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	LGMN	54	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	CAPN1	53	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	CAPN2	54	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	NPR	57	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	BIRC2	24	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852226178	GD	On-Demand	Anodyne	Q6PRC7_IXORI	49	35
Cc1ccccc1C=NOCC(=O)Nc1cccc(I)c1	ZINC000852226193	GH	On-Demand	Mild	KCNK3	53	36
Cc1ccccc1C=NOCC(=O)Nc1cccc(I)c1	ZINC000852226193	GH	On-Demand	Mild	KCNK9	51	34
CCCCCCCCNC(=O)N1C[C@@H]2[C@H](C1)[C@@H](OC)CS2(=O)=O	ZINC000852226212	ED	On-Demand	Mild	ASAH1	85	35
CCCCCCCCNC(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852226234	DH	On-Demand	Mild	ASAH1	99	39
CCCCCCCCNC(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852226236	DH	On-Demand	Mild	ASAH1	99	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	PLG	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	ACE	49	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	GHRHR	52	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	ELANE	32	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CTRA_BOVIN	60	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CASP3	17	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	KLK3	74	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	TRY1_BOVIN	40	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CTSG	40	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CTSK	37	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CTSL	40	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	PREP	43	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CAPNS1	59	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CELA2A	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	REN	63	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	LGMN	63	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CTSS	45	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CAPN1	49	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	CAPN2	51	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	KLK5	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	BIRC2	31	46
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	Q6PRC7_IXORI	50	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852226259	FG	On-Demand	Anodyne	SLC12A5	58	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	PLG	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	ACE	49	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	GHRHR	52	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	ELANE	32	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CTRA_BOVIN	60	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CASP3	17	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	KLK3	74	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	TRY1_BOVIN	40	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CTSG	40	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CTSK	37	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CTSL	40	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	PREP	43	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CAPNS1	59	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CELA2A	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	REN	63	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	LGMN	63	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CTSS	45	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CAPN1	49	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	CAPN2	51	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	KLK5	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	BIRC2	31	46
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	Q6PRC7_IXORI	50	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852226263	FG	On-Demand	Anodyne	SLC12A5	58	38
CCCCCCCCNC(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1	ZINC000852226273	GF	On-Demand	Mild	ASAH1	64	34
CCCCCCCCNC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852226279	CH	On-Demand	Mild	ASAH1	95	40
CCCCCCCCNC(=O)N1CCC[C@H](CC#N)C1	ZINC000852226280	CH	On-Demand	Mild	ASAH1	95	40
CCCCCCCCNC(=O)N(C)CC1CN(C)C1	ZINC000852226284	CF	On-Demand	Mild	ASAH1	75	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnccc1C(F)(F)F	ZINC000852226296	GG	On-Demand	Anodyne	CYSP_TRYCR	41	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnccc1C(F)(F)F	ZINC000852226296	GG	On-Demand	Anodyne	CAPNS1	57	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnccc1C(F)(F)F	ZINC000852226296	GG	On-Demand	Anodyne	CAPN1	56	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnccc1C(F)(F)F	ZINC000852226296	GG	On-Demand	Anodyne	CAPN2	87	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnccc1C(F)(F)F	ZINC000852226296	GG	On-Demand	Anodyne	NPR	58	33
CCOc1cc(Cl)ccc1CNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852226311	FE	On-Demand	Anodyne	EPHX2	16	43
CCOc1cc(Cl)ccc1CNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852226312	FE	On-Demand	Anodyne	EPHX2	16	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccnc2ccccc12	ZINC000852226326	GH	On-Demand	Anodyne	CAPNS1	52	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccnc2ccccc12	ZINC000852226326	GH	On-Demand	Anodyne	MTNR1A	24	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccnc2ccccc12	ZINC000852226326	GH	On-Demand	Anodyne	MTNR1B	18	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccnc2ccccc12	ZINC000852226326	GH	On-Demand	Anodyne	CAPN1	55	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccnc2ccccc12	ZINC000852226326	GH	On-Demand	Anodyne	CASP1	26	50
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccnc2ccccc12	ZINC000852226326	GH	On-Demand	Anodyne	CAPN2	85	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCc1ccnc2ccccc12	ZINC000852226326	GH	On-Demand	Anodyne	NPR	69	37
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	MME	44	37
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CASP3	26	41
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	KLK3	78	37
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CTSB	66	43
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	PAPA1_CARPA	74	38
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CYSP_TRYCR	43	38
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CTSK	34	43
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CTSL	40	38
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CAPNS1	67	38
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CTSS	19	43
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CAPN1	93	43
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CASP1	25	43
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CAPN2	137	42
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	CASP9	28	40
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	NPR	82	38
CO[C@@H](C)CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226337	DD	On-Demand	Anodyne	PSMB5	29	40
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	MME	44	37
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CASP3	26	41
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	KLK3	78	37
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CTSB	66	43
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	PAPA1_CARPA	74	38
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CYSP_TRYCR	43	38
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CTSK	34	43
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CTSL	40	38
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CAPNS1	67	38
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CTSS	19	43
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CAPN1	93	43
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CASP1	25	43
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CAPN2	137	42
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	CASP9	28	40
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	NPR	82	38
CO[C@@H](C)CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226339	DD	On-Demand	Anodyne	PSMB5	29	40
CS[C@H](C)CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852226355	EG	On-Demand	Anodyne	ADRB2	15	40
CS[C@H](C)CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852226357	EG	On-Demand	Anodyne	ADRB2	15	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]2(C)COC[C@@]2(C)C1	ZINC000852226364	FF	On-Demand	Anodyne	CYSP_TRYCR	47	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]2(C)COC[C@@]2(C)C1	ZINC000852226364	FF	On-Demand	Anodyne	CAPNS1	58	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]2(C)COC[C@@]2(C)C1	ZINC000852226364	FF	On-Demand	Anodyne	CAPN1	48	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]2(C)COC[C@@]2(C)C1	ZINC000852226364	FF	On-Demand	Anodyne	CAPN2	72	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]2(C)COC[C@@]2(C)C1	ZINC000852226364	FF	On-Demand	Anodyne	NPR	65	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@]2(C)COC[C@@]2(C)C1	ZINC000852226364	FF	On-Demand	Anodyne	SLC12A5	48	36
CCCCCCCCNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852226380	DF	On-Demand	Mild	ASAH1	102	41
CCCCCCCCNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852226380	DF	On-Demand	Mild	LASR	41	34
CCCCCCCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852226383	DF	On-Demand	Mild	ASAH1	102	41
CCCCCCCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852226383	DF	On-Demand	Mild	LASR	41	34
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccn2)C1	ZINC000852226395	DC	On-Demand	Anodyne	DRD4	21	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852226396	GH	On-Demand	Anodyne	CASP3	16	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852226396	GH	On-Demand	Anodyne	CTSB	36	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852226396	GH	On-Demand	Anodyne	CTSK	32	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852226396	GH	On-Demand	Anodyne	CAPNS1	57	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852226396	GH	On-Demand	Anodyne	CAPN1	54	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852226396	GH	On-Demand	Anodyne	CAPN2	85	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852226396	GH	On-Demand	Anodyne	NPR	48	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852226396	GH	On-Demand	Anodyne	SLC12A5	58	33
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccn2)C1	ZINC000852226397	DC	On-Demand	Anodyne	DRD4	21	40
CCCCCCCCNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852226399	CG	On-Demand	Mild	EPHX2	23	49
CCCCCCCCNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852226399	CG	On-Demand	Mild	ASAH1	107	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	F2	54	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	PLG	31	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	ACE	48	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	FKBP1A	46	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	OPRM1	24	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	ELANE	36	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	CTRA_BOVIN	63	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	TRY1_BOVIN	62	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	CTSG	44	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	PREP	56	46
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	CAPNS1	59	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	CELA2A	51	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	LGMN	75	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	CAPN1	59	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	CAPN2	58	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	XIAP	50	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	BIRC2	35	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	BRCA1	60	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	SLC12A5	63	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852226400	GD	On-Demand	Anodyne	TMPRSS11D	62	36
CCCCCCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852226402	CG	On-Demand	Mild	EPHX2	23	49
CCCCCCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852226402	CG	On-Demand	Mild	ASAH1	107	45
CCCCCCCCNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852226405	CG	On-Demand	Mild	EPHX2	23	49
CCCCCCCCNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852226405	CG	On-Demand	Mild	ASAH1	107	45
CCCCCCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852226406	CG	On-Demand	Mild	EPHX2	23	49
CCCCCCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852226406	CG	On-Demand	Mild	ASAH1	107	45
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226407	GG	On-Demand	Anodyne	ANPEP	27	43
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226407	GG	On-Demand	Anodyne	CTSB	46	39
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226407	GG	On-Demand	Anodyne	PAPA1_CARPA	55	35
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226407	GG	On-Demand	Anodyne	CTSK	24	40
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226407	GG	On-Demand	Anodyne	CAPNS1	60	34
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226407	GG	On-Demand	Anodyne	CAPN1	76	39
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226407	GG	On-Demand	Anodyne	CAPN2	104	39
COc1cccc(OC)c1CNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226407	GG	On-Demand	Anodyne	NPR	75	34
COc1cccc(OC)c1CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226411	GG	On-Demand	Anodyne	ANPEP	27	43
COc1cccc(OC)c1CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226411	GG	On-Demand	Anodyne	CTSB	46	39
COc1cccc(OC)c1CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226411	GG	On-Demand	Anodyne	PAPA1_CARPA	55	35
COc1cccc(OC)c1CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226411	GG	On-Demand	Anodyne	CTSK	24	40
COc1cccc(OC)c1CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226411	GG	On-Demand	Anodyne	CAPNS1	60	34
COc1cccc(OC)c1CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226411	GG	On-Demand	Anodyne	CAPN1	76	39
COc1cccc(OC)c1CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226411	GG	On-Demand	Anodyne	CAPN2	104	39
COc1cccc(OC)c1CNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226411	GG	On-Demand	Anodyne	NPR	75	34
CCCCCCCCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852226415	DF	On-Demand	Mild	EPHX2	30	59
CCCCCCCCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852226415	DF	On-Demand	Mild	ASAH1	96	38
CCCCCCCCNC(=O)N[C@H](C)c1nccn1C	ZINC000852226484	CG	On-Demand	Mild	ASAH1	95	42
CCCCCCCCNC(=O)N[C@@H](C)c1nccn1C	ZINC000852226487	CG	On-Demand	Mild	ASAH1	95	42
CCCCCCCCNC(=O)N1CC2(CCOCC2)[C@H]1c1ccco1	ZINC000852226490	EJ	On-Demand	Mild	ASAH1	96	39
CCCCCCCCNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1	ZINC000852226493	EJ	On-Demand	Mild	ASAH1	96	39
CS[C@H](C)CNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852226505	DF	On-Demand	Anodyne	SOAT1	27	42
CS[C@H](C)CNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852226507	DF	On-Demand	Anodyne	SOAT1	27	42
CCCCCCCCNC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852226522	EF	On-Demand	Mild	EPHX2	31	59
CCCCCCCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852226523	EF	On-Demand	Mild	EPHX2	31	59
CCCCCCCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000852226524	GG	On-Demand	Mild	ASAH1	84	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	CYSP_TRYCR	51	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	CAPNS1	55	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	MAPK1	46	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	CAPN1	46	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	CAPN2	63	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	NPR	53	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	P2RY14	42	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	Q6PRC7_IXORI	48	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCc2nccnc2C1	ZINC000852226526	FE	On-Demand	Anodyne	SLC12A5	51	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852226530	GF	On-Demand	Anodyne	CTSK	31	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852226530	GF	On-Demand	Anodyne	CAPNS1	58	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852226530	GF	On-Demand	Anodyne	CAPN1	58	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852226530	GF	On-Demand	Anodyne	CAPN2	90	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852226530	GF	On-Demand	Anodyne	NPR	66	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852226530	GF	On-Demand	Anodyne	SLC12A5	59	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852226533	GF	On-Demand	Anodyne	KLK3	77	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852226533	GF	On-Demand	Anodyne	PAPA1_CARPA	44	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852226533	GF	On-Demand	Anodyne	CAPNS1	59	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852226533	GF	On-Demand	Anodyne	CAPN1	50	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852226533	GF	On-Demand	Anodyne	CAPN2	66	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852226533	GF	On-Demand	Anodyne	NPR	50	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852226534	GF	On-Demand	Anodyne	KLK3	77	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852226534	GF	On-Demand	Anodyne	PAPA1_CARPA	44	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852226534	GF	On-Demand	Anodyne	CAPNS1	59	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852226534	GF	On-Demand	Anodyne	CAPN1	50	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852226534	GF	On-Demand	Anodyne	CAPN2	66	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)c1ccc(F)cc1F	ZINC000852226534	GF	On-Demand	Anodyne	NPR	50	33
CCCCCCCCNC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852226537	ED	On-Demand	Reactive	ASAH1	59	32
CCCCCCCCNC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852226538	ED	On-Demand	Reactive	ASAH1	59	32
CCCCCCCCNC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852226539	ED	On-Demand	Reactive	ASAH1	59	32
CCCCCCCCNC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852226540	ED	On-Demand	Reactive	ASAH1	59	32
CCCCCCCCNC(=O)NNC(=O)c1cn(C)nn1	ZINC000852226548	CD	On-Demand	Reactive	ASAH1	99	40
C=C[C@H](CO)NC(=O)NCCCCCCCC	ZINC000852226550	BE	On-Demand	Mild	EPHX2	21	47
C=C[C@H](CO)NC(=O)NCCCCCCCC	ZINC000852226550	BE	On-Demand	Mild	ASAH1	71	34
C=C[C@H](CO)NC(=O)NCCCCCCCC	ZINC000852226550	BE	On-Demand	Mild	NOD1	55	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCOC1(C)C	ZINC000852226553	EF	On-Demand	Anodyne	CAPNS1	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCOC1(C)C	ZINC000852226553	EF	On-Demand	Anodyne	CAPN1	51	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCOC1(C)C	ZINC000852226553	EF	On-Demand	Anodyne	CAPN2	82	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCOC1(C)C	ZINC000852226553	EF	On-Demand	Anodyne	NPR	58	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCOC1(C)C	ZINC000852226553	EF	On-Demand	Anodyne	SLC12A5	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCOC1(C)C	ZINC000852226556	EF	On-Demand	Anodyne	CAPNS1	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCOC1(C)C	ZINC000852226556	EF	On-Demand	Anodyne	CAPN1	51	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCOC1(C)C	ZINC000852226556	EF	On-Demand	Anodyne	CAPN2	82	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCOC1(C)C	ZINC000852226556	EF	On-Demand	Anodyne	NPR	58	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCOC1(C)C	ZINC000852226556	EF	On-Demand	Anodyne	SLC12A5	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	ELANE	27	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CASP3	18	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CTSB	52	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	PAPA1_CARPA	57	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CYSP_TRYCR	48	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CTSK	30	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CAPNS1	61	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CAPN1	72	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CASP1	23	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CAPN2	109	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	CASP9	28	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	NPR	75	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852226557	DF	On-Demand	Anodyne	PSMB5	42	35
CCC1(CNC(=O)NCCN(C)C(=O)OC)CCN(Cc2ccccc2)CC1	ZINC000852226559	GF	On-Demand	Anodyne	ACHE	21	41
CCC1(CNC(=O)NCCN(C)C(=O)OC)CCN(Cc2ccccc2)CC1	ZINC000852226559	GF	On-Demand	Anodyne	SIGMAR1	48	37
CCC1(CNC(=O)NCCN(C)C(=O)OC)CCN(Cc2ccccc2)CC1	ZINC000852226559	GF	On-Demand	Anodyne	NPFFR2	40	47
CCC1(CNC(=O)NCCN(C)C(=O)OC)CCN(Cc2ccccc2)CC1	ZINC000852226559	GF	On-Demand	Anodyne	NPFFR1	53	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1c(C2CCC2)cnn1C	ZINC000852226565	GG	On-Demand	Anodyne	CTRA_BOVIN	47	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1c(C2CCC2)cnn1C	ZINC000852226565	GG	On-Demand	Anodyne	CAPN2	55	33
CCCN(CCNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)C(=O)OC(C)(C)C	ZINC000852226570	GF	On-Demand	Anodyne	SSTR2	44	42
CCCN(CCNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)C(=O)OC(C)(C)C	ZINC000852226571	GF	On-Demand	Anodyne	SSTR2	44	42
CCC(C)(C)c1ccc(CNC(=O)N(CCF)CCOC)cc1	ZINC000852226614	DH	On-Demand	Anodyne	MT-ND1	18	46
O=C(N[C@@H]1CCOC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852226616	GE	On-Demand	Anodyne	EPHX2	25	41
O=C(N[C@H]1CCOC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852226618	GE	On-Demand	Anodyne	EPHX2	25	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@@H]3CCOC3)C2)CC1	ZINC000852226624	GF	On-Demand	Anodyne	GPR119	22	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@@H]3CCOC3)C2)CC1	ZINC000852226626	GF	On-Demand	Anodyne	GPR119	22	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@H]3CCOC3)C2)CC1	ZINC000852226628	GF	On-Demand	Anodyne	GPR119	22	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@H]3CCOC3)C2)CC1	ZINC000852226631	GF	On-Demand	Anodyne	GPR119	22	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1nccn1C	ZINC000852226632	EE	On-Demand	Anodyne	CYSP_TRYCR	42	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1nccn1C	ZINC000852226632	EE	On-Demand	Anodyne	CAPNS1	52	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1nccn1C	ZINC000852226632	EE	On-Demand	Anodyne	CAPN1	56	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1nccn1C	ZINC000852226632	EE	On-Demand	Anodyne	CAPN2	86	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1nccn1C	ZINC000852226632	EE	On-Demand	Anodyne	NPR	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@](C)(C2CC2)C1	ZINC000852226633	FF	On-Demand	Anodyne	GHRHR	44	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@](C)(C2CC2)C1	ZINC000852226633	FF	On-Demand	Anodyne	CTRA_BOVIN	54	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@](C)(C2CC2)C1	ZINC000852226633	FF	On-Demand	Anodyne	CELA2A	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@](C)(C2CC2)C1	ZINC000852226633	FF	On-Demand	Anodyne	CAPN2	40	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@](C)(C2CC2)C1	ZINC000852226633	FF	On-Demand	Anodyne	SLC12A5	67	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@](C)(C2CC2)C1	ZINC000852226637	FF	On-Demand	Anodyne	GHRHR	44	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@](C)(C2CC2)C1	ZINC000852226637	FF	On-Demand	Anodyne	CTRA_BOVIN	54	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@](C)(C2CC2)C1	ZINC000852226637	FF	On-Demand	Anodyne	CELA2A	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@](C)(C2CC2)C1	ZINC000852226637	FF	On-Demand	Anodyne	CAPN2	40	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@](C)(C2CC2)C1	ZINC000852226637	FF	On-Demand	Anodyne	SLC12A5	67	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCn2c(nnc2C(C)(C)C)C1	ZINC000852226644	GF	On-Demand	Anodyne	Q6PRC7_IXORI	52	37
CCCCCCCCNC(=O)N[C@H](C)c1cscn1	ZINC000852226654	CH	On-Demand	Mild	ASAH1	88	35
CCCCCCCCNC(=O)N[C@@H](C)c1cscn1	ZINC000852226656	CH	On-Demand	Mild	ASAH1	88	35
CCCCCCCCNC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1	ZINC000852226662	FG	On-Demand	Mild	ASAH1	88	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	CASP3	21	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	CTSB	40	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	PAPA1_CARPA	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	CTSK	17	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	CTSL	20	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	CAPNS1	53	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	CAPN1	44	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	CAPN2	61	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	CYP3A4	29	49
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	NPR	62	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852226664	EE	On-Demand	Anodyne	TAAR1	25	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852226673	EF	On-Demand	Anodyne	CTSB	44	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852226673	EF	On-Demand	Anodyne	PAPA1_CARPA	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852226673	EF	On-Demand	Anodyne	CTSK	25	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852226673	EF	On-Demand	Anodyne	CAPNS1	60	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852226673	EF	On-Demand	Anodyne	CAPN1	67	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852226673	EF	On-Demand	Anodyne	CAPN2	102	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852226673	EF	On-Demand	Anodyne	NPR	69	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852226673	EF	On-Demand	Anodyne	SLC12A5	44	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852226675	EF	On-Demand	Anodyne	CTSB	44	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852226675	EF	On-Demand	Anodyne	PAPA1_CARPA	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852226675	EF	On-Demand	Anodyne	CTSK	25	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852226675	EF	On-Demand	Anodyne	CAPNS1	60	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852226675	EF	On-Demand	Anodyne	CAPN1	67	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852226675	EF	On-Demand	Anodyne	CAPN2	102	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852226675	EF	On-Demand	Anodyne	NPR	69	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852226675	EF	On-Demand	Anodyne	SLC12A5	44	33
Cc1ccccc1C=NOCC(=O)Nc1c(C(C)C)cccc1C(C)C	ZINC000852226683	FK	On-Demand	Mild	SOAT1	59	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	GHRHR	41	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	CTSB	24	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	CTSK	27	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	CTSL	31	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	CAPNS1	46	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	CAPN1	42	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	CAPN2	54	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	BIRC2	20	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	Q6PRC7_IXORI	47	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC(c2ccco2)CC1	ZINC000852226697	FH	On-Demand	Anodyne	SLC12A5	48	33
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226705	EE	On-Demand	Anodyne	KLK3	40	30
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226705	EE	On-Demand	Anodyne	PAPA1_CARPA	41	37
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226705	EE	On-Demand	Anodyne	CTSK	19	41
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226705	EE	On-Demand	Anodyne	CAPNS1	52	34
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226705	EE	On-Demand	Anodyne	CAPN1	47	37
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226705	EE	On-Demand	Anodyne	CAPN2	60	34
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226705	EE	On-Demand	Anodyne	NPR	61	32
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226707	EE	On-Demand	Anodyne	KLK3	40	30
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226707	EE	On-Demand	Anodyne	PAPA1_CARPA	41	37
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226707	EE	On-Demand	Anodyne	CTSK	19	41
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226707	EE	On-Demand	Anodyne	CAPNS1	52	34
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226707	EE	On-Demand	Anodyne	CAPN1	47	37
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226707	EE	On-Demand	Anodyne	CAPN2	60	34
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)o1	ZINC000852226707	EE	On-Demand	Anodyne	NPR	61	32
CS[C@H](C)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852226708	FH	On-Demand	Anodyne	PDS	49	31
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOC3)C2)cc1	ZINC000852226716	DD	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOC3)C2)cc1	ZINC000852226716	DD	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOC3)C2)cc1	ZINC000852226717	DD	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOC3)C2)cc1	ZINC000852226717	DD	On-Demand	Clean	MCHR1	17	41
COCCN(CCF)C(=O)NCC(C)(C)C1CCCC1	ZINC000852226719	CF	On-Demand	Anodyne	AMY2	44	31
Cc1ccccc1C=NOCC(=O)Nc1cccc(F)c1	ZINC000852226730	CG	On-Demand	Mild	KCNK3	73	40
Cc1ccccc1C=NOCC(=O)Nc1cccc(F)c1	ZINC000852226730	CG	On-Demand	Mild	KCNK9	66	40
CCCCCCCCNC(=O)N1C[C@@H]2COC[C@@]2(C)C1	ZINC000852226756	CG	On-Demand	Mild	ASAH1	82	34
CCCCCCCCNC(=O)N1C[C@H]2COC[C@@]2(C)C1	ZINC000852226757	CG	On-Demand	Mild	ASAH1	82	34
CCCCCCCCNC(=O)N1C[C@H]2COC[C@]2(C)C1	ZINC000852226758	CG	On-Demand	Mild	ASAH1	82	34
CCCCCCCCNC(=O)N1C[C@@H]2COC[C@]2(C)C1	ZINC000852226759	CG	On-Demand	Mild	ASAH1	82	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCC[C@@H](C)O1	ZINC000852226762	EF	On-Demand	Anodyne	CAPNS1	51	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCC[C@@H](C)O1	ZINC000852226762	EF	On-Demand	Anodyne	CAPN1	51	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCC[C@@H](C)O1	ZINC000852226762	EF	On-Demand	Anodyne	CAPN2	83	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1CCC[C@@H](C)O1	ZINC000852226762	EF	On-Demand	Anodyne	NPR	60	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H](C)O1	ZINC000852226764	EF	On-Demand	Anodyne	CAPNS1	51	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H](C)O1	ZINC000852226764	EF	On-Demand	Anodyne	CAPN1	51	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H](C)O1	ZINC000852226764	EF	On-Demand	Anodyne	CAPN2	83	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H](C)O1	ZINC000852226764	EF	On-Demand	Anodyne	NPR	60	31
C[C@H]1CCC[C@@H](CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)O1	ZINC000852226765	EF	On-Demand	Anodyne	CAPNS1	51	31
C[C@H]1CCC[C@@H](CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)O1	ZINC000852226765	EF	On-Demand	Anodyne	CAPN1	51	42
C[C@H]1CCC[C@@H](CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)O1	ZINC000852226765	EF	On-Demand	Anodyne	CAPN2	83	42
C[C@H]1CCC[C@@H](CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)O1	ZINC000852226765	EF	On-Demand	Anodyne	NPR	60	31
CCCCCCCCNC(=O)NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	ZINC000852226768	GF	On-Demand	Reactive	ASAH1	57	32
COC(=O)N(C)CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226769	FD	On-Demand	Anodyne	KLK3	76	34
COC(=O)N(C)CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226769	FD	On-Demand	Anodyne	CTSB	45	37
COC(=O)N(C)CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226769	FD	On-Demand	Anodyne	PAPA1_CARPA	56	37
COC(=O)N(C)CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226769	FD	On-Demand	Anodyne	CAPNS1	61	36
COC(=O)N(C)CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226769	FD	On-Demand	Anodyne	CAPN1	72	41
COC(=O)N(C)CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226769	FD	On-Demand	Anodyne	CAPN2	104	38
COC(=O)N(C)CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226769	FD	On-Demand	Anodyne	NPR	80	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226770	FD	On-Demand	Anodyne	KLK3	76	34
COC(=O)N(C)CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226770	FD	On-Demand	Anodyne	CTSB	45	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226770	FD	On-Demand	Anodyne	PAPA1_CARPA	56	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226770	FD	On-Demand	Anodyne	CAPNS1	61	36
COC(=O)N(C)CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226770	FD	On-Demand	Anodyne	CAPN1	72	41
COC(=O)N(C)CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226770	FD	On-Demand	Anodyne	CAPN2	104	38
COC(=O)N(C)CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852226770	FD	On-Demand	Anodyne	NPR	80	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1=CCCC1	ZINC000852226774	DF	On-Demand	Anodyne	CTSB	48	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1=CCCC1	ZINC000852226774	DF	On-Demand	Anodyne	PAPA1_CARPA	51	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1=CCCC1	ZINC000852226774	DF	On-Demand	Anodyne	CYSP_TRYCR	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1=CCCC1	ZINC000852226774	DF	On-Demand	Anodyne	CAPNS1	62	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1=CCCC1	ZINC000852226774	DF	On-Demand	Anodyne	CAPN1	69	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1=CCCC1	ZINC000852226774	DF	On-Demand	Anodyne	CAPN2	102	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1=CCCC1	ZINC000852226774	DF	On-Demand	Anodyne	NPR	72	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1=CCCC1	ZINC000852226774	DF	On-Demand	Anodyne	SLC12A5	51	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852226777	FE	On-Demand	Anodyne	KLK3	75	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852226777	FE	On-Demand	Anodyne	CAPNS1	41	29
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852226777	FE	On-Demand	Anodyne	CAPN2	45	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852226778	FE	On-Demand	Anodyne	KLK3	75	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852226778	FE	On-Demand	Anodyne	CAPNS1	41	29
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852226778	FE	On-Demand	Anodyne	CAPN2	45	32
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	GHRHR	40	34
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	ELANE	41	38
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	CTRA_BOVIN	53	32
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	CYSP_TRYCR	47	36
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	CAPNS1	56	31
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	CELA2A	48	32
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	CAPN1	54	39
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	CAPN2	78	35
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	KLK5	43	41
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	NPR	63	33
C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852226785	GF	On-Demand	Anodyne	SLC12A5	48	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	GHRHR	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	ELANE	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	CTRA_BOVIN	53	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	CYSP_TRYCR	47	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	CAPNS1	56	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	CELA2A	48	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	CAPN1	54	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	CAPN2	78	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	KLK5	43	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	NPR	63	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C	ZINC000852226786	GF	On-Demand	Anodyne	SLC12A5	48	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	GHRHR	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	ELANE	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	CTRA_BOVIN	53	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	CYSP_TRYCR	47	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	CAPNS1	56	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	CELA2A	48	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	CAPN1	54	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	CAPN2	78	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	KLK5	43	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	NPR	63	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852226788	GF	On-Demand	Anodyne	SLC12A5	48	32
CCCCCCCCNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852226789	FH	On-Demand	Mild	EPHX2	22	43
CCCCCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852226795	FF	On-Demand	Mild	CA2	31	45
CCCCCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852226795	FF	On-Demand	Mild	CA1	26	43
CCCCCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852226795	FF	On-Demand	Mild	CA7	19	40
CCCCCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852226795	FF	On-Demand	Mild	TRPV1	20	45
CCCCCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852226795	FF	On-Demand	Mild	CA4	20	43
CCCCCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852226795	FF	On-Demand	Mild	GRIA1	52	38
CCCCCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852226795	FF	On-Demand	Mild	S1PR2	41	35
CCCCCCCCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852226795	FF	On-Demand	Mild	ASAH1	86	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1c(C2CC2)cnn1C	ZINC000852226801	FF	On-Demand	Anodyne	CAPNS1	42	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1c(C2CC2)cnn1C	ZINC000852226801	FF	On-Demand	Anodyne	CAPN1	43	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1c(C2CC2)cnn1C	ZINC000852226801	FF	On-Demand	Anodyne	CAPN2	69	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOc2ccc(O)cc2C1	ZINC000852226812	GF	On-Demand	Anodyne	CAPNS1	41	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOc2ccc(O)cc2C1	ZINC000852226812	GF	On-Demand	Anodyne	CAPN1	52	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOc2ccc(O)cc2C1	ZINC000852226812	GF	On-Demand	Anodyne	CAPN2	71	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOc2ccc(O)cc2C1	ZINC000852226812	GF	On-Demand	Anodyne	NPR	61	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOc2ccc(O)cc2C1	ZINC000852226812	GF	On-Demand	Anodyne	Q6PRC7_IXORI	59	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1nc(C(N)=O)cs1	ZINC000852226827	GD	On-Demand	Anodyne	CAPNS1	52	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1nc(C(N)=O)cs1	ZINC000852226827	GD	On-Demand	Anodyne	CAPN1	49	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1nc(C(N)=O)cs1	ZINC000852226827	GD	On-Demand	Anodyne	CAPN2	69	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1nc(C(N)=O)cs1	ZINC000852226827	GD	On-Demand	Anodyne	NPR	63	33
CCCCCCCCNC(=O)NC[C@@H]1CCCO[C@H]1c1ccnn1C	ZINC000852226833	FH	On-Demand	Mild	ASAH1	41	32
CCCCCCCCNC(=O)N(C)Cc1cnc[nH]1	ZINC000852226834	CF	On-Demand	Mild	ASAH1	84	36
CCCCCCCCNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852226835	EF	On-Demand	Mild	ASAH1	99	40
CCCCCCCCNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852226835	EF	On-Demand	Mild	LASR	48	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1=CCSC1	ZINC000852226837	EF	On-Demand	Anodyne	CAPNS1	56	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1=CCSC1	ZINC000852226837	EF	On-Demand	Anodyne	CAPN1	42	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1=CCSC1	ZINC000852226837	EF	On-Demand	Anodyne	CAPN2	60	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1=CCSC1	ZINC000852226837	EF	On-Demand	Anodyne	NPR	62	33
CCCCCCCCNC(=O)N(C)CC1=CCSC1	ZINC000852226843	CH	On-Demand	Mild	ASAH1	82	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852226849	GD	On-Demand	Anodyne	CTSK	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852226849	GD	On-Demand	Anodyne	CTSL	28	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852226849	GD	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852226849	GD	On-Demand	Anodyne	CAPN1	42	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852226849	GD	On-Demand	Anodyne	CAPN2	47	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852226849	GD	On-Demand	Anodyne	NPR	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852226849	GD	On-Demand	Anodyne	Q6PRC7_IXORI	55	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852226853	GD	On-Demand	Anodyne	CTSK	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852226853	GD	On-Demand	Anodyne	CTSL	28	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852226853	GD	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852226853	GD	On-Demand	Anodyne	CAPN1	42	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852226853	GD	On-Demand	Anodyne	CAPN2	47	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852226853	GD	On-Demand	Anodyne	NPR	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852226853	GD	On-Demand	Anodyne	Q6PRC7_IXORI	55	36
CCCCCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852226860	FH	On-Demand	Mild	EPHX2	28	42
CCCCCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852226860	FH	On-Demand	Mild	SPHK1	20	43
CCCCCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852226860	FH	On-Demand	Mild	ASAH1	87	38
CCCCCCCCNC(=O)NCc1c(C2CC2)cnn1C	ZINC000852226862	DG	On-Demand	Mild	EPHX2	21	41
CCCCCCCCNC(=O)NCc1c(C2CC2)cnn1C	ZINC000852226862	DG	On-Demand	Mild	ASAH1	83	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)[C@H]1c1ccncc1	ZINC000852226864	GH	On-Demand	Anodyne	SLC12A5	51	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)[C@@H]1c1ccncc1	ZINC000852226869	GH	On-Demand	Anodyne	SLC12A5	51	35
CCOc1cc(Cl)ccc1CNC(=O)NCc1ncccn1	ZINC000852226875	DF	On-Demand	Anodyne	P2RX7	42	41
CCOc1cc(Cl)ccc1CNC(=O)NCc1ncccn1	ZINC000852226875	DF	On-Demand	Anodyne	SCN10A	27	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852226886	GF	On-Demand	Anodyne	CAPN2	60	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852226886	GF	On-Demand	Anodyne	SLC12A5	41	34
CCC1(CNC(=O)N[C@@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)CC1	ZINC000852226896	GH	On-Demand	Anodyne	DRD4	19	41
CCC1(CNC(=O)N[C@@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)CC1	ZINC000852226896	GH	On-Demand	Anodyne	SIGMAR1	52	40
CCC1(CNC(=O)N[C@@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)CC1	ZINC000852226896	GH	On-Demand	Anodyne	NPFFR2	41	45
CCC1(CNC(=O)N[C@@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)CC1	ZINC000852226896	GH	On-Demand	Anodyne	NPFFR1	51	45
CCC1(CNC(=O)N[C@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)CC1	ZINC000852226898	GH	On-Demand	Anodyne	DRD4	19	41
CCC1(CNC(=O)N[C@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)CC1	ZINC000852226898	GH	On-Demand	Anodyne	SIGMAR1	52	40
CCC1(CNC(=O)N[C@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)CC1	ZINC000852226898	GH	On-Demand	Anodyne	NPFFR2	41	45
CCC1(CNC(=O)N[C@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)CC1	ZINC000852226898	GH	On-Demand	Anodyne	NPFFR1	51	45
CS(=O)(=O)N1CC[C@@H](CNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852226899	GD	On-Demand	Anodyne	HTR4	61	40
CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852226900	GD	On-Demand	Anodyne	HTR4	61	40
CCCCCCCCNC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852226901	DE	On-Demand	Mild	ASAH1	87	39
CCCCCCCCNC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852226902	DE	On-Demand	Mild	ASAH1	87	39
CS(=O)(=O)N1CC[C@@H](CNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852226903	GD	On-Demand	Anodyne	HTR4	61	40
CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852226905	GD	On-Demand	Anodyne	HTR4	61	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	KLK3	63	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	CTSB	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	CTSK	32	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	CTSL	39	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	CAPNS1	57	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	LGMN	47	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	CTSS	21	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	CAPN1	54	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	CAPN2	74	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)CC1CN(C)C1	ZINC000852226912	ED	On-Demand	Anodyne	NPR	61	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)C1CCC1	ZINC000852226921	ED	On-Demand	Anodyne	KLK3	78	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)C1CCC1	ZINC000852226921	ED	On-Demand	Anodyne	CAPNS1	58	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)C1CCC1	ZINC000852226921	ED	On-Demand	Anodyne	CAPN1	55	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)C1CCC1	ZINC000852226921	ED	On-Demand	Anodyne	CAPN2	86	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)C1CCC1	ZINC000852226921	ED	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H](CO)C1CCC1	ZINC000852226921	ED	On-Demand	Anodyne	BIRC2	25	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)C1CCC1	ZINC000852226922	ED	On-Demand	Anodyne	KLK3	78	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)C1CCC1	ZINC000852226922	ED	On-Demand	Anodyne	CAPNS1	58	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)C1CCC1	ZINC000852226922	ED	On-Demand	Anodyne	CAPN1	55	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)C1CCC1	ZINC000852226922	ED	On-Demand	Anodyne	CAPN2	86	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)C1CCC1	ZINC000852226922	ED	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](CO)C1CCC1	ZINC000852226922	ED	On-Demand	Anodyne	BIRC2	25	43
CCOc1cc(Cl)ccc1CNC(=O)NNC(=O)c1cn(C)nn1	ZINC000852226936	FD	On-Demand	Reactive	HCN1	48	33
CCOc1cc(Cl)ccc1CNC(=O)NNC(=O)c1cn(C)nn1	ZINC000852226936	FD	On-Demand	Reactive	HCN4	40	31
C[C@H]1C[C@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c2ncnn21	ZINC000852226937	FE	On-Demand	Anodyne	CAPNS1	56	32
C[C@H]1C[C@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c2ncnn21	ZINC000852226937	FE	On-Demand	Anodyne	CAPN1	50	39
C[C@H]1C[C@H](NC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c2ncnn21	ZINC000852226937	FE	On-Demand	Anodyne	CAPN2	80	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852226938	FE	On-Demand	Anodyne	CAPNS1	56	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852226938	FE	On-Demand	Anodyne	CAPN1	50	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852226938	FE	On-Demand	Anodyne	CAPN2	80	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852226939	FE	On-Demand	Anodyne	CAPNS1	56	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852226939	FE	On-Demand	Anodyne	CAPN1	50	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852226939	FE	On-Demand	Anodyne	CAPN2	80	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	OPRM1	15	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	OPRD1	15	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	CTSK	32	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	CTSL	37	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	CAPNS1	56	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	CTSS	17	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	CAPN1	52	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	CAPN2	84	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	NPR	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852226951	DC	On-Demand	Anodyne	NAAA	51	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	OPRM1	15	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	OPRD1	15	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	CTSK	32	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	CTSL	37	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	CAPNS1	56	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	CTSS	17	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	CAPN1	52	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	CAPN2	84	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	NPR	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852226953	DC	On-Demand	Anodyne	NAAA	51	39
CCOc1cc(Cl)ccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852226957	FF	On-Demand	Anodyne	SSTR5	47	37
CCOc1cc(Cl)ccc1CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852226957	FF	On-Demand	Anodyne	EPHX2	36	52
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852226972	FH	On-Demand	Anodyne	SLC6A3	22	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852226972	FH	On-Demand	Anodyne	ELANE	40	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852226972	FH	On-Demand	Anodyne	PREP	24	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852226972	FH	On-Demand	Anodyne	CAPNS1	50	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852226972	FH	On-Demand	Anodyne	LGMN	58	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852226972	FH	On-Demand	Anodyne	CAPN1	48	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852226972	FH	On-Demand	Anodyne	CAPN2	61	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852226973	FH	On-Demand	Anodyne	SLC6A3	22	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852226973	FH	On-Demand	Anodyne	ELANE	40	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852226973	FH	On-Demand	Anodyne	PREP	24	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852226973	FH	On-Demand	Anodyne	CAPNS1	50	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852226973	FH	On-Demand	Anodyne	LGMN	58	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852226973	FH	On-Demand	Anodyne	CAPN1	48	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852226973	FH	On-Demand	Anodyne	CAPN2	61	32
CCCCCCCCNC(=O)NCc1cn(CC)nn1	ZINC000852226991	CE	On-Demand	Mild	GBA	16	52
CCCCCCCCNC(=O)NCc1cn(CC)nn1	ZINC000852226991	CE	On-Demand	Mild	EPHX2	19	40
CCCCCCCCNC(=O)NCc1cn(CC)nn1	ZINC000852226991	CE	On-Demand	Mild	ASAH1	97	38
CCCCCCCCNC(=O)NCc1nc(C(N)=O)cs1	ZINC000852226995	DE	On-Demand	Mild	ASAH1	79	38
CCCCCCCCNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1CC	ZINC000852227005	FF	On-Demand	Mild	ASAH1	76	35
CCCCCCCCNC(=O)N[C@H]1CCC(=O)N[C@H]1c1ccnn1CC	ZINC000852227006	FF	On-Demand	Mild	ASAH1	76	35
CCCCCCCCNC(=O)N[C@@H]1CCC(=O)N[C@@H]1c1ccnn1CC	ZINC000852227007	FF	On-Demand	Mild	ASAH1	76	35
CCCCCCCCNC(=O)N[C@H]1CCC(=O)N[C@@H]1c1ccnn1CC	ZINC000852227008	FF	On-Demand	Mild	ASAH1	76	35
CCCCCCCCNC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1	ZINC000852227022	FF	On-Demand	Mild	ASAH1	90	34
CCCCCCCCNC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852227023	DF	On-Demand	Mild	TPP2	22	45
CCCCCCCCNC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852227023	DF	On-Demand	Mild	ASAH1	99	40
Cc1cncc(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)n1	ZINC000852227033	FE	On-Demand	Anodyne	CAPNS1	52	36
Cc1cncc(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)n1	ZINC000852227033	FE	On-Demand	Anodyne	CAPN1	52	37
Cc1cncc(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)n1	ZINC000852227033	FE	On-Demand	Anodyne	CAPN2	81	37
Cc1cncc(CCNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)n1	ZINC000852227033	FE	On-Demand	Anodyne	NPR	64	35
Cc1cncc(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)n1	ZINC000852227034	FE	On-Demand	Anodyne	CAPNS1	52	36
Cc1cncc(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)n1	ZINC000852227034	FE	On-Demand	Anodyne	CAPN1	52	37
Cc1cncc(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)n1	ZINC000852227034	FE	On-Demand	Anodyne	CAPN2	81	37
Cc1cncc(CCNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)n1	ZINC000852227034	FE	On-Demand	Anodyne	NPR	64	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	CTSB	43	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	PAPA1_CARPA	42	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	CTSK	34	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	CTSL	31	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	CAPNS1	57	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	CTSS	31	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	CAPN1	52	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	CAPN2	81	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	NPR	62	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1(C#N)CCCCC1	ZINC000852227036	FG	On-Demand	Mild	SLC12A5	59	37
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227042	FF	On-Demand	Anodyne	PAPA1_CARPA	40	35
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227042	FF	On-Demand	Anodyne	CAPNS1	52	36
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227042	FF	On-Demand	Anodyne	CAPN1	40	39
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227042	FF	On-Demand	Anodyne	CAPN2	52	34
Cc1nnc(CN(C)C(=O)N[C@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227042	FF	On-Demand	Anodyne	NPR	65	34
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227043	FF	On-Demand	Anodyne	PAPA1_CARPA	40	35
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227043	FF	On-Demand	Anodyne	CAPNS1	52	36
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227043	FF	On-Demand	Anodyne	CAPN1	40	39
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227043	FF	On-Demand	Anodyne	CAPN2	52	34
Cc1nnc(CN(C)C(=O)N[C@@H](C)CC(=O)OCc2ccccc2)s1	ZINC000852227043	FF	On-Demand	Anodyne	NPR	65	34
CCC1(CNC(=O)NCc2ncccn2)CCN(Cc2ccccc2)CC1	ZINC000852227045	FF	On-Demand	Anodyne	DRD4	24	43
CCC1(CNC(=O)NCc2ncccn2)CCN(Cc2ccccc2)CC1	ZINC000852227045	FF	On-Demand	Anodyne	ACHE	25	42
CCC1(CNC(=O)NCc2ncccn2)CCN(Cc2ccccc2)CC1	ZINC000852227045	FF	On-Demand	Anodyne	SIGMAR1	53	41
CCC1(CNC(=O)NCc2ncccn2)CCN(Cc2ccccc2)CC1	ZINC000852227045	FF	On-Demand	Anodyne	NPFFR2	45	51
CCC1(CNC(=O)NCc2ncccn2)CCN(Cc2ccccc2)CC1	ZINC000852227045	FF	On-Demand	Anodyne	NPFFR1	56	51
CCCCCCCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852227055	FF	On-Demand	Mild	EST1_PIG	46	35
CCCCCCCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852227055	FF	On-Demand	Mild	ASAH1	101	40
CCCCCCCCNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C(C)C	ZINC000852227056	GG	On-Demand	Mild	ASAH1	79	33
CCCCCCCCNC(=O)N1CCc2nccnc2C1	ZINC000852227058	CF	On-Demand	Mild	ASAH1	104	40
CCCCCCCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC	ZINC000852227059	DD	On-Demand	Mild	EPHX2	22	48
CCCCCCCCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC	ZINC000852227060	DD	On-Demand	Mild	EPHX2	22	48
CCCCCCCCNC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC	ZINC000852227061	DD	On-Demand	Mild	EPHX2	22	48
CCCCCCCCNC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC	ZINC000852227062	DD	On-Demand	Mild	EPHX2	22	48
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	ACE	53	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	GHRHR	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	GRIN2B	29	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	CTRA_BOVIN	47	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	KLK3	63	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	CTSB	41	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	CYSP_TRYCR	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	CTSK	44	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	CTSL	44	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	PREP	33	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	CAPNS1	62	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	CAPN1	65	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	CAPN2	86	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	TGM2	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	RBP4	54	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	XIAP	32	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	BIRC2	48	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	Q6PRC7_IXORI	49	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852227063	DF	On-Demand	Anodyne	SLC12A5	49	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	ACE	53	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	GHRHR	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	GRIN2B	29	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	CTRA_BOVIN	47	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	KLK3	63	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	CTSB	41	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	CYSP_TRYCR	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	CTSK	44	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	CTSL	44	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	PREP	33	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	CAPNS1	62	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	CAPN1	65	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	CAPN2	86	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	TGM2	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	RBP4	54	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	XIAP	32	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	BIRC2	48	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	Q6PRC7_IXORI	49	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852227064	DF	On-Demand	Anodyne	SLC12A5	49	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	ACE	53	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	GHRHR	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	GRIN2B	29	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	CTRA_BOVIN	47	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	KLK3	63	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	CTSB	41	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	CYSP_TRYCR	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	CTSK	44	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	CTSL	44	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	PREP	33	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	CAPNS1	62	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	CAPN1	65	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	CAPN2	86	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	TGM2	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	RBP4	54	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	XIAP	32	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	BIRC2	48	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	Q6PRC7_IXORI	49	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852227065	DF	On-Demand	Anodyne	SLC12A5	49	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	ACE	53	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	GHRHR	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	GRIN2B	29	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	CTRA_BOVIN	47	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	KLK3	63	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	CTSB	41	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	CYSP_TRYCR	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	CTSK	44	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	CTSL	44	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	PREP	33	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	CAPNS1	62	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	CAPN1	65	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	CAPN2	86	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	TGM2	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	RBP4	54	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	XIAP	32	42
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	BIRC2	48	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	Q6PRC7_IXORI	49	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852227066	DF	On-Demand	Anodyne	SLC12A5	49	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	KLK3	48	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	CTSB	48	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	PAPA1_CARPA	67	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	CYSP_TRYCR	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	CTSK	28	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	CAPNS1	55	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	MMP11	59	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	CAPN1	65	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	CAPN2	95	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852227087	FC	On-Demand	Reactive	NPR	70	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCO1	ZINC000852227095	DD	On-Demand	Anodyne	CTSB	40	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCO1	ZINC000852227095	DD	On-Demand	Anodyne	CAPNS1	57	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCO1	ZINC000852227095	DD	On-Demand	Anodyne	CAPN1	60	55
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCO1	ZINC000852227095	DD	On-Demand	Anodyne	CAPN2	103	55
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCO1	ZINC000852227095	DD	On-Demand	Anodyne	NPR	62	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1CCCO1	ZINC000852227095	DD	On-Demand	Anodyne	SLC12A5	42	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC(C)(C)C1	ZINC000852227108	EE	On-Demand	Anodyne	CAPNS1	58	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC(C)(C)C1	ZINC000852227108	EE	On-Demand	Anodyne	CAPN1	49	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC(C)(C)C1	ZINC000852227108	EE	On-Demand	Anodyne	CAPN2	74	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC(C)(C)C1	ZINC000852227108	EE	On-Demand	Anodyne	NPR	46	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1COC(C)(C)C1	ZINC000852227108	EE	On-Demand	Anodyne	SLC12A5	47	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC(C)(C)C1	ZINC000852227110	EE	On-Demand	Anodyne	CAPNS1	58	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC(C)(C)C1	ZINC000852227110	EE	On-Demand	Anodyne	CAPN1	49	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC(C)(C)C1	ZINC000852227110	EE	On-Demand	Anodyne	CAPN2	74	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC(C)(C)C1	ZINC000852227110	EE	On-Demand	Anodyne	NPR	46	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1COC(C)(C)C1	ZINC000852227110	EE	On-Demand	Anodyne	SLC12A5	47	32
COc1ccc(N2CC[C@H](NC(=O)NCC3(C4CC4)CC3)C2)cc1	ZINC000852227114	EF	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NCC3(C4CC4)CC3)C2)cc1	ZINC000852227114	EF	On-Demand	Clean	MTNR1B	20	47
COCc1csc(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c1	ZINC000852227124	GG	On-Demand	Anodyne	CAPNS1	56	32
COCc1csc(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c1	ZINC000852227124	GG	On-Demand	Anodyne	CAPN1	52	35
COCc1csc(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c1	ZINC000852227124	GG	On-Demand	Anodyne	CAPN2	79	33
COCc1csc(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c1	ZINC000852227124	GG	On-Demand	Anodyne	NPR	62	33
COCc1csc(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c1	ZINC000852227126	GG	On-Demand	Anodyne	CAPNS1	56	32
COCc1csc(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c1	ZINC000852227126	GG	On-Demand	Anodyne	CAPN1	52	35
COCc1csc(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c1	ZINC000852227126	GG	On-Demand	Anodyne	CAPN2	79	33
COCc1csc(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c1	ZINC000852227126	GG	On-Demand	Anodyne	NPR	62	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852227139	GD	On-Demand	Anodyne	CTSK	27	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852227139	GD	On-Demand	Anodyne	CAPN2	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852227139	GD	On-Demand	Anodyne	BIRC2	27	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852227144	GD	On-Demand	Anodyne	CTSK	27	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852227144	GD	On-Demand	Anodyne	CAPN2	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852227144	GD	On-Demand	Anodyne	BIRC2	27	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	ACE	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	GHRHR	57	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	GRIN2B	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	KLK3	41	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	CTSB	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	CYSP_TRYCR	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	CTSK	38	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	CTSL	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	CAPNS1	60	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	CTSS	33	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	CAPN1	52	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	CAPN2	74	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	KLK5	40	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	BIRC2	32	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852227145	EE	On-Demand	Anodyne	Q6PRC7_IXORI	51	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	ACE	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	GHRHR	57	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	GRIN2B	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	KLK3	41	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	CTSB	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	CYSP_TRYCR	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	CTSK	38	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	CTSL	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	CAPNS1	60	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	CTSS	33	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	CAPN1	52	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	CAPN2	74	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	KLK5	40	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	BIRC2	32	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852227147	EE	On-Demand	Anodyne	Q6PRC7_IXORI	51	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	ACE	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	GHRHR	57	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	GRIN2B	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	KLK3	41	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	CTSB	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	CYSP_TRYCR	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	CTSK	38	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	CTSL	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	CAPNS1	60	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	CTSS	33	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	CAPN1	52	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	CAPN2	74	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	KLK5	40	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	BIRC2	32	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852227149	EE	On-Demand	Anodyne	Q6PRC7_IXORI	51	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	ACE	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	GHRHR	57	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	GRIN2B	25	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	KLK3	41	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	CTSB	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	CYSP_TRYCR	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	CTSK	38	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	CTSL	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	CAPNS1	60	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	CTSS	33	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	CAPN1	52	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	CAPN2	74	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	KLK5	40	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	NPR	64	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	BIRC2	32	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852227151	EE	On-Demand	Anodyne	Q6PRC7_IXORI	51	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	ANPEP	24	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	KLK3	47	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	CTSB	51	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	PAPA1_CARPA	55	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	CYSP_TRYCR	44	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	CTSK	29	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	CAPNS1	65	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	CAPN1	82	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	CAPN2	116	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852227157	ED	On-Demand	Anodyne	NPR	77	35
CCCCCCCCNC(=O)NCc1ccnn1CC	ZINC000852227160	CG	On-Demand	Mild	EPHX2	18	42
CCCCCCCCNC(=O)NCc1ccnn1CC	ZINC000852227160	CG	On-Demand	Mild	ASAH1	98	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@](C)(C#N)C1	ZINC000852227174	EE	On-Demand	Mild	GHRHR	58	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@](C)(C#N)C1	ZINC000852227174	EE	On-Demand	Mild	CTSK	27	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@](C)(C#N)C1	ZINC000852227174	EE	On-Demand	Mild	CTSL	26	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@](C)(C#N)C1	ZINC000852227174	EE	On-Demand	Mild	CAPNS1	51	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@](C)(C#N)C1	ZINC000852227174	EE	On-Demand	Mild	CAPN2	45	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@](C)(C#N)C1	ZINC000852227174	EE	On-Demand	Mild	SLC12A5	70	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@](C)(C#N)C1	ZINC000852227178	EE	On-Demand	Mild	GHRHR	58	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@](C)(C#N)C1	ZINC000852227178	EE	On-Demand	Mild	CTSK	27	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@](C)(C#N)C1	ZINC000852227178	EE	On-Demand	Mild	CTSL	26	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@](C)(C#N)C1	ZINC000852227178	EE	On-Demand	Mild	CAPNS1	51	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@](C)(C#N)C1	ZINC000852227178	EE	On-Demand	Mild	CAPN2	45	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@](C)(C#N)C1	ZINC000852227178	EE	On-Demand	Mild	SLC12A5	70	38
Cc1ccccc1C=NOCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852227200	DH	On-Demand	Mild	HTR7	15	50
Cc1ccccc1C=NOCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852227200	DH	On-Demand	Mild	BDKRB1	44	40
Cc1ccccc1C=NOCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852227200	DH	On-Demand	Mild	PLM1_PLAFA	41	36
Cc1ccccc1C=NOCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852227200	DH	On-Demand	Mild	BIRC2	40	37
Cc1ccccc1C=NOCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852227202	DH	On-Demand	Mild	HTR7	15	50
Cc1ccccc1C=NOCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852227202	DH	On-Demand	Mild	BDKRB1	44	40
Cc1ccccc1C=NOCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852227202	DH	On-Demand	Mild	PLM1_PLAFA	41	36
Cc1ccccc1C=NOCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852227202	DH	On-Demand	Mild	BIRC2	40	37
CCCCCCCCNC(=O)N(C)Cc1cn(C)nn1	ZINC000852227205	CE	On-Demand	Mild	ASAH1	99	40
CCSC1(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227221	FG	On-Demand	Anodyne	CTSB	44	35
CCSC1(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227221	FG	On-Demand	Anodyne	PAPA1_CARPA	46	34
CCSC1(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227221	FG	On-Demand	Anodyne	CAPNS1	60	35
CCSC1(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227221	FG	On-Demand	Anodyne	CAPN1	69	36
CCSC1(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227221	FG	On-Demand	Anodyne	CAPN2	103	36
CCSC1(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227221	FG	On-Demand	Anodyne	NPR	73	34
CCSC1(CNC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227221	FG	On-Demand	Anodyne	SLC12A5	57	34
CCSC1(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227223	FG	On-Demand	Anodyne	CTSB	44	35
CCSC1(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227223	FG	On-Demand	Anodyne	PAPA1_CARPA	46	34
CCSC1(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227223	FG	On-Demand	Anodyne	CAPNS1	60	35
CCSC1(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227223	FG	On-Demand	Anodyne	CAPN1	69	36
CCSC1(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227223	FG	On-Demand	Anodyne	CAPN2	103	36
CCSC1(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227223	FG	On-Demand	Anodyne	NPR	73	34
CCSC1(CNC(=O)N[C@H](C)CC(=O)OCc2ccccc2)CC1	ZINC000852227223	FG	On-Demand	Anodyne	SLC12A5	57	34
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	CASP3	15	40
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	KLK3	47	33
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	CTSB	53	39
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	PAPA1_CARPA	61	34
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	CTSK	37	42
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	CAPNS1	61	34
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	CAPN1	78	41
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	CAPN2	122	41
CC[C@@H](NC(=O)N[C@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227232	DF	On-Demand	Anodyne	NPR	67	35
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	CASP3	15	40
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	KLK3	47	33
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	CTSB	53	39
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	PAPA1_CARPA	61	34
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	CTSK	37	42
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	CAPNS1	61	34
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	CAPN1	78	41
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	CAPN2	122	41
CC[C@@H](NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1)C1CC1	ZINC000852227233	DF	On-Demand	Anodyne	NPR	67	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852227255	GF	On-Demand	Anodyne	CAPN2	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852227255	GF	On-Demand	Anodyne	KLK5	40	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852227255	GF	On-Demand	Anodyne	Q6PRC7_IXORI	59	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852227255	GF	On-Demand	Anodyne	SLC12A5	48	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C	ZINC000852227256	FF	On-Demand	Anodyne	CTRA_BOVIN	63	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C	ZINC000852227256	FF	On-Demand	Anodyne	CTSG	43	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C	ZINC000852227256	FF	On-Demand	Anodyne	CAPNS1	61	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C	ZINC000852227256	FF	On-Demand	Anodyne	CELA2A	51	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C	ZINC000852227256	FF	On-Demand	Anodyne	CAPN1	50	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C	ZINC000852227256	FF	On-Demand	Anodyne	CAPN2	70	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C	ZINC000852227256	FF	On-Demand	Anodyne	NPR	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC2(CCC2)OC[C@H]1C	ZINC000852227256	FF	On-Demand	Anodyne	SLC12A5	67	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852227257	GF	On-Demand	Anodyne	CAPN2	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852227257	GF	On-Demand	Anodyne	KLK5	40	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852227257	GF	On-Demand	Anodyne	Q6PRC7_IXORI	59	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852227257	GF	On-Demand	Anodyne	SLC12A5	48	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1cscn1	ZINC000852227264	EG	On-Demand	Anodyne	BMP1	16	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1cscn1	ZINC000852227264	EG	On-Demand	Anodyne	CAPNS1	53	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1cscn1	ZINC000852227264	EG	On-Demand	Anodyne	CAPN1	56	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1cscn1	ZINC000852227264	EG	On-Demand	Anodyne	CAPN2	84	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H](C)c1cscn1	ZINC000852227264	EG	On-Demand	Anodyne	NPR	63	32
CCCCCCCCNC(=O)NCc1nccc(OC)c1F	ZINC000852227269	DG	On-Demand	Mild	ASAH1	87	38
C#CC[C@H](NC(=O)N1CCc2ccc(C)cc2C1)c1ccccc1	ZINC000852227305	DH	On-Demand	Mild	MAPK1	40	33
C#CC[C@H](NC(=O)N1CCc2ccc(C)cc2C1)c1ccccc1	ZINC000852227305	DH	On-Demand	Mild	HDAC6	20	40
C#CC[C@@H](NC(=O)N1CCc2ccc(C)cc2C1)c1ccccc1	ZINC000852227306	DH	On-Demand	Mild	MAPK1	40	33
C#CC[C@@H](NC(=O)N1CCc2ccc(C)cc2C1)c1ccccc1	ZINC000852227306	DH	On-Demand	Mild	HDAC6	20	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852227381	GF	On-Demand	Anodyne	ANPEP	23	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852227381	GF	On-Demand	Anodyne	CAPNS1	57	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852227381	GF	On-Demand	Anodyne	CAPN1	57	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852227381	GF	On-Demand	Anodyne	CAPN2	86	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852227381	GF	On-Demand	Anodyne	NPR	61	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852227381	GF	On-Demand	Anodyne	PDS	50	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	ACE	41	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	GHRHR	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	CTRA_BOVIN	40	29
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	KLK3	69	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	CTSB	33	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	CTSK	42	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	CTSL	44	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	DPP4	16	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	PREP	43	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	CAPNS1	45	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	REN	49	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	LGMN	76	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	CTSS	45	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	CAPN1	40	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	CAPN2	40	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	BIRC2	29	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852227385	EF	On-Demand	Mild	SLC12A5	46	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	ACE	41	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	GHRHR	48	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	CTRA_BOVIN	40	29
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	KLK3	69	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	CTSB	33	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	CTSK	42	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	CTSL	44	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	DPP4	16	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	PREP	43	47
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	CAPNS1	45	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	REN	49	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	LGMN	76	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	CTSS	45	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	CAPN1	40	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	CAPN2	40	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	BIRC2	29	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852227387	EF	On-Demand	Mild	SLC12A5	46	37
Cc1ccncc1CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852227393	FF	On-Demand	Anodyne	CAPNS1	52	36
Cc1ccncc1CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852227393	FF	On-Demand	Anodyne	CAPN1	51	38
Cc1ccncc1CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852227393	FF	On-Demand	Anodyne	CAPN2	81	38
Cc1ccncc1CCNC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852227393	FF	On-Demand	Anodyne	NPR	69	37
Cc1ccncc1CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852227394	FF	On-Demand	Anodyne	CAPNS1	52	36
Cc1ccncc1CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852227394	FF	On-Demand	Anodyne	CAPN1	51	38
Cc1ccncc1CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852227394	FF	On-Demand	Anodyne	CAPN2	81	38
Cc1ccncc1CCNC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852227394	FF	On-Demand	Anodyne	NPR	69	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852227397	FD	On-Demand	Anodyne	CAPN1	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852227397	FD	On-Demand	Anodyne	CAPN2	46	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852227397	FD	On-Demand	Anodyne	BIRC2	35	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852227397	FD	On-Demand	Anodyne	Q6PRC7_IXORI	44	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852227398	FD	On-Demand	Anodyne	CAPN1	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852227398	FD	On-Demand	Anodyne	CAPN2	46	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852227398	FD	On-Demand	Anodyne	BIRC2	35	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852227398	FD	On-Demand	Anodyne	Q6PRC7_IXORI	44	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852227399	FD	On-Demand	Anodyne	CAPN1	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852227399	FD	On-Demand	Anodyne	CAPN2	46	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852227399	FD	On-Demand	Anodyne	BIRC2	35	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852227399	FD	On-Demand	Anodyne	Q6PRC7_IXORI	44	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852227400	FD	On-Demand	Anodyne	CAPN1	40	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852227400	FD	On-Demand	Anodyne	CAPN2	46	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852227400	FD	On-Demand	Anodyne	BIRC2	35	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852227400	FD	On-Demand	Anodyne	Q6PRC7_IXORI	44	34
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227406	GE	On-Demand	Clean	DRD4	32	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227406	GE	On-Demand	Clean	SIGMAR1	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227406	GE	On-Demand	Clean	HRH4	43	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227406	GE	On-Demand	Clean	EBP	27	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227406	GE	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227406	GE	On-Demand	Clean	MCHR1	16	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227408	GE	On-Demand	Clean	DRD4	32	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227408	GE	On-Demand	Clean	SIGMAR1	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227408	GE	On-Demand	Clean	HRH4	43	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227408	GE	On-Demand	Clean	EBP	27	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227408	GE	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccn4)C3)C2)cc1	ZINC000852227408	GE	On-Demand	Clean	MCHR1	16	43
C#CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227508	FG	On-Demand	Mild	EDNRA	20	40
C#CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227508	FG	On-Demand	Mild	CCR5	16	47
C#CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227508	FG	On-Demand	Mild	MTNR1B	17	44
C#CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227510	FG	On-Demand	Mild	EDNRA	20	40
C#CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227510	FG	On-Demand	Mild	CCR5	16	47
C#CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227510	FG	On-Demand	Mild	MTNR1B	17	44
C#CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227512	FG	On-Demand	Mild	EDNRA	20	40
C#CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227512	FG	On-Demand	Mild	CCR5	16	47
C#CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227512	FG	On-Demand	Mild	MTNR1B	17	44
C#CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227513	FG	On-Demand	Mild	EDNRA	20	40
C#CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227513	FG	On-Demand	Mild	CCR5	16	47
C#CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852227513	FG	On-Demand	Mild	MTNR1B	17	44
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852227614	FF	On-Demand	Anodyne	CTSB	47	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852227614	FF	On-Demand	Anodyne	PAPA1_CARPA	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852227614	FF	On-Demand	Anodyne	CAPNS1	60	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852227614	FF	On-Demand	Anodyne	CAPN1	69	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852227614	FF	On-Demand	Anodyne	CAPN2	107	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852227614	FF	On-Demand	Anodyne	NPR	69	34
CCCCCCCCNC(=O)NNC(=O)c1cccc(F)n1	ZINC000852227616	DF	On-Demand	Reactive	ASAH1	93	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1C(C)(C)C1(F)F	ZINC000852227623	FG	On-Demand	Anodyne	KLK3	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1C(C)(C)C1(F)F	ZINC000852227623	FG	On-Demand	Anodyne	CTSB	44	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1C(C)(C)C1(F)F	ZINC000852227623	FG	On-Demand	Anodyne	PAPA1_CARPA	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1C(C)(C)C1(F)F	ZINC000852227623	FG	On-Demand	Anodyne	CAPNS1	59	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1C(C)(C)C1(F)F	ZINC000852227623	FG	On-Demand	Anodyne	CAPN1	69	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1C(C)(C)C1(F)F	ZINC000852227623	FG	On-Demand	Anodyne	CAPN2	103	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@H]1C(C)(C)C1(F)F	ZINC000852227623	FG	On-Demand	Anodyne	NPR	70	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1C(C)(C)C1(F)F	ZINC000852227624	FG	On-Demand	Anodyne	KLK3	52	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1C(C)(C)C1(F)F	ZINC000852227624	FG	On-Demand	Anodyne	CTSB	44	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1C(C)(C)C1(F)F	ZINC000852227624	FG	On-Demand	Anodyne	PAPA1_CARPA	40	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1C(C)(C)C1(F)F	ZINC000852227624	FG	On-Demand	Anodyne	CAPNS1	59	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1C(C)(C)C1(F)F	ZINC000852227624	FG	On-Demand	Anodyne	CAPN1	69	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1C(C)(C)C1(F)F	ZINC000852227624	FG	On-Demand	Anodyne	CAPN2	103	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC[C@@H]1C(C)(C)C1(F)F	ZINC000852227624	FG	On-Demand	Anodyne	NPR	70	35
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852227630	GG	On-Demand	Anodyne	CAPNS1	55	32
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852227630	GG	On-Demand	Anodyne	CAPN1	47	36
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852227630	GG	On-Demand	Anodyne	CAPN2	62	32
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852227631	GG	On-Demand	Anodyne	CAPNS1	55	32
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852227631	GG	On-Demand	Anodyne	CAPN1	47	36
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852227631	GG	On-Demand	Anodyne	CAPN2	62	32
CN1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000852227632	GG	On-Demand	Anodyne	ENV	44	39
CN1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000852227633	GG	On-Demand	Anodyne	ENV	44	39
CN1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000852227634	GG	On-Demand	Anodyne	ENV	44	39
CN1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000852227635	GG	On-Demand	Anodyne	ENV	44	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@](C)(C(F)F)C1	ZINC000852227640	FF	On-Demand	Anodyne	CAPNS1	41	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@](C)(C(F)F)C1	ZINC000852227640	FF	On-Demand	Anodyne	CAPN2	42	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@](C)(C(F)F)C1	ZINC000852227640	FF	On-Demand	Anodyne	SLC12A5	65	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@](C)(C(F)F)C1	ZINC000852227641	FF	On-Demand	Anodyne	CAPNS1	41	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@](C)(C(F)F)C1	ZINC000852227641	FF	On-Demand	Anodyne	CAPN2	42	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCO[C@@](C)(C(F)F)C1	ZINC000852227641	FF	On-Demand	Anodyne	SLC12A5	65	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@]1(C)CC1(F)F	ZINC000852227645	FG	On-Demand	Anodyne	PAPA1_CARPA	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@]1(C)CC1(F)F	ZINC000852227645	FG	On-Demand	Anodyne	CAPNS1	58	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@]1(C)CC1(F)F	ZINC000852227645	FG	On-Demand	Anodyne	CAPN1	62	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@]1(C)CC1(F)F	ZINC000852227645	FG	On-Demand	Anodyne	CAPN2	94	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@]1(C)CC1(F)F	ZINC000852227645	FG	On-Demand	Anodyne	NPR	68	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@@]1(C)CC1(F)F	ZINC000852227646	FG	On-Demand	Anodyne	PAPA1_CARPA	43	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@@]1(C)CC1(F)F	ZINC000852227646	FG	On-Demand	Anodyne	CAPNS1	58	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@@]1(C)CC1(F)F	ZINC000852227646	FG	On-Demand	Anodyne	CAPN1	62	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@@]1(C)CC1(F)F	ZINC000852227646	FG	On-Demand	Anodyne	CAPN2	94	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCC[C@@]1(C)CC1(F)F	ZINC000852227646	FG	On-Demand	Anodyne	NPR	68	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852227653	GG	On-Demand	Anodyne	CTSK	31	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852227653	GG	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852227653	GG	On-Demand	Anodyne	CAPN1	41	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852227653	GG	On-Demand	Anodyne	CAPN2	51	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852227653	GG	On-Demand	Anodyne	KLK5	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852227653	GG	On-Demand	Anodyne	BIRC2	28	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852227653	GG	On-Demand	Anodyne	Q6PRC7_IXORI	51	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852227653	GG	On-Demand	Anodyne	SLC12A5	59	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852227654	GG	On-Demand	Anodyne	CTSK	31	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852227654	GG	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852227654	GG	On-Demand	Anodyne	CAPN1	41	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852227654	GG	On-Demand	Anodyne	CAPN2	51	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852227654	GG	On-Demand	Anodyne	KLK5	41	38
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852227654	GG	On-Demand	Anodyne	BIRC2	28	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852227654	GG	On-Demand	Anodyne	Q6PRC7_IXORI	51	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852227654	GG	On-Demand	Anodyne	SLC12A5	59	35
CCCCCCCCNC(=O)NCc1ncccn1	ZINC000852227661	CF	On-Demand	Mild	EPHX2	23	46
CCCCCCCCNC(=O)NCc1ncccn1	ZINC000852227661	CF	On-Demand	Mild	ASAH1	99	37
CCCCCCCCNC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852227662	EE	On-Demand	Mild	ASAH1	97	37
CCCCCCCCNC(=O)N1CCc2c(cccc2C(N)=O)C1	ZINC000852227663	EG	On-Demand	Mild	ASAH1	95	37
Cc1ccccc1C=NOCc1cccc2ccccc12	ZINC000852227664	CJ	On-Demand	Mild	CHAT	46	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cn(C)nn1	ZINC000852227685	ED	On-Demand	Anodyne	KLK3	60	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cn(C)nn1	ZINC000852227685	ED	On-Demand	Anodyne	PAPA1_CARPA	45	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cn(C)nn1	ZINC000852227685	ED	On-Demand	Anodyne	CAPNS1	54	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cn(C)nn1	ZINC000852227685	ED	On-Demand	Anodyne	CAPN1	56	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cn(C)nn1	ZINC000852227685	ED	On-Demand	Anodyne	CAPN2	80	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cn(C)nn1	ZINC000852227685	ED	On-Demand	Anodyne	NPR	68	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N(C)Cc1cn(C)nn1	ZINC000852227685	ED	On-Demand	Anodyne	Q6PRC7_IXORI	40	30
CCCCCCCCNC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852227689	DF	On-Demand	Mild	ASAH1	102	39
COc1ccc(N2CC[C@H](NC(=O)NCCc3cnc(C4CC4)nc3)C2)cc1	ZINC000852227750	GE	On-Demand	Clean	MTNR1A	18	42
CCC1(CNC(=O)N(CCF)CCOC)CCN(Cc2ccccc2)CC1	ZINC000852227817	GG	On-Demand	Anodyne	SIGMAR1	47	41
CCC1(CNC(=O)N(CCF)CCOC)CCN(Cc2ccccc2)CC1	ZINC000852227817	GG	On-Demand	Anodyne	NPFFR2	35	45
CCC1(CNC(=O)N(CCF)CCOC)CCN(Cc2ccccc2)CC1	ZINC000852227817	GG	On-Demand	Anodyne	NPFFR1	46	45
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C[C@](C)(C(F)F)O1	ZINC000852227818	GF	On-Demand	Anodyne	CTRA_BOVIN	53	31
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C[C@](C)(C(F)F)O1	ZINC000852227818	GF	On-Demand	Anodyne	CELA2A	47	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1	ZINC000852227819	GF	On-Demand	Anodyne	CTRA_BOVIN	53	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1	ZINC000852227819	GF	On-Demand	Anodyne	CELA2A	47	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1	ZINC000852227820	GF	On-Demand	Anodyne	CTRA_BOVIN	53	31
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1	ZINC000852227820	GF	On-Demand	Anodyne	CELA2A	47	31
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C[C@@](C)(C(F)F)O1	ZINC000852227821	GF	On-Demand	Anodyne	CTRA_BOVIN	53	31
C[C@H]1CN(C(=O)N[C@H](C)CC(=O)OCc2ccccc2)C[C@@](C)(C(F)F)O1	ZINC000852227821	GF	On-Demand	Anodyne	CELA2A	47	31
CCCCCCCCNC(=O)N1CC[C@@](C)(C#N)C1	ZINC000852227824	CG	On-Demand	Mild	ASAH1	93	36
CCCCCCCCNC(=O)N1CC[C@](C)(C#N)C1	ZINC000852227825	CG	On-Demand	Mild	ASAH1	93	36
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)S(C)(=O)=O)C2)cc1	ZINC000852227842	FD	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)S(C)(=O)=O)C2)cc1	ZINC000852227842	FD	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)S(C)(=O)=O)C2)cc1	ZINC000852227846	FD	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)S(C)(=O)=O)C2)cc1	ZINC000852227846	FD	On-Demand	Clean	MTNR1B	15	45
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852227866	GE	On-Demand	Anodyne	CTSB	23	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852227866	GE	On-Demand	Anodyne	CTSK	23	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852227866	GE	On-Demand	Anodyne	CTSS	15	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852227866	GE	On-Demand	Anodyne	CAPN1	41	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852227866	GE	On-Demand	Anodyne	CAPN2	50	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852227866	GE	On-Demand	Anodyne	BIRC2	24	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852227872	GE	On-Demand	Anodyne	CTSB	23	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852227872	GE	On-Demand	Anodyne	CTSK	23	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852227872	GE	On-Demand	Anodyne	CTSS	15	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852227872	GE	On-Demand	Anodyne	CAPN1	41	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852227872	GE	On-Demand	Anodyne	CAPN2	50	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852227872	GE	On-Demand	Anodyne	BIRC2	24	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	GHRHR	52	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	CTRA_BOVIN	59	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	CYSP_TRYCR	43	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	CTSG	41	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	CAPNS1	61	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	CELA2A	49	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	CAPN1	47	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	CAPN2	58	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCOC(C2CC2)(C2CC2)C1	ZINC000852227914	GG	On-Demand	Anodyne	SLC12A5	68	35
CCCCCCCCNC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852227917	CG	On-Demand	Mild	ASAH1	97	39
CCCCCCCCNC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852227917	CG	On-Demand	Mild	LASR	44	31
CCCCCCCCNC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852227919	CG	On-Demand	Mild	ASAH1	97	39
CCCCCCCCNC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852227919	CG	On-Demand	Mild	LASR	44	31
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C(C)C)C2)cc1	ZINC000852227920	FD	On-Demand	Clean	BMP1	18	46
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C(C)C)C2)cc1	ZINC000852227920	FD	On-Demand	Clean	MTNR1A	31	46
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C(C)C)C2)cc1	ZINC000852227920	FD	On-Demand	Clean	MTNR1B	23	46
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)C(C)C)C2)cc1	ZINC000852227920	FD	On-Demand	Clean	MCHR1	17	51
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCCc1ccco1	ZINC000852227960	EG	On-Demand	Anodyne	PAPA1_CARPA	48	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCCc1ccco1	ZINC000852227960	EG	On-Demand	Anodyne	CAPNS1	57	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCCc1ccco1	ZINC000852227960	EG	On-Demand	Anodyne	CAPN1	60	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCCc1ccco1	ZINC000852227960	EG	On-Demand	Anodyne	CAPN2	99	43
C[C@H](CC(=O)OCc1ccccc1)NC(=O)NCCCc1ccco1	ZINC000852227960	EG	On-Demand	Anodyne	NPR	68	35
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	KLK3	91	43
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	CTSB	47	42
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	PAPA1_CARPA	61	37
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	CTSK	30	41
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	CTSL	31	40
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	CAPNS1	61	34
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	CAPN1	79	44
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	CASP1	23	40
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	CAPN2	96	41
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	NPR	72	35
C=C[C@H](CO)NC(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228001	DD	On-Demand	Mild	Q6PRC7_IXORI	40	32
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	KLK3	91	43
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	CTSB	47	42
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	PAPA1_CARPA	61	37
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	CTSK	30	41
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	CTSL	31	40
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	CAPNS1	61	34
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	CAPN1	79	44
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	CASP1	23	40
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	CAPN2	96	41
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	NPR	72	35
C=C[C@H](CO)NC(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228002	DD	On-Demand	Mild	Q6PRC7_IXORI	40	32
C#C[C@@H](NC(=O)NCC1(CC)CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852228003	GG	On-Demand	Mild	SIGMAR1	43	39
C#C[C@@H](NC(=O)NCC1(CC)CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852228003	GG	On-Demand	Mild	NPFFR2	37	43
C#C[C@@H](NC(=O)NCC1(CC)CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852228003	GG	On-Demand	Mild	NPFFR1	46	43
C#C[C@H](NC(=O)NCC1(CC)CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852228004	GG	On-Demand	Mild	SIGMAR1	43	39
C#C[C@H](NC(=O)NCC1(CC)CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852228004	GG	On-Demand	Mild	NPFFR2	37	43
C#C[C@H](NC(=O)NCC1(CC)CCN(Cc2ccccc2)CC1)C1CCOCC1	ZINC000852228004	GG	On-Demand	Mild	NPFFR1	46	43
CCCCCCCCNC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852228005	EF	On-Demand	Mild	ASAH1	98	39
CCCCCCCCNC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852228006	EF	On-Demand	Mild	ASAH1	98	39
CCCCCCCCNC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852228009	EH	On-Demand	Mild	LPAR2	43	31
CCCCCCCCNC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852228009	EH	On-Demand	Mild	S1PR2	60	31
CCCCCCCCNC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852228009	EH	On-Demand	Mild	EPHX2	17	44
CCCCCCCCNC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852228009	EH	On-Demand	Mild	ASAH1	89	39
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCN(Cc2ccccc2)CC1	ZINC000852228010	GD	On-Demand	Reactive	NPFFR2	41	48
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCN(Cc2ccccc2)CC1	ZINC000852228010	GD	On-Demand	Reactive	NPFFR1	53	48
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCN(Cc2ccccc2)CC1	ZINC000852228010	GD	On-Demand	Reactive	HCN1	67	35
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCN(Cc2ccccc2)CC1	ZINC000852228010	GD	On-Demand	Reactive	HCN4	49	33
CCCCCCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852228011	DF	On-Demand	Mild	ASAH1	109	43
CCCCCCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852228012	DF	On-Demand	Mild	ASAH1	109	43
CCCCCCCCNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852228013	DF	On-Demand	Mild	ASAH1	109	43
CCCCCCCCNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852228014	DF	On-Demand	Mild	ASAH1	109	43
CCCCCCCCNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852228025	EG	On-Demand	Mild	HLA-DRB3	44	31
CCCCCCCCNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852228025	EG	On-Demand	Mild	TPP2	32	46
CCCCCCCCNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852228025	EG	On-Demand	Mild	ASAH1	99	38
CCCCCCCCNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852228025	EG	On-Demand	Mild	NOD1	57	34
CCCCCCCCNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852228026	EG	On-Demand	Mild	HLA-DRB3	44	31
CCCCCCCCNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852228026	EG	On-Demand	Mild	TPP2	32	46
CCCCCCCCNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852228026	EG	On-Demand	Mild	ASAH1	99	38
CCCCCCCCNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852228026	EG	On-Demand	Mild	NOD1	57	34
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	ACE	37	41
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	GHRHR	48	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	ELANE	23	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CTRA_BOVIN	58	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	KLK3	58	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CTSB	42	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CYSP_TRYCR	47	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CTSK	36	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CTSL	40	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	PREP	26	40
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CAPNS1	75	32
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CELA2A	46	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	LGMN	47	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CAPN1	72	39
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	CAPN2	88	35
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	NPR	63	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	PSMB5	41	37
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	Q6PRC7_IXORI	46	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852228032	GD	On-Demand	Anodyne	TMPRSS11D	50	35
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	KLK3	64	34
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	CTSB	48	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	CYSP_TRYCR	43	35
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	CTSK	34	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	CAPNS1	62	36
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	CAPN1	81	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	CAPN2	120	36
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	KLK5	40	39
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H](C)CC(=O)OCc1ccccc1	ZINC000852228034	EG	On-Demand	Mild	NPR	72	33
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	KLK3	64	34
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	CTSB	48	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	CYSP_TRYCR	43	35
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	CTSK	34	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	CAPNS1	62	36
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	CAPN1	81	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	CAPN2	120	36
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	KLK5	40	39
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H](C)CC(=O)OCc1ccccc1	ZINC000852228035	EG	On-Demand	Mild	NPR	72	33
CCCCCCCCNC(=O)N1CCC(c2ccon2)CC1	ZINC000852228038	DH	On-Demand	Mild	EPHX2	15	44
CCCCCCCCNC(=O)N1CCC(c2ccon2)CC1	ZINC000852228038	DH	On-Demand	Mild	ASAH1	99	40
CCCCCCCCNC(=O)N(C)Cc1nnc(C)o1	ZINC000852228039	CF	On-Demand	Mild	ASAH1	82	34
CCCCCCCCNC(=O)NCCc1cncc(C)n1	ZINC000852228040	CF	On-Demand	Mild	ASAH1	78	36
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1	ZINC000852228049	GF	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1	ZINC000852228049	GF	On-Demand	Anodyne	CAPN2	53	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1	ZINC000852228050	GF	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1	ZINC000852228050	GF	On-Demand	Anodyne	CAPN2	53	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1	ZINC000852228051	GF	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1	ZINC000852228051	GF	On-Demand	Anodyne	CAPN2	53	33
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1	ZINC000852228052	GF	On-Demand	Anodyne	CAPNS1	41	30
C[C@H](CC(=O)OCc1ccccc1)NC(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1	ZINC000852228052	GF	On-Demand	Anodyne	CAPN2	53	33
CCCCCCCCNC(=O)N1CCn2c(nnc2C(C)(C)C)C1	ZINC000852228059	EG	On-Demand	Mild	ASAH1	92	35
C#C[C@H](NC(=O)NCCCCCCCC)C1CCOCC1	ZINC000852228065	CG	On-Demand	Mild	EPHX2	18	43
C#C[C@@H](NC(=O)NCCCCCCCC)C1CCOCC1	ZINC000852228066	CG	On-Demand	Mild	EPHX2	18	43
CCCCCCCCNC(=O)N(C)Cc1nnc(C)s1	ZINC000852228067	CG	On-Demand	Mild	ASAH1	61	33
C#CC[C@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccccc1	ZINC000852228081	CE	On-Demand	Mild	TAAR1	23	41
C#CC[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccccc1	ZINC000852228082	CE	On-Demand	Mild	TAAR1	23	41
C#CC[C@@H](NC(=O)NC[C@](C)(COCc1ccccc1)OC)c1ccccc1	ZINC000852228104	GH	On-Demand	Mild	PAPA1_CARPA	44	37
C#CC[C@@H](NC(=O)NC[C@@](C)(COCc1ccccc1)OC)c1ccccc1	ZINC000852228106	GH	On-Demand	Mild	PAPA1_CARPA	44	37
C#CC[C@H](NC(=O)NC[C@@](C)(COCc1ccccc1)OC)c1ccccc1	ZINC000852228108	GH	On-Demand	Mild	PAPA1_CARPA	44	37
C#CC[C@H](NC(=O)NC[C@](C)(COCc1ccccc1)OC)c1ccccc1	ZINC000852228109	GH	On-Demand	Mild	PAPA1_CARPA	44	37
COc1ccc(N2CC[C@H](NC(=O)NCC3CCS(=O)(=O)CC3)C2)cc1	ZINC000852228118	GD	On-Demand	Clean	MTNR1A	15	46
C#CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228128	GG	On-Demand	Mild	DRD4	19	41
C#CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228128	GG	On-Demand	Mild	ACHE	42	48
C#CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228128	GG	On-Demand	Mild	SLC6A3	15	43
C#CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228128	GG	On-Demand	Mild	HTR4	39	43
C#CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228128	GG	On-Demand	Mild	SIGMAR1	31	40
C#CC[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228128	GG	On-Demand	Mild	CACNA1I	44	37
C#CC[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228130	GG	On-Demand	Mild	DRD4	19	41
C#CC[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228130	GG	On-Demand	Mild	ACHE	42	48
C#CC[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228130	GG	On-Demand	Mild	SLC6A3	15	43
C#CC[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228130	GG	On-Demand	Mild	HTR4	39	43
C#CC[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228130	GG	On-Demand	Mild	SIGMAR1	31	40
C#CC[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852228130	GG	On-Demand	Mild	CACNA1I	44	37
CC[C@@H](NC(=O)NC[C@@H](O)c1ccccc1OC)[C@@H]1CCCO1	ZINC000852228204	DD	On-Demand	Anodyne	MBTPS1	43	31
CC[C@@H](NC(=O)NC[C@@H](O)c1ccccc1OC)[C@@H]1CCCO1	ZINC000852228204	DD	On-Demand	Anodyne	HCN1	40	31
CC[C@@H](NC(=O)NC[C@@H](O)c1ccccc1OC)[C@@H]1CCCO1	ZINC000852228204	DD	On-Demand	Anodyne	HCN4	40	31
CC[C@@H](NC(=O)NC[C@@H](O)c1ccccc1OC)[C@H]1CCCO1	ZINC000852228205	DD	On-Demand	Anodyne	MBTPS1	43	31
CC[C@@H](NC(=O)NC[C@@H](O)c1ccccc1OC)[C@H]1CCCO1	ZINC000852228205	DD	On-Demand	Anodyne	HCN1	40	31
CC[C@@H](NC(=O)NC[C@@H](O)c1ccccc1OC)[C@H]1CCCO1	ZINC000852228205	DD	On-Demand	Anodyne	HCN4	40	31
C#CC[C@@H](NC(=O)N[C@@H]1C[C@@H](OCC)C1)c1ccccc1	ZINC000852228324	CF	On-Demand	Mild	TIMP3	72	37
C#CC[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)C1)c1ccccc1	ZINC000852228325	CF	On-Demand	Mild	TIMP3	72	37
C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C1CCC1	ZINC000852228384	DG	On-Demand	Anodyne	SOAT1	23	41
C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C1CCC1	ZINC000852228385	DG	On-Demand	Anodyne	SOAT1	23	41
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C1CCC1	ZINC000852228387	DG	On-Demand	Anodyne	SOAT1	23	41
C#CC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228462	GJ	On-Demand	Mild	PAPA1_CARPA	34	42
C#CC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228462	GJ	On-Demand	Mild	CCKAR	19	41
C#CC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228462	GJ	On-Demand	Mild	SOAT1	16	43
C#CC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228462	GJ	On-Demand	Mild	FPR1	50	35
C#CC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228462	GJ	On-Demand	Mild	PDS	49	33
C#CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228463	GJ	On-Demand	Mild	PAPA1_CARPA	34	42
C#CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228463	GJ	On-Demand	Mild	CCKAR	19	41
C#CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228463	GJ	On-Demand	Mild	SOAT1	16	43
C#CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228463	GJ	On-Demand	Mild	FPR1	50	35
C#CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852228463	GJ	On-Demand	Mild	PDS	49	33
C#CC[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852228483	EG	On-Demand	Mild	SCN2A	18	42
C#CC[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852228483	EG	On-Demand	Mild	SCN10A	33	42
C#CC[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852228484	EG	On-Demand	Mild	SCN2A	18	42
C#CC[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852228484	EG	On-Demand	Mild	SCN10A	33	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H](C)C2CCC2)O1	ZINC000852228516	FD	On-Demand	Reactive	SIGMAR1	25	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H](C)C2CCC2)O1	ZINC000852228516	FD	On-Demand	Reactive	BIRC2	32	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H](C)C2CCC2)O1	ZINC000852228517	FD	On-Demand	Reactive	SIGMAR1	25	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H](C)C2CCC2)O1	ZINC000852228517	FD	On-Demand	Reactive	BIRC2	32	42
C[C@@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C1CCC1	ZINC000852228528	GG	On-Demand	Anodyne	EPHX2	27	43
C[C@@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C1CCC1	ZINC000852228528	GG	On-Demand	Anodyne	RBP4	43	36
C#CC[C@H](NC(=O)NCc1c(OC)cccc1OC)c1ccccc1	ZINC000852228547	EG	On-Demand	Mild	SOAT1	25	42
C#CC[C@@H](NC(=O)NCc1c(OC)cccc1OC)c1ccccc1	ZINC000852228548	EG	On-Demand	Mild	SOAT1	25	42
COc1ccc(N2CC[C@H](NC(=O)NCCSCC(C)C)C2)cc1	ZINC000852228570	FF	On-Demand	Clean	MTNR1A	15	44
C#CC[C@@H](NC(=O)N1CCN(c2ccc(OCC)nn2)CC1)c1ccccc1	ZINC000852228741	GE	On-Demand	Mild	PTAFR	17	42
C#CC[C@H](NC(=O)N1CCN(c2ccc(OCC)nn2)CC1)c1ccccc1	ZINC000852228742	GE	On-Demand	Mild	PTAFR	17	42
C#CC[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852228770	EE	On-Demand	Mild	CCR5	50	39
C#CC[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852228771	EE	On-Demand	Mild	CCR5	50	39
C#CC[C@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852228772	EE	On-Demand	Mild	CCR5	50	39
C#CC[C@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852228773	EE	On-Demand	Mild	CCR5	50	39
C#CC[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852228806	EH	On-Demand	Mild	MTNR1A	18	44
C#CC[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852228806	EH	On-Demand	Mild	MTNR1B	31	44
C#CC[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852228807	EH	On-Demand	Mild	MTNR1A	18	44
C#CC[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852228807	EH	On-Demand	Mild	MTNR1B	31	44
Cc1ccccc1C=NOCc1ccccc1[N+](=O)[O-]	ZINC000852228818	CG	On-Demand	Mild	COLA	68	34
C#CC[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852228823	EG	On-Demand	Mild	SIGMAR1	15	41
C#CC[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852228823	EG	On-Demand	Mild	CACNA1I	52	33
C#CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852228824	EG	On-Demand	Mild	SIGMAR1	15	41
C#CC[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852228824	EG	On-Demand	Mild	CACNA1I	52	33
C#CC[C@@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)c1ccccc1	ZINC000852228875	EH	On-Demand	Mild	CCR5	54	42
C#CC[C@@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)c1ccccc1	ZINC000852228876	EH	On-Demand	Mild	CCR5	54	42
C#CC[C@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)c1ccccc1	ZINC000852228877	EH	On-Demand	Mild	CCR5	54	42
C#CC[C@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)c1ccccc1	ZINC000852228878	EH	On-Demand	Mild	CCR5	54	42
CN1CC[C@H](NC(=O)N2CCC(N3CCOC3=O)CC2)[C@@H]1c1ccccc1	ZINC000852228893	FE	On-Demand	Anodyne	EPHX2	23	41
CN1CC[C@H](NC(=O)N2CCC(N3CCOC3=O)CC2)[C@H]1c1ccccc1	ZINC000852228894	FE	On-Demand	Anodyne	EPHX2	23	41
COC(=O)N(C)CCNC(=O)NCCCc1cc(OC)ccc1OC	ZINC000852228918	FD	On-Demand	Anodyne	MTNR1A	76	57
COC(=O)N(C)CCNC(=O)NCCCc1cc(OC)ccc1OC	ZINC000852228918	FD	On-Demand	Anodyne	MTNR1B	62	65
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852228934	ED	On-Demand	Anodyne	G2YM83_BOTF4	65	33
C#CC[C@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228948	EF	On-Demand	Mild	SSTR2	42	40
C#CC[C@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228948	EF	On-Demand	Mild	CCR5	29	43
C#CC[C@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228948	EF	On-Demand	Mild	BIRC8	44	32
C#CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228949	EF	On-Demand	Mild	SSTR2	42	40
C#CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228949	EF	On-Demand	Mild	CCR5	29	43
C#CC[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228949	EF	On-Demand	Mild	BIRC8	44	32
C#CC[C@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228950	EF	On-Demand	Mild	SSTR2	42	40
C#CC[C@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228950	EF	On-Demand	Mild	CCR5	29	43
C#CC[C@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228950	EF	On-Demand	Mild	BIRC8	44	32
C#CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228951	EF	On-Demand	Mild	SSTR2	42	40
C#CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228951	EF	On-Demand	Mild	CCR5	29	43
C#CC[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852228951	EF	On-Demand	Mild	BIRC8	44	32
C#CC[C@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1	ZINC000852229005	CF	On-Demand	Mild	PTAFR	24	42
C#CC[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccccc1	ZINC000852229006	CF	On-Demand	Mild	PTAFR	24	42
C#CC[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1	ZINC000852229007	CF	On-Demand	Mild	PTAFR	24	42
C#CC[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1	ZINC000852229008	CF	On-Demand	Mild	PTAFR	24	42
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852229035	GD	On-Demand	Anodyne	MTOR	69	38
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852229035	GD	On-Demand	Anodyne	STAT6	47	32
Cn1cc(-c2ccccc2CNC(=O)N2CCC(N3CCOC3=O)CC2)cn1	ZINC000852229036	GE	On-Demand	Anodyne	MAP3K7	44	38
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCc1cc(=O)oc2cc(O)ccc12	ZINC000852229039	FE	On-Demand	Anodyne	HSD17B3	34	44
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc2ccccc2c1	ZINC000852229066	FF	On-Demand	Anodyne	IMDH_CRYPV	38	42
C#CC[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852229069	FJ	On-Demand	Mild	CHRM1	15	40
C#CC[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852229069	FJ	On-Demand	Mild	KCNH2	40	38
C#CC[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852229070	FJ	On-Demand	Mild	CHRM1	15	40
C#CC[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852229070	FJ	On-Demand	Mild	KCNH2	40	38
Cc1ccccc1C=NOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852229086	JG	On-Demand	Mild	TRY2_BOVIN	62	41
Cc1ccccc1C=NOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852229086	JG	On-Demand	Mild	PKM	21	42
Cc1ccccc1C=NOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852229086	JG	On-Demand	Mild	TGM2	58	40
Cc1ccccc1C=NOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852229086	JG	On-Demand	Mild	F13A1	70	43
Cc1ccccc1C=NOCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000852229086	JG	On-Demand	Mild	AKR1C3	18	41
C#CC[C@H](NC(=O)N1CC[C@H]2COC[C@H]2C1)c1ccccc1	ZINC000852229093	CE	On-Demand	Mild	CCR5	24	42
C#CC[C@H](NC(=O)N1CC[C@@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852229094	CE	On-Demand	Mild	CCR5	24	42
C#CC[C@H](NC(=O)N1CC[C@H]2COC[C@@H]2C1)c1ccccc1	ZINC000852229095	CE	On-Demand	Mild	CCR5	24	42
C#CC[C@H](NC(=O)N1CC[C@@H]2COC[C@H]2C1)c1ccccc1	ZINC000852229096	CE	On-Demand	Mild	CCR5	24	42
C#C[C@@H](NC(=O)NCCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852229136	FE	On-Demand	Mild	MTNR1A	53	47
C#C[C@@H](NC(=O)NCCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852229136	FE	On-Demand	Mild	MTNR1B	43	53
C#C[C@H](NC(=O)NCCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852229137	FE	On-Demand	Mild	MTNR1A	53	47
C#C[C@H](NC(=O)NCCCc1cc(OC)ccc1OC)C1CCOCC1	ZINC000852229137	FE	On-Demand	Mild	MTNR1B	43	53
C#CC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852229172	EE	On-Demand	Mild	CCR5	22	43
C#CC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852229173	EE	On-Demand	Mild	CCR5	22	43
C#CC[C@@H](NC(=O)NCc1cccc(OC)c1C)c1ccccc1	ZINC000852229207	DH	On-Demand	Mild	SOAT1	17	44
C#CC[C@H](NC(=O)NCc1cccc(OC)c1C)c1ccccc1	ZINC000852229208	DH	On-Demand	Mild	SOAT1	17	44
C#CC[C@H](NC(=O)N[C@@H](C)CN1CCC(C)CC1)c1ccccc1	ZINC000852229270	EG	On-Demand	Mild	PLD1	44	37
C#CC[C@@H](NC(=O)N[C@H](C)CN1CCC(C)CC1)c1ccccc1	ZINC000852229271	EG	On-Demand	Mild	PLD1	44	37
C#CC[C@H](NC(=O)N[C@H](C)CN1CCC(C)CC1)c1ccccc1	ZINC000852229272	EG	On-Demand	Mild	PLD1	44	37
C#CC[C@@H](NC(=O)N[C@@H](C)CN1CCC(C)CC1)c1ccccc1	ZINC000852229273	EG	On-Demand	Mild	PLD1	44	37
C#CC[C@@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852229276	CF	On-Demand	Mild	CCR5	50	42
C#CC[C@@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852229276	CF	On-Demand	Mild	BIRC2	40	41
C#CC[C@@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852229277	CF	On-Demand	Mild	CCR5	50	42
C#CC[C@@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852229277	CF	On-Demand	Mild	BIRC2	40	41
C#CC[C@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852229278	CF	On-Demand	Mild	CCR5	50	42
C#CC[C@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852229278	CF	On-Demand	Mild	BIRC2	40	41
C#CC[C@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852229279	CF	On-Demand	Mild	CCR5	50	42
C#CC[C@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852229279	CF	On-Demand	Mild	BIRC2	40	41
C#CC[C@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852229280	ED	On-Demand	Mild	WNT3	40	30
C#CC[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852229281	ED	On-Demand	Mild	WNT3	40	30
COc1ccc2c(CN[C@@H]3CCO[C@H]3c3cn(C)nc3C)cc(=O)oc2c1	ZINC000852229320	FE	On-Demand	Anodyne	CYP11B1	16	40
COc1ccc2c(CN[C@@H]3CCO[C@H]3c3cn(C)nc3C)cc(=O)oc2c1	ZINC000852229320	FE	On-Demand	Anodyne	MAOA	48	34
COc1ccc2c(CN[C@@H]3CCO[C@H]3c3cn(C)nc3C)cc(=O)oc2c1	ZINC000852229320	FE	On-Demand	Anodyne	MAOB	26	41
C#CC[C@H](NC(=O)N[C@H](CC)C1CC1)c1ccccc1	ZINC000852229329	CG	On-Demand	Mild	TACR3	45	34
C#CC[C@H](NC(=O)N[C@@H](CC)C1CC1)c1ccccc1	ZINC000852229330	CG	On-Demand	Mild	TACR3	45	34
C#CC[C@@H](NC(=O)N[C@H](CC)C1CC1)c1ccccc1	ZINC000852229331	CG	On-Demand	Mild	TACR3	45	34
C#CC[C@@H](NC(=O)N[C@@H](CC)C1CC1)c1ccccc1	ZINC000852229332	CG	On-Demand	Mild	TACR3	45	34
C#CC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852229350	EE	On-Demand	Mild	CCR5	15	42
C#CC[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852229351	EE	On-Demand	Mild	CCR5	15	42
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852229435	GF	On-Demand	Anodyne	MAOA	60	43
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852229435	GF	On-Demand	Anodyne	ACHE	15	43
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852229435	GF	On-Demand	Anodyne	MAOB	42	45
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852229435	GF	On-Demand	Anodyne	BCHE	18	43
Cn1cc(-c2ccccc2CNC(=O)N2CC[C@H](N3CCOC3=O)C2)cn1	ZINC000852229439	FD	On-Demand	Anodyne	MAP3K7	41	36
Cn1cc(-c2ccccc2CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)cn1	ZINC000852229440	FD	On-Demand	Anodyne	MAP3K7	41	36
C#CC[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852229445	FI	On-Demand	Mild	SCD1	16	45
C#CC[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852229445	FI	On-Demand	Mild	SCD	31	45
C#CC[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852229445	FI	On-Demand	Mild	TRPM8	19	49
C#CC[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852229446	FI	On-Demand	Mild	SCD1	16	45
C#CC[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852229446	FI	On-Demand	Mild	SCD	31	45
C#CC[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852229446	FI	On-Demand	Mild	TRPM8	19	49
CCOC(=O)N1CCN(C(=O)CN[C@@H]2CCO[C@H]2c2cn(C)nc2C)CC1	ZINC000852229507	GC	On-Demand	Anodyne	P2RY12	46	39
C#CC[C@H](NC(=O)N1CCc2nccnc2C1)c1ccccc1	ZINC000852229509	DE	On-Demand	Mild	PTAFR	27	42
C#CC[C@H](NC(=O)N1CCc2nccnc2C1)c1ccccc1	ZINC000852229509	DE	On-Demand	Mild	MAPK1	46	35
C#CC[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccccc1	ZINC000852229510	DE	On-Demand	Mild	PTAFR	27	42
C#CC[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccccc1	ZINC000852229510	DE	On-Demand	Mild	MAPK1	46	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)C2)cc1	ZINC000852229519	GG	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)C2)cc1	ZINC000852229519	GG	On-Demand	Clean	PARE	40	31
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C)[C@H]3c3ccccc3)C2)cc1	ZINC000852229520	GG	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C)[C@H]3c3ccccc3)C2)cc1	ZINC000852229520	GG	On-Demand	Clean	PARE	40	31
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)C2)cc1	ZINC000852229521	GG	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)C2)cc1	ZINC000852229521	GG	On-Demand	Clean	PARE	40	31
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C)[C@@H]3c3ccccc3)C2)cc1	ZINC000852229522	GG	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C)[C@@H]3c3ccccc3)C2)cc1	ZINC000852229522	GG	On-Demand	Clean	PARE	40	31
C#CC[C@H](NC(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1	ZINC000852229526	CF	On-Demand	Mild	CCR5	26	41
C#CC[C@H](NC(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1	ZINC000852229526	CF	On-Demand	Mild	RBP4	58	41
C#CC[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1	ZINC000852229527	CF	On-Demand	Mild	CCR5	26	41
C#CC[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1	ZINC000852229527	CF	On-Demand	Mild	RBP4	58	41
C#CC[C@H](NC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1	ZINC000852229528	CF	On-Demand	Mild	CCR5	26	41
C#CC[C@H](NC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1	ZINC000852229528	CF	On-Demand	Mild	RBP4	58	41
C#CC[C@H](NC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1	ZINC000852229529	CF	On-Demand	Mild	CCR5	26	41
C#CC[C@H](NC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1	ZINC000852229529	CF	On-Demand	Mild	RBP4	58	41
C#CC[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccccc1	ZINC000852229571	ED	On-Demand	Mild	PTAFR	18	41
C#CC[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccccc1	ZINC000852229572	ED	On-Demand	Mild	PTAFR	18	41
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC[C@H](O)c1cccc(Cl)c1	ZINC000852229610	EF	On-Demand	Anodyne	IGF1R	29	41
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC[C@H](O)c1cccc(Cl)c1	ZINC000852229610	EF	On-Demand	Anodyne	CYP3A4	50	38
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC[C@@H](O)c1cccc(Cl)c1	ZINC000852229611	EF	On-Demand	Anodyne	IGF1R	29	41
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC[C@@H](O)c1cccc(Cl)c1	ZINC000852229611	EF	On-Demand	Anodyne	CYP3A4	50	38
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852229615	FF	On-Demand	Anodyne	L3MBTL3	63	35
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(SC(F)F)cc1	ZINC000852229617	GG	On-Demand	Anodyne	AURKC	41	37
O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1SCCS1	ZINC000852229677	EE	On-Demand	Bother	CACNA1C	44	35
O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1SCCS1	ZINC000852229677	EE	On-Demand	Bother	CACNA1D	74	35
O=C(NCCc1cccc([N+](=O)[O-])c1)NCC1SCCS1	ZINC000852229677	EE	On-Demand	Bother	LUXR	16	43
Cc1cncc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1	ZINC000852229678	GD	On-Demand	Clean	NAMPT	27	48
O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(N2CCOC2=O)CC1	ZINC000852229686	FD	On-Demand	Bother	LUXR	30	48
Cc1cncc(CNC(=O)NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)c1	ZINC000852229702	FD	On-Demand	Reactive	NAMPT	15	41
O=C(NCCc1cccc([N+](=O)[O-])c1)NCCC1SCCS1	ZINC000852229708	EF	On-Demand	Bother	CACNA1C	44	35
O=C(NCCc1cccc([N+](=O)[O-])c1)NCCC1SCCS1	ZINC000852229708	EF	On-Demand	Bother	CACNA1D	74	35
O=C(NCCc1cccc([N+](=O)[O-])c1)NCCC1SCCS1	ZINC000852229708	EF	On-Demand	Bother	LUXR	16	43
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852229718	FF	On-Demand	Anodyne	LUCI_PHOPY	61	43
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852229719	FF	On-Demand	Anodyne	LUCI_PHOPY	61	43
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(CCC2)C1	ZINC000852229724	DE	On-Demand	Bother	CACNA1D	65	36
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(CCC2)C1	ZINC000852229724	DE	On-Demand	Bother	LUXR	16	43
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(CCC2)C1	ZINC000852229725	DE	On-Demand	Bother	CACNA1D	65	36
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(CCC2)C1	ZINC000852229725	DE	On-Demand	Bother	LUXR	16	43
Cc1cncc(CNC(=O)NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1	ZINC000852229748	FD	On-Demand	Reactive	NAMPT	20	42
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852229761	FD	On-Demand	Anodyne	CA2	40	39
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852229761	FD	On-Demand	Anodyne	CA1	42	39
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852229769	GF	On-Demand	Clean	DRD4	43	35
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852229769	GF	On-Demand	Clean	CACNA1C	36	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852229769	GF	On-Demand	Clean	CACNA1D	55	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852229769	GF	On-Demand	Clean	MTNR1A	46	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852229769	GF	On-Demand	Clean	MTNR1B	37	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852229769	GF	On-Demand	Clean	MCHR1	15	45
C[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccc[nH]1	ZINC000852229775	DF	On-Demand	Anodyne	SIGMAR1	19	40
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccc[nH]1	ZINC000852229776	DF	On-Demand	Anodyne	SIGMAR1	19	40
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccc[nH]1	ZINC000852229777	DF	On-Demand	Anodyne	SIGMAR1	19	40
C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccc[nH]1	ZINC000852229778	DF	On-Demand	Anodyne	SIGMAR1	19	40
Cc1cncc(CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852229792	BD	On-Demand	Anodyne	NAMPT	22	47
Cc1cncc(CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852229793	BD	On-Demand	Anodyne	NAMPT	22	47
O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852229803	GF	On-Demand	Bother	CACNA1C	42	33
O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852229803	GF	On-Demand	Bother	CACNA1D	66	33
Cc1cncc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1	ZINC000852229832	FE	On-Demand	Clean	NAMPT	48	48
Cc1cncc(CNC(=O)N2CCN(c3ccc(C)cc3C)CC2)c1	ZINC000852229851	EG	On-Demand	Anodyne	NAMPT	20	41
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCc2cccc([N+](=O)[O-])c2)O1	ZINC000852229862	FC	On-Demand	Reactive	CACNA1D	58	34
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCc2cccc([N+](=O)[O-])c2)O1	ZINC000852229864	FC	On-Demand	Reactive	CACNA1D	58	34
Cc1cncc(CNC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852229904	GG	On-Demand	Anodyne	NAMPT	33	44
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc[nH]1	ZINC000852229940	DE	On-Demand	Anodyne	CCR3	64	34
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc[nH]1	ZINC000852229941	DE	On-Demand	Anodyne	CCR3	64	34
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc[nH]1	ZINC000852229942	DE	On-Demand	Anodyne	CCR3	64	34
O=C(NCc1cccc(CO)c1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852229944	GF	On-Demand	Anodyne	NAMPT	24	41
O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852229945	ED	On-Demand	Bother	LUXR	29	47
O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852229946	ED	On-Demand	Bother	LUXR	29	47
Cc1cncc(CNC(=O)NCc2ccc(N3CCCNC3=O)cc2)c1	ZINC000852229962	FE	On-Demand	Anodyne	NAMPT	33	43
O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852229986	FE	On-Demand	Bother	CACNA1D	51	32
O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852229986	FE	On-Demand	Bother	LUXR	21	45
COCCN(CCF)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000852230004	DD	On-Demand	Bother	CACNA1C	53	40
COCCN(CCF)C(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000852230004	DD	On-Demand	Bother	CACNA1D	84	40
O=C(NCc1cccc(CO)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852230005	DC	On-Demand	Anodyne	NPSR1	26	42
O=C(NCc1cccc(CO)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852230006	DC	On-Demand	Anodyne	NPSR1	26	42
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852230136	GF	On-Demand	Anodyne	GPR119	35	40
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852230137	GF	On-Demand	Anodyne	GPR119	35	40
C#C[C@H](NC(=O)NC[C@H](C)Cc1ccc(OC)cc1)C1CCOCC1	ZINC000852230171	EF	On-Demand	Mild	PSMB8	48	37
C#C[C@@H](NC(=O)NC[C@H](C)Cc1ccc(OC)cc1)C1CCOCC1	ZINC000852230172	EF	On-Demand	Mild	PSMB8	48	37
C#C[C@@H](NC(=O)NC[C@@H](C)Cc1ccc(OC)cc1)C1CCOCC1	ZINC000852230173	EF	On-Demand	Mild	PSMB8	48	37
C#C[C@H](NC(=O)NC[C@@H](C)Cc1ccc(OC)cc1)C1CCOCC1	ZINC000852230174	EF	On-Demand	Mild	PSMB8	48	37
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCC1	ZINC000852230175	CE	On-Demand	Bother	CACNA1C	42	38
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCC1	ZINC000852230175	CE	On-Demand	Bother	CACNA1D	70	38
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCC1	ZINC000852230175	CE	On-Demand	Bother	LUXR	22	47
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C=CCC1	ZINC000852230176	CE	On-Demand	Bother	CACNA1C	42	38
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C=CCC1	ZINC000852230176	CE	On-Demand	Bother	CACNA1D	70	38
O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1C=CCC1	ZINC000852230176	CE	On-Demand	Bother	LUXR	22	47
C#C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852230186	ED	On-Demand	Mild	LUXR	20	43
C#C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852230187	ED	On-Demand	Mild	LUXR	20	43
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CO)c3)C2)cc1	ZINC000852230231	FE	On-Demand	Clean	SIGMAR1	20	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CO)c3)C2)cc1	ZINC000852230231	FE	On-Demand	Clean	MTNR1A	29	51
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CO)c3)C2)cc1	ZINC000852230231	FE	On-Demand	Clean	MTNR1B	26	51
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CO)c3)C2)cc1	ZINC000852230231	FE	On-Demand	Clean	MCHR1	22	49
Cc1cncc(CNC(=O)NNC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H](C)O2)c1	ZINC000852230233	GD	On-Demand	Reactive	NAMPT	24	45
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000852230241	GD	On-Demand	Reactive	CACNA1D	55	36
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC[C@@H](O)c1cccnc1	ZINC000852230273	DD	On-Demand	Anodyne	ADRB3	45	39
Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC[C@H](O)c1cccnc1	ZINC000852230274	DD	On-Demand	Anodyne	ADRB3	45	39
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc[nH]1	ZINC000852230309	DE	On-Demand	Anodyne	HTR4	51	42
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc[nH]1	ZINC000852230309	DE	On-Demand	Anodyne	CACNA1I	68	38
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc[nH]1	ZINC000852230310	DE	On-Demand	Anodyne	HTR4	51	42
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc[nH]1	ZINC000852230310	DE	On-Demand	Anodyne	CACNA1I	68	38
O=C1CCC2=C(CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C2)N1	ZINC000852230332	ED	On-Demand	Bother	CACNA1D	46	32
Cc1cncc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)c1	ZINC000852230336	FH	On-Demand	Anodyne	ROCK2	25	44
Cc1cncc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)c1	ZINC000852230336	FH	On-Demand	Anodyne	NAMPT	36	50
COc1ccc(N2CC[C@H](NC(=O)NCc3cncc(C)c3)C2)cc1	ZINC000852230352	EE	On-Demand	Clean	SSTR5	29	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cncc(C)c3)C2)cc1	ZINC000852230352	EE	On-Demand	Clean	MCHR1	17	46
COC(=O)N(C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000852230392	DD	On-Demand	Bother	CACNA1C	52	37
COC(=O)N(C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1	ZINC000852230392	DD	On-Demand	Bother	CACNA1D	81	37
O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852230394	GF	On-Demand	Clean	CACNA1C	51	36
O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852230394	GF	On-Demand	Clean	CACNA1D	78	35
O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852230394	GF	On-Demand	Clean	LUXR	16	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cccc(CO)c1	ZINC000852230485	FE	On-Demand	Clean	STAT6	23	40
Cc1cncc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000852230523	FG	On-Demand	Anodyne	ADRB2	24	40
Cc1cncc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000852230523	FG	On-Demand	Anodyne	NAMPT	15	44
Cc1cncc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000852230524	FG	On-Demand	Anodyne	ADRB2	24	40
Cc1cncc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1	ZINC000852230524	FG	On-Demand	Anodyne	NAMPT	15	44
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852230538	GE	On-Demand	Anodyne	SIGMAR1	26	41
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852230538	GE	On-Demand	Anodyne	CACNA1I	66	36
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852230538	GE	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852230539	GE	On-Demand	Anodyne	SIGMAR1	26	41
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852230539	GE	On-Demand	Anodyne	CACNA1I	66	36
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852230539	GE	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852230549	GE	On-Demand	Anodyne	SCN2A	17	42
CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852230549	GE	On-Demand	Anodyne	SCN10A	26	42
CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852230549	GE	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CC(CNC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852230565	GE	On-Demand	Anodyne	CACNA1I	73	41
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCOc3ccc(O)cc3C2)C1	ZINC000852230607	GE	On-Demand	Anodyne	GPR119	23	42
CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cnc(C(F)(F)F)nc2)C1	ZINC000852230617	GE	On-Demand	Anodyne	CACNA1I	40	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852230623	FD	On-Demand	Anodyne	CACNA1I	45	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852230623	FD	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852230624	FD	On-Demand	Anodyne	CACNA1I	45	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852230624	FD	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852230625	FD	On-Demand	Anodyne	CACNA1I	45	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852230625	FD	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852230626	FD	On-Demand	Anodyne	CACNA1I	45	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852230626	FD	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC(CNC(=O)N(Cc2ccccc2F)CC2CC2)C1	ZINC000852230629	GH	On-Demand	Anodyne	GPR119	26	48
COC(=O)c1ccc(CNC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c(F)c1	ZINC000852230636	GE	On-Demand	Anodyne	CACNA1I	47	33
CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852230663	GF	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)C1	ZINC000852230678	GE	On-Demand	Anodyne	CACNA1I	50	34
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)C1	ZINC000852230679	GE	On-Demand	Anodyne	CACNA1I	50	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852230682	EF	On-Demand	Anodyne	CACNA1I	53	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852230683	EF	On-Demand	Anodyne	CACNA1I	53	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852230689	FG	On-Demand	Anodyne	CACNA1I	50	39
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852230689	FG	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852230690	FG	On-Demand	Anodyne	CACNA1I	50	39
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852230690	FG	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC(c3ccco3)CC2)C1	ZINC000852230693	FG	On-Demand	Anodyne	CACNA1I	41	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852230694	CD	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852230695	CD	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852230714	FE	On-Demand	Anodyne	SMO	29	42
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc[nH]1	ZINC000852230761	CD	On-Demand	Anodyne	MAPK1	52	41
CC#CCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852230776	FG	On-Demand	Mild	GPR119	32	45
CC#CCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852230778	FG	On-Demand	Mild	GPR119	32	45
CC(C)(C)OC(=O)N1CC(CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852230798	FE	On-Demand	Reactive	CACNA1I	58	35
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852230903	GE	On-Demand	Anodyne	CACNA1I	53	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852230903	GE	On-Demand	Anodyne	GPR119	21	43
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852230904	GE	On-Demand	Anodyne	CACNA1I	53	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852230904	GE	On-Demand	Anodyne	GPR119	21	43
C=C[C@H](CO)NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1	ZINC000852230998	DD	On-Demand	Mild	CTSK	17	43
C=C[C@H](CO)NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1	ZINC000852230999	DD	On-Demand	Mild	CTSK	17	43
Cc1cccc2c1CCC[C@H]2NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852231081	FH	On-Demand	Anodyne	CACNA1I	41	32
Cc1cccc2c1CCC[C@@H]2NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852231084	FH	On-Demand	Anodyne	CACNA1I	41	32
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1	ZINC000852231105	FE	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1	ZINC000852231107	FE	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2ncccn2)C1	ZINC000852231162	DD	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2ncccn2)C1	ZINC000852231162	DD	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)C1	ZINC000852231174	DD	On-Demand	Anodyne	CACNA1I	54	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)C1	ZINC000852231174	DD	On-Demand	Anodyne	GPR119	33	42
C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc[nH]1	ZINC000852231175	FH	On-Demand	Anodyne	CNR1	49	44
C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc[nH]1	ZINC000852231175	FH	On-Demand	Anodyne	MC4R	120	41
C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc[nH]1	ZINC000852231175	FH	On-Demand	Anodyne	NPY2R	45	36
C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc[nH]1	ZINC000852231175	FH	On-Demand	Anodyne	CXCR3	17	44
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3C[C@H]3C2)C1	ZINC000852231176	DD	On-Demand	Anodyne	CACNA1I	54	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3C[C@H]3C2)C1	ZINC000852231176	DD	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3C[C@@H]3C2)C1	ZINC000852231177	DD	On-Demand	Anodyne	CACNA1I	54	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3C[C@@H]3C2)C1	ZINC000852231177	DD	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3C[C@H]3C2)C1	ZINC000852231179	DD	On-Demand	Anodyne	CACNA1I	54	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3C[C@H]3C2)C1	ZINC000852231179	DD	On-Demand	Anodyne	GPR119	33	42
C[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)sc2C1)c1ccc[nH]1	ZINC000852231189	FH	On-Demand	Anodyne	P2RY14	40	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC[C@H](C3CCC3)C2)C1	ZINC000852231218	FG	On-Demand	Anodyne	CACNA1I	53	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC[C@@H](C3CCC3)C2)C1	ZINC000852231219	FG	On-Demand	Anodyne	CACNA1I	53	33
CC(C)(C)OC(=O)N1CC(CNC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852231221	GF	On-Demand	Anodyne	MTNR1A	18	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)N[C@@H]1CC[C@H]2SCCS[C@H]12	ZINC000852231223	GF	On-Demand	Anodyne	SIGMAR1	18	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)N[C@@H]1CC[C@@H]2SCCS[C@H]21	ZINC000852231224	GF	On-Demand	Anodyne	SIGMAR1	18	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)N[C@@H]1CC[C@H]2SCCS[C@@H]12	ZINC000852231225	GF	On-Demand	Anodyne	SIGMAR1	18	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	ZINC000852231226	GF	On-Demand	Anodyne	SIGMAR1	18	40
C[C@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc[nH]1	ZINC000852231340	EE	On-Demand	Anodyne	HTR4	40	39
C[C@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc[nH]1	ZINC000852231340	EE	On-Demand	Anodyne	CACNA1I	57	33
C[C@@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc[nH]1	ZINC000852231341	EE	On-Demand	Anodyne	HTR4	40	39
C[C@@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc[nH]1	ZINC000852231341	EE	On-Demand	Anodyne	CACNA1I	57	33
CN1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)[C@H]1c1ccc(Cl)cc1	ZINC000852231347	GG	On-Demand	Reactive	F10	40	43
CN1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)[C@@H]1c1ccc(Cl)cc1	ZINC000852231348	GG	On-Demand	Reactive	F10	40	43
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCc3nccnc3C2)C1	ZINC000852231400	ED	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCc3nccnc3C2)C1	ZINC000852231400	ED	On-Demand	Anodyne	GPR119	35	40
CC(C)(C)OC(=O)N1CC(CNC(=O)NCC(F)(F)c2ccc(F)cc2)C1	ZINC000852231416	GG	On-Demand	Anodyne	CACNA1I	47	37
C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc[nH]1	ZINC000852231426	EH	On-Demand	Anodyne	KCNH2	40	38
C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc[nH]1	ZINC000852231426	EH	On-Demand	Anodyne	GLRA1	47	45
C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc[nH]1	ZINC000852231428	EH	On-Demand	Anodyne	KCNH2	40	38
C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc[nH]1	ZINC000852231428	EH	On-Demand	Anodyne	GLRA1	47	45
CC#CCNC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852231461	GE	On-Demand	Mild	CCR5	47	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852231516	GG	On-Demand	Anodyne	CACNA1I	49	32
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852231516	GG	On-Demand	Anodyne	GPR119	17	44
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852231517	GG	On-Demand	Anodyne	CACNA1I	49	32
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852231517	GG	On-Demand	Anodyne	GPR119	17	44
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852231766	FD	On-Demand	Anodyne	CACNA1I	41	31
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852231766	FD	On-Demand	Anodyne	GPR119	27	40
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852231767	FD	On-Demand	Anodyne	CACNA1I	41	31
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852231767	FD	On-Demand	Anodyne	GPR119	27	40
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852231809	EE	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852231810	EE	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC(CNC(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1	ZINC000852231828	GD	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC(CNC(=O)NCCN2C[C@H]3CCCCN3C2=O)C1	ZINC000852231829	GD	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)C1	ZINC000852231838	ED	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)C1	ZINC000852231838	ED	On-Demand	Anodyne	GPR119	30	40
COc1ccc2c(CN[C@@H]3CCO[C@H]3c3cnn(C(C)C)c3)cc(=O)oc2c1	ZINC000852232058	GG	On-Demand	Anodyne	MAOB	20	41
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)C1	ZINC000852232063	ED	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)C1	ZINC000852232063	ED	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3COC[C@H]3C2)C1	ZINC000852232066	ED	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@H]3COC[C@H]3C2)C1	ZINC000852232066	ED	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)C1	ZINC000852232069	ED	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)C1	ZINC000852232069	ED	On-Demand	Anodyne	GPR119	30	40
C=CC[C@H]1CCCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232071	EF	On-Demand	Mild	CACNA1I	41	32
C=CC[C@@H]1CCCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232074	EF	On-Demand	Mild	CACNA1I	41	32
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc[nH]2)C1	ZINC000852232080	CD	On-Demand	Anodyne	TIMP3	58	34
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc[nH]2)C1	ZINC000852232081	CD	On-Demand	Anodyne	TIMP3	58	34
O=C(NCc1noc(C2CC2)n1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852232121	DC	On-Demand	Anodyne	ETHR	49	33
O=C(NCc1noc(C2CC2)n1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852232123	DC	On-Demand	Anodyne	ETHR	49	33
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)C1CC1	ZINC000852232158	GH	On-Demand	Anodyne	REN	40	37
CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)C1CC1	ZINC000852232158	GH	On-Demand	Anodyne	FPR1	44	36
Cn1ncc(C2CC2)c1CNC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852232257	FD	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC(CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852232299	FE	On-Demand	Mild	GPR119	26	45
CC#CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852232306	CD	On-Demand	Mild	MTNR1A	20	48
CC#CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852232306	CD	On-Demand	Mild	MTNR1B	16	48
CC#CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852232307	CD	On-Demand	Mild	MTNR1A	20	48
CC#CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852232307	CD	On-Demand	Mild	MTNR1B	16	48
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000852232392	FD	On-Demand	Anodyne	ADRA1D	26	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000852232392	FD	On-Demand	Anodyne	ADRA1A	48	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000852232392	FD	On-Demand	Anodyne	ADRA1B	29	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000852232393	FD	On-Demand	Anodyne	ADRA1D	26	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000852232393	FD	On-Demand	Anodyne	ADRA1A	48	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000852232393	FD	On-Demand	Anodyne	ADRA1B	29	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000852232394	FD	On-Demand	Anodyne	ADRA1D	26	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000852232394	FD	On-Demand	Anodyne	ADRA1A	48	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000852232394	FD	On-Demand	Anodyne	ADRA1B	29	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000852232395	FD	On-Demand	Anodyne	ADRA1D	26	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000852232395	FD	On-Demand	Anodyne	ADRA1A	48	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000852232395	FD	On-Demand	Anodyne	ADRA1B	29	40
CC(C)(C)OC(=O)N1CC(CNC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852232413	GG	On-Demand	Anodyne	CACNA1I	47	35
CC(C)(C)OC(=O)N1CC(CNC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852232413	GG	On-Demand	Anodyne	GPR119	18	46
CC(C)(C)OC(=O)N1CC(CNC(=O)NCC2=CCCC2)C1	ZINC000852232426	DE	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@H]2CCNC2=O)C1	ZINC000852232427	DC	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@@H]2CCNC2=O)C1	ZINC000852232428	DC	On-Demand	Anodyne	CACNA1I	40	32
CC#CCNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000852232469	GD	On-Demand	Mild	EPHX2	18	43
Cc1ccncc1CCNC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852232487	EE	On-Demand	Anodyne	GPR119	27	42
CC#CCNC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852232493	FG	On-Demand	Mild	GPR119	20	40
CC#CCNC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852232494	FG	On-Demand	Mild	GPR119	20	40
C[C@@H]1CCN(C(=O)NCc2noc(C3CC3)n2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852232517	GD	On-Demand	Anodyne	ETHR	61	35
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852232629	EE	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852232630	EE	On-Demand	Anodyne	CACNA1I	42	33
CC#CCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852232632	DE	On-Demand	Mild	CTSD	18	42
CC#CCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852232632	DE	On-Demand	Mild	PAPA1_CARPA	34	40
CC#CCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852232632	DE	On-Demand	Mild	CTSK	16	45
CC#CCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852232632	DE	On-Demand	Mild	PGA	19	42
CC#CCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852232632	DE	On-Demand	Mild	ECE1	26	40
CC#CCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852232632	DE	On-Demand	Mild	PGA5	32	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232633	GF	On-Demand	Anodyne	CACNA1I	50	33
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232633	GF	On-Demand	Anodyne	CCR8	19	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232633	GF	On-Demand	Anodyne	GPR119	36	43
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232633	GF	On-Demand	Anodyne	SFRP1	61	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232633	GF	On-Demand	Anodyne	WNT3	49	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232634	GF	On-Demand	Anodyne	CACNA1I	50	33
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232634	GF	On-Demand	Anodyne	CCR8	19	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232634	GF	On-Demand	Anodyne	GPR119	36	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232634	GF	On-Demand	Anodyne	SFRP1	61	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1	ZINC000852232634	GF	On-Demand	Anodyne	WNT3	49	35
CC(C)(C)OC(=O)N1CC(CNC(=O)NCCCC2CCC2)C1	ZINC000852232673	EF	On-Demand	Anodyne	GPR119	18	40
CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852232680	GG	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC(C3CCC3)CC2)C1	ZINC000852232681	FG	On-Demand	Anodyne	CACNA1I	45	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC(C3CCC3)CC2)C1	ZINC000852232681	FG	On-Demand	Anodyne	GPR119	29	43
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852232706	FE	On-Demand	Anodyne	CACNA1I	53	35
CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852232707	FE	On-Demand	Anodyne	CACNA1I	53	35
CC[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1)C1CC1	ZINC000852232770	EF	On-Demand	Anodyne	CTSK	17	42
CC[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1)C1CC1	ZINC000852232772	EF	On-Demand	Anodyne	CTSK	17	42
CN1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)[C@H]1c1ccc(F)c(F)c1	ZINC000852232793	GG	On-Demand	Reactive	F10	35	40
CN1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)[C@@H]1c1ccc(F)c(F)c1	ZINC000852232794	GG	On-Demand	Reactive	F10	35	40
CC(C)(C)OC(=O)N1CC(CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852232823	FD	On-Demand	Reactive	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC[C@H](CC#N)C2)C1	ZINC000852232837	EE	On-Demand	Mild	CACNA1I	41	32
CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC000852232838	EE	On-Demand	Mild	CACNA1I	41	32
CC#CCNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852232890	FE	On-Demand	Mild	EPHX2	23	41
COc1cccc(OC)c1CNC(=O)NCC1CN(C(=O)OC(C)(C)C)C1	ZINC000852232903	GE	On-Demand	Anodyne	CACNA1I	40	32
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CC[C@H]2SCCS[C@H]12	ZINC000852232959	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CC[C@H]2SCCS[C@H]12	ZINC000852232959	GF	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CC[C@H]2SCCS[C@@H]12	ZINC000852232961	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CC[C@H]2SCCS[C@@H]12	ZINC000852232961	GF	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	ZINC000852232962	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CC[C@@H]2SCCS[C@@H]21	ZINC000852232962	GF	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CC[C@@H]2SCCS[C@H]21	ZINC000852232964	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CC[C@@H]2SCCS[C@H]21	ZINC000852232964	GF	On-Demand	Anodyne	SCN10A	18	41
CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCC1CCN(CC2CC2)CC1)C1CC1	ZINC000852232972	GF	On-Demand	Anodyne	CACNA1I	51	34
COCCN(CCF)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1	ZINC000852233016	FE	On-Demand	Anodyne	ADRA1A	42	38
COCCN(CCF)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1	ZINC000852233018	FE	On-Demand	Anodyne	ADRA1A	42	38
CC(C)c1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccc[nH]1)CC2	ZINC000852233078	DH	On-Demand	Anodyne	MAPK1	52	41
CC(C)c1ccc2c(c1)CN(C(=O)N[C@H](C)c1ccc[nH]1)CC2	ZINC000852233080	DH	On-Demand	Anodyne	MAPK1	52	41
O=C(NCc1ccc(N2CCCNC2=O)cc1)NCc1noc(C2CC2)n1	ZINC000852233093	FD	On-Demand	Anodyne	SPHK1	19	42
O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852233164	FG	On-Demand	Anodyne	ENV	41	38
O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852233168	FG	On-Demand	Anodyne	ENV	41	38
O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852233169	FG	On-Demand	Anodyne	ENV	41	38
O=C(NCc1noc(C2CC2)n1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852233202	GF	On-Demand	Anodyne	ETHR	42	34
CN1CC[C@H](NC(=O)NCc2ncccn2)[C@H]1c1ccc(F)c(F)c1	ZINC000852233305	ED	On-Demand	Anodyne	ADRA1D	28	40
CN1CC[C@H](NC(=O)NCc2ncccn2)[C@H]1c1ccc(F)c(F)c1	ZINC000852233305	ED	On-Demand	Anodyne	ADRA1A	50	40
CN1CC[C@H](NC(=O)NCc2ncccn2)[C@H]1c1ccc(F)c(F)c1	ZINC000852233305	ED	On-Demand	Anodyne	ADRA1B	32	40
CN1CC[C@H](NC(=O)NCc2ncccn2)[C@@H]1c1ccc(F)c(F)c1	ZINC000852233306	ED	On-Demand	Anodyne	ADRA1D	28	40
CN1CC[C@H](NC(=O)NCc2ncccn2)[C@@H]1c1ccc(F)c(F)c1	ZINC000852233306	ED	On-Demand	Anodyne	ADRA1A	50	40
CN1CC[C@H](NC(=O)NCc2ncccn2)[C@@H]1c1ccc(F)c(F)c1	ZINC000852233306	ED	On-Demand	Anodyne	ADRA1B	32	40
C[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccc[nH]1	ZINC000852233445	BD	On-Demand	Anodyne	TAAR1	26	42
COc1ccc([C@@H]2CCCN2C(=O)NCc2ccn(C)n2)cc1F	ZINC000852233475	EF	On-Demand	Anodyne	ACKR3	50	31
O=C(NCc1ncccn1)NCC1(c2ccc(Cl)cc2Cl)CCCC1	ZINC000852233555	GI	On-Demand	Anodyne	SLC6A9	49	39
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1noc(C2CC2)n1	ZINC000852233661	FD	On-Demand	Clean	SPHK1	18	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1noc(C2CC2)n1	ZINC000852233661	FD	On-Demand	Clean	ETHR	40	31
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233743	EF	On-Demand	Anodyne	ACHE	36	45
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233743	EF	On-Demand	Anodyne	HTR4	52	44
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233743	EF	On-Demand	Anodyne	SIGMAR1	26	41
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233743	EF	On-Demand	Anodyne	CCR3	37	42
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233743	EF	On-Demand	Anodyne	CACNA1I	68	42
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233744	EF	On-Demand	Anodyne	ACHE	36	45
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233744	EF	On-Demand	Anodyne	HTR4	52	44
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233744	EF	On-Demand	Anodyne	SIGMAR1	26	41
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233744	EF	On-Demand	Anodyne	CCR3	37	42
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc[nH]1	ZINC000852233744	EF	On-Demand	Anodyne	CACNA1I	68	42
O=C(NCc1noc(C2CC2)n1)N1CCC(N2CCOC2=O)CC1	ZINC000852233803	ED	On-Demand	Anodyne	ETHR	47	34
O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852233804	GF	On-Demand	Anodyne	ENV	40	35
O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852233806	GF	On-Demand	Anodyne	ENV	40	35
O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852233809	GF	On-Demand	Anodyne	ENV	40	35
COc1cccc([C@]2(C)CCN(C(=O)NCc3ccn(C)n3)C2)c1	ZINC000852233823	EE	On-Demand	Anodyne	DRD4	44	33
C[C@@H](NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1)c1ccc[nH]1	ZINC000852234036	EI	On-Demand	Anodyne	MAPK1	52	41
C[C@H](NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc[nH]1	ZINC000852234097	EH	On-Demand	Anodyne	CACNA1I	42	34
C[C@@H](NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc[nH]1	ZINC000852234098	EH	On-Demand	Anodyne	CACNA1I	42	34
C[C@H](NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)c1ccc[nH]1	ZINC000852234101	EH	On-Demand	Anodyne	CACNA1I	42	34
C[C@@H](NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)c1ccc[nH]1	ZINC000852234104	EH	On-Demand	Anodyne	CACNA1I	42	34
CN1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000852234193	GG	On-Demand	Anodyne	ENV	40	36
CN1CC[C@H](CNC(=O)N[C@H]2COC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000852234194	GG	On-Demand	Anodyne	ENV	40	36
CN1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000852234195	GG	On-Demand	Anodyne	ENV	40	36
CN1CC[C@H](CNC(=O)N[C@@H]2COC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000852234196	GG	On-Demand	Anodyne	ENV	40	36
COC(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc[nH]2)c(F)c1	ZINC000852234325	DF	On-Demand	Anodyne	BDKRB1	25	40
COC(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc[nH]2)c(F)c1	ZINC000852234326	DF	On-Demand	Anodyne	BDKRB1	25	40
C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccc[nH]1	ZINC000852234354	EH	On-Demand	Anodyne	TRPM8	17	50
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)[C@H](C)c1ccccc1C(F)(F)F	ZINC000852234376	GH	On-Demand	Anodyne	RBP4	50	36
CC(C)c1ccc2c(c1)CN(C(=O)NCc1ccn(C)n1)CC2	ZINC000852234389	DF	On-Demand	Anodyne	MAPK1	46	36
O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852234594	GE	On-Demand	Anodyne	MMP13	45	36
O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852234595	GE	On-Demand	Anodyne	MMP13	45	36
O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852234596	GE	On-Demand	Anodyne	MMP13	45	36
O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852234597	GE	On-Demand	Anodyne	MMP13	45	36
COCCN(CCF)C(=O)NCC(C)(C)C1CCCCC1	ZINC000852234655	DG	On-Demand	Anodyne	AMY2	46	32
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCC(C)(C)C2)O1	ZINC000852234668	GE	On-Demand	Reactive	DRD4	21	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@H]2CCC(C)(C)C2)O1	ZINC000852234668	GE	On-Demand	Reactive	SIGMAR1	28	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCC(C)(C)C2)O1	ZINC000852234669	GE	On-Demand	Reactive	DRD4	21	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CCC(C)(C)C2)O1	ZINC000852234669	GE	On-Demand	Reactive	SIGMAR1	28	40
COC[C@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccccc1	ZINC000852234671	DD	On-Demand	Anodyne	TACR3	17	44
COC[C@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccccc1	ZINC000852234671	DD	On-Demand	Anodyne	UTS2	53	40
COC[C@@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccccc1	ZINC000852234672	DD	On-Demand	Anodyne	TACR3	17	44
COC[C@@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccccc1	ZINC000852234672	DD	On-Demand	Anodyne	UTS2	53	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ncn(C)n3)C2)cc1	ZINC000852234692	EC	On-Demand	Clean	MCHR1	15	43
COC[C@@H](NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000852234718	FC	On-Demand	Reactive	BIRC8	44	31
COC[C@H](NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000852234719	FC	On-Demand	Reactive	BIRC8	44	31
COC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234873	GI	On-Demand	Anodyne	PAPA1_CARPA	39	42
COC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234873	GI	On-Demand	Anodyne	CCKAR	21	42
COC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234873	GI	On-Demand	Anodyne	CTSL	15	43
COC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234873	GI	On-Demand	Anodyne	TACR3	22	40
COC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234873	GI	On-Demand	Anodyne	ROCK2	21	42
COC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234873	GI	On-Demand	Anodyne	SOAT1	19	44
COC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234873	GI	On-Demand	Anodyne	FPR1	50	36
COC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234873	GI	On-Demand	Anodyne	PDS	58	35
COC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234874	GI	On-Demand	Anodyne	PAPA1_CARPA	39	42
COC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234874	GI	On-Demand	Anodyne	CCKAR	21	42
COC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234874	GI	On-Demand	Anodyne	CTSL	15	43
COC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234874	GI	On-Demand	Anodyne	TACR3	22	40
COC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234874	GI	On-Demand	Anodyne	ROCK2	21	42
COC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234874	GI	On-Demand	Anodyne	SOAT1	19	44
COC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234874	GI	On-Demand	Anodyne	FPR1	50	36
COC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852234874	GI	On-Demand	Anodyne	PDS	58	35
O=C(NCCCc1cccs1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852234936	GH	On-Demand	Anodyne	PTPRF	19	42
COC[C@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852234957	ED	On-Demand	Anodyne	CCR5	28	42
COC[C@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852234958	ED	On-Demand	Anodyne	CCR5	28	42
COC[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852234959	ED	On-Demand	Anodyne	CCR5	28	42
COC[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852234960	ED	On-Demand	Anodyne	CCR5	28	42
CCC(CC)(CNC(=O)NCc1ccn(C)n1)c1ccc(F)cc1	ZINC000852234995	EG	On-Demand	Anodyne	CACNA1G	38	44
COC[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235138	GH	On-Demand	Anodyne	ADRB1	27	45
COC[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235138	GH	On-Demand	Anodyne	ADRB3	45	45
COC[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235138	GH	On-Demand	Anodyne	CTSB	15	40
COC[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235138	GH	On-Demand	Anodyne	TACR3	18	44
COC[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235138	GH	On-Demand	Anodyne	CAPN2	26	40
COC[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235139	GH	On-Demand	Anodyne	ADRB1	27	45
COC[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235139	GH	On-Demand	Anodyne	ADRB3	45	45
COC[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235139	GH	On-Demand	Anodyne	CTSB	15	40
COC[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235139	GH	On-Demand	Anodyne	TACR3	18	44
COC[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235139	GH	On-Demand	Anodyne	CAPN2	26	40
COC[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235140	GH	On-Demand	Anodyne	ADRB1	27	45
COC[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235140	GH	On-Demand	Anodyne	ADRB3	45	45
COC[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235140	GH	On-Demand	Anodyne	CTSB	15	40
COC[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235140	GH	On-Demand	Anodyne	TACR3	18	44
COC[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235140	GH	On-Demand	Anodyne	CAPN2	26	40
COC[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235141	GH	On-Demand	Anodyne	ADRB1	27	45
COC[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235141	GH	On-Demand	Anodyne	ADRB3	45	45
COC[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235141	GH	On-Demand	Anodyne	CTSB	15	40
COC[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235141	GH	On-Demand	Anodyne	TACR3	18	44
COC[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852235141	GH	On-Demand	Anodyne	CAPN2	26	40
O=C(NCc1ncccn1)NCC1(c2ccc(F)cc2Cl)CC1	ZINC000852235249	EF	On-Demand	Anodyne	P2RX7	47	40
O=C(NCc1ncccn1)NCC1(c2ccccc2Cl)CCCCC1	ZINC000852235338	FH	On-Demand	Anodyne	NMBR	44	38
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)cc(OC)c3)C2)cc1	ZINC000852235355	FF	On-Demand	Clean	CCR3	38	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)cc(OC)c3)C2)cc1	ZINC000852235355	FF	On-Demand	Clean	MCHR1	23	49
O=C(NCc1ncccn1)NCC1(c2ccc(Cl)cc2Cl)CCC1	ZINC000852235361	FH	On-Demand	Anodyne	SLC6A9	45	39
COC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235428	FF	On-Demand	Clean	EDNRA	18	40
COC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235428	FF	On-Demand	Clean	CCR5	18	47
COC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235428	FF	On-Demand	Clean	MTNR1B	17	46
COC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235428	FF	On-Demand	Clean	MCHR1	15	41
COC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235430	FF	On-Demand	Clean	EDNRA	18	40
COC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235430	FF	On-Demand	Clean	CCR5	18	47
COC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235430	FF	On-Demand	Clean	MTNR1B	17	46
COC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235430	FF	On-Demand	Clean	MCHR1	15	41
COC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235432	FF	On-Demand	Clean	EDNRA	18	40
COC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235432	FF	On-Demand	Clean	CCR5	18	47
COC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235432	FF	On-Demand	Clean	MTNR1B	17	46
COC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235432	FF	On-Demand	Clean	MCHR1	15	41
COC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235434	FF	On-Demand	Clean	EDNRA	18	40
COC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235434	FF	On-Demand	Clean	CCR5	18	47
COC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235434	FF	On-Demand	Clean	MTNR1B	17	46
COC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852235434	FF	On-Demand	Clean	MCHR1	15	41
C[C@@H](NC(=O)NCC1SCCS1)c1ccc2ccccc2c1	ZINC000852235439	EI	On-Demand	Anodyne	F7	15	47
C[C@H](NC(=O)NCC1SCCS1)c1ccc2ccccc2c1	ZINC000852235440	EI	On-Demand	Anodyne	F7	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](C)O[C@H](C)C3)C2)cc1	ZINC000852235443	EF	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H](C)O[C@H](C)C3)C2)cc1	ZINC000852235444	EF	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@H](C)O[C@@H](C)C3)C2)cc1	ZINC000852235445	EF	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccn(C)n3)C2)cc1	ZINC000852235480	ED	On-Demand	Clean	MTNR1A	15	44
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852235554	EF	On-Demand	Anodyne	MTNR1A	22	41
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852235554	EF	On-Demand	Anodyne	F7	15	44
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852235554	EF	On-Demand	Anodyne	UTS2	46	44
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852235555	EF	On-Demand	Anodyne	MTNR1A	22	41
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852235555	EF	On-Demand	Anodyne	F7	15	44
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852235555	EF	On-Demand	Anodyne	UTS2	46	44
COC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852235556	EE	On-Demand	Anodyne	CCR5	21	43
COC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852235556	EE	On-Demand	Anodyne	BIRC8	46	33
COC[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852235557	EE	On-Demand	Anodyne	CCR5	21	43
COC[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852235557	EE	On-Demand	Anodyne	BIRC8	46	33
C[C@@H](NC(=O)NCCC1SCCS1)c1ccc2ccccc2c1	ZINC000852235611	EI	On-Demand	Anodyne	F7	15	45
C[C@H](NC(=O)NCCC1SCCS1)c1ccc2ccccc2c1	ZINC000852235612	EI	On-Demand	Anodyne	F7	15	45
COCCN(CCF)C(=O)N[C@@H](COC)c1ccccc1	ZINC000852235650	CE	On-Demand	Anodyne	TACR3	23	45
COCCN(CCF)C(=O)N[C@@H](COC)c1ccccc1	ZINC000852235650	CE	On-Demand	Anodyne	UTS2	42	36
COCCN(CCF)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852235658	DH	On-Demand	Anodyne	UTS2	43	42
O=C(NCCCc1cccs1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852235660	FI	On-Demand	Anodyne	ADRB1	15	42
O=C(NCCCc1cccs1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852235661	FI	On-Demand	Anodyne	ADRB1	15	42
COc1ccc(N2CC[C@H](NC(=O)NCCCc3cccs3)C2)cc1	ZINC000852235698	FG	On-Demand	Clean	BMP1	25	45
COc1ccc(N2CC[C@H](NC(=O)NCCCc3cccs3)C2)cc1	ZINC000852235698	FG	On-Demand	Clean	MTNR1A	24	44
COc1ccc(N2CC[C@H](NC(=O)NCCCc3cccs3)C2)cc1	ZINC000852235698	FG	On-Demand	Clean	MTNR1B	21	44
COC[C@@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852235702	CD	On-Demand	Anodyne	TACR3	49	48
COC[C@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852235703	CD	On-Demand	Anodyne	TACR3	49	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC(C)(C)C3)C2)cc1	ZINC000852235706	EG	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC(C)(C)C3)C2)cc1	ZINC000852235706	EG	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC(C)(C)C3)C2)cc1	ZINC000852235706	EG	On-Demand	Clean	EPHX2	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC(C)(C)C3)C2)cc1	ZINC000852235707	EG	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC(C)(C)C3)C2)cc1	ZINC000852235707	EG	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC(C)(C)C3)C2)cc1	ZINC000852235707	EG	On-Demand	Clean	EPHX2	20	42
O=C(NCCCc1cccs1)NCc1ncccn1	ZINC000852235752	CD	On-Demand	Anodyne	MTNR1A	16	40
O=C(NCCCc1cccs1)NCc1ncccn1	ZINC000852235752	CD	On-Demand	Anodyne	MTNR1B	18	40
COC[C@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1ccccc1	ZINC000852235761	GD	On-Demand	Reactive	SOAT1	15	40
COC[C@@H](NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1ccccc1	ZINC000852235762	GD	On-Demand	Reactive	SOAT1	15	40
O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852236059	FE	On-Demand	Anodyne	NPSR1	23	40
O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852236060	FE	On-Demand	Anodyne	NPSR1	23	40
CCC1(O)CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852236083	FF	On-Demand	Clean	MTNR1A	18	50
CCC1(O)CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852236083	FF	On-Demand	Clean	MTNR1B	19	50
CCC1(O)CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852236083	FF	On-Demand	Clean	EPHX2	33	47
CCC1(O)CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852236084	FF	On-Demand	Clean	MTNR1A	18	50
CCC1(O)CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852236084	FF	On-Demand	Clean	MTNR1B	19	50
CCC1(O)CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852236084	FF	On-Demand	Clean	EPHX2	33	47
CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852236207	GG	On-Demand	Anodyne	GPR119	27	42
CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852236208	GG	On-Demand	Anodyne	GPR119	27	42
O=C(NCCc1cnccn1)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852236285	FE	On-Demand	Anodyne	GPBAR1	15	40
O=C(NCCc1cnccn1)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852236286	FE	On-Demand	Anodyne	GPBAR1	15	40
O=C(NCCc1cnccn1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852236300	DD	On-Demand	Anodyne	EPHX2	26	45
COc1ccc([C@@H]2CCCN2C(=O)NCCc2cnccn2)cc1F	ZINC000852236380	EF	On-Demand	Anodyne	ACKR3	64	33
O=C(NCCc1cnccn1)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852236396	FF	On-Demand	Anodyne	P2RY14	45	36
COCCn1cc([C@@H]2OCC[C@H]2NCCCNC(=O)C(F)(F)F)cn1	ZINC000852236441	FD	On-Demand	Anodyne	PANC	44	31
CCC1(O)CCC(NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852236467	GH	On-Demand	Anodyne	EPHX2	20	41
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	ESR1	81	38
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	ACHE	17	42
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	HRH2	36	45
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	ESR2	57	38
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	LTA4H	88	53
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	HRH3	75	48
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	HNMT	74	48
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	EPHX2	16	41
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	TNK2	19	41
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	PSMB2	46	47
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCc1ncccn1	ZINC000852236526	FD	On-Demand	Anodyne	PSMB1	50	47
CCC(CC)(CNC(=O)NCCc1cnccn1)c1ccc(F)cc1	ZINC000852236542	EG	On-Demand	Anodyne	CACNA1G	36	41
COC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852236559	ED	On-Demand	Anodyne	CCR5	26	45
COC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852236559	ED	On-Demand	Anodyne	EPHX2	35	40
COC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852236561	ED	On-Demand	Anodyne	CCR5	26	45
COC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852236561	ED	On-Demand	Anodyne	EPHX2	35	40
CCC1(O)CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852236569	GF	On-Demand	Clean	EPHX2	19	44
CCC1(O)CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852236569	GF	On-Demand	Clean	SLC12A5	44	31
COCCn1cc([C@@H]2OCC[C@H]2NCc2ccc(OC(C)=O)cc2)cn1	ZINC000852236579	FE	On-Demand	Anodyne	PANC	45	31
COCCn1cc([C@@H]2OCC[C@H]2NCc2cccc(C(=O)C(F)(F)F)c2)cn1	ZINC000852236765	GF	On-Demand	Anodyne	PANC	51	34
C#C[C@@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236884	GE	On-Demand	Mild	ESR1	73	35
C#C[C@@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236884	GE	On-Demand	Mild	ESR2	51	35
C#C[C@@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236884	GE	On-Demand	Mild	LTA4H	52	43
C#C[C@@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236884	GE	On-Demand	Mild	HRH3	41	46
C#C[C@@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236884	GE	On-Demand	Mild	PSMB2	39	40
C#C[C@@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236884	GE	On-Demand	Mild	PSMB1	43	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1COC2(CCCC2)O1	ZINC000852236917	GE	On-Demand	Anodyne	ACHE	17	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1COC2(CCCC2)O1	ZINC000852236917	GE	On-Demand	Anodyne	SIGMAR1	16	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1COC2(CCCC2)O1	ZINC000852236917	GE	On-Demand	Anodyne	CACNA1I	47	38
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1COC2(CCCC2)O1	ZINC000852236919	GE	On-Demand	Anodyne	ACHE	17	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1COC2(CCCC2)O1	ZINC000852236919	GE	On-Demand	Anodyne	SIGMAR1	16	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1COC2(CCCC2)O1	ZINC000852236919	GE	On-Demand	Anodyne	CACNA1I	47	38
C#C[C@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236926	GE	On-Demand	Mild	ESR1	73	35
C#C[C@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236926	GE	On-Demand	Mild	ESR2	51	35
C#C[C@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236926	GE	On-Demand	Mild	LTA4H	52	43
C#C[C@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236926	GE	On-Demand	Mild	HRH3	41	46
C#C[C@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236926	GE	On-Demand	Mild	PSMB2	39	40
C#C[C@H](NC(=O)NCCc1ccc(OCCN2CCCC2)cc1)C1CCOCC1	ZINC000852236926	GE	On-Demand	Mild	PSMB1	43	40
CCC1(O)CCC(NC(=O)N2CCC(NC(=O)OC)CC2)CC1	ZINC000852236942	ED	On-Demand	Anodyne	EPHX2	17	42
O=C(NCCc1cnccn1)NCc1cccnc1N1CCCC1	ZINC000852237035	ED	On-Demand	Anodyne	SCN2A	20	48
O=C(NCCc1cnccn1)NCc1cccnc1N1CCCC1	ZINC000852237035	ED	On-Demand	Anodyne	SCN10A	21	48
O=C(NCCc1cnccn1)NCc1cccnc1N1CCCC1	ZINC000852237035	ED	On-Demand	Anodyne	NAMPT	35	41
COc1cccc([C@]2(C)CCN(C(=O)NCCc3cnccn3)C2)c1	ZINC000852237057	EE	On-Demand	Anodyne	DRD4	44	33
COc1cccc([C@]2(C)CCN(C(=O)NCCc3cnccn3)C2)c1	ZINC000852237057	EE	On-Demand	Anodyne	MTNR1A	46	35
COc1cccc([C@]2(C)CCN(C(=O)NCCc3cnccn3)C2)c1	ZINC000852237057	EE	On-Demand	Anodyne	MTNR1B	41	35
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@]2(C)CCCc3ccccc32)O1	ZINC000852237084	FD	On-Demand	Reactive	HCN1	43	34
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@]2(C)CCCc3ccccc32)O1	ZINC000852237086	FD	On-Demand	Reactive	HCN1	43	34
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@]2(C)CCCc3ccccc32)O1	ZINC000852237087	FD	On-Demand	Reactive	HCN1	43	34
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@]2(C)CCCc3ccccc32)O1	ZINC000852237088	FD	On-Demand	Reactive	HCN1	43	34
COCCn1cc([C@@H]2OCC[C@H]2NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000852237089	GD	On-Demand	Bother	CACNA1C	44	36
COCCn1cc([C@@H]2OCC[C@H]2NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000852237089	GD	On-Demand	Bother	CACNA1D	63	34
COCCn1cc([C@@H]2OCC[C@H]2NC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000852237090	GD	On-Demand	Bother	CACNA1C	44	36
COCCn1cc([C@@H]2OCC[C@H]2NC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1	ZINC000852237090	GD	On-Demand	Bother	CACNA1D	63	34
COCCn1cc([C@@H]2OCC[C@H]2NCC(=O)Nc2ccc(Cl)nc2)cn1	ZINC000852237097	GD	On-Demand	Anodyne	PANC	44	31
COC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)c(F)c1	ZINC000852237130	GE	On-Demand	Anodyne	MAPK1	28	40
COC[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccc(F)c(F)c1	ZINC000852237131	GE	On-Demand	Anodyne	MAPK1	28	40
CC(C)(C)OC(=O)CCCCNC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852237143	GH	On-Demand	Anodyne	SOAT1	15	41
CC(C)(C)OC(=O)CCCCNC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852237144	GH	On-Demand	Anodyne	SOAT1	15	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3COC4(CCCC4)O3)C2)cc1	ZINC000852237158	GE	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3COC4(CCCC4)O3)C2)cc1	ZINC000852237158	GE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3COC4(CCCC4)O3)C2)cc1	ZINC000852237160	GE	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3COC4(CCCC4)O3)C2)cc1	ZINC000852237160	GE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ncoc3C)C2)cc1	ZINC000852237229	EE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ncoc3C)C2)cc1	ZINC000852237229	EE	On-Demand	Clean	MCHR1	15	44
COC[C@@H](NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1	ZINC000852237241	FF	On-Demand	Anodyne	FPR1	40	35
COC[C@@H](NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1	ZINC000852237242	FF	On-Demand	Anodyne	FPR1	40	35
COC[C@H](NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1	ZINC000852237243	FF	On-Demand	Anodyne	FPR1	40	35
COC[C@H](NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1ccccc1	ZINC000852237244	FF	On-Demand	Anodyne	FPR1	40	35
CSc1cc(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)ccn1	ZINC000852237262	GH	On-Demand	Anodyne	ADRB2	28	41
CSc1cc(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)ccn1	ZINC000852237264	GH	On-Demand	Anodyne	ADRB2	28	41
COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852237289	EE	On-Demand	Anodyne	ANPEP	17	45
COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2ncccn2)cc1	ZINC000852237292	EE	On-Demand	Anodyne	ANPEP	17	45
O=C(NCCc1cnccn1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852237303	FF	On-Demand	Anodyne	SCD1	27	47
O=C(NCCc1cnccn1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852237303	FF	On-Demand	Anodyne	SCD	48	41
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852237311	EF	On-Demand	Anodyne	ESR1	69	36
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852237311	EF	On-Demand	Anodyne	HRH2	43	42
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852237311	EF	On-Demand	Anodyne	ESR2	49	36
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852237311	EF	On-Demand	Anodyne	LTA4H	65	47
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852237311	EF	On-Demand	Anodyne	HRH3	61	46
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852237311	EF	On-Demand	Anodyne	PSMB2	44	44
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1C=CCC1	ZINC000852237311	EF	On-Demand	Anodyne	PSMB1	49	44
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852237312	EF	On-Demand	Anodyne	ESR1	69	36
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852237312	EF	On-Demand	Anodyne	HRH2	43	42
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852237312	EF	On-Demand	Anodyne	ESR2	49	36
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852237312	EF	On-Demand	Anodyne	LTA4H	65	47
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852237312	EF	On-Demand	Anodyne	HRH3	61	46
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852237312	EF	On-Demand	Anodyne	PSMB2	44	44
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1C=CCC1	ZINC000852237312	EF	On-Demand	Anodyne	PSMB1	49	44
O=C(NCCc1cnccn1)NCC1CCN(CC2CC2)CC1	ZINC000852237335	DD	On-Demand	Anodyne	CACNA1I	54	34
CC[C@H](NC(=O)CONC(=N)c1ccc(OC)c(OC)c1)c1ccc(Cl)cc1	ZINC000852237374	HG	On-Demand	Anodyne	UTS2	44	36
CC[C@@H](NC(=O)CONC(=N)c1ccc(OC)c(OC)c1)c1ccc(Cl)cc1	ZINC000852237377	HG	On-Demand	Anodyne	UTS2	44	36
C[C@@H](NC(=O)NCCc1cnccn1)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852237433	GI	On-Demand	Anodyne	KCNA5	20	43
C[C@@H](NC(=O)NCCc1cnccn1)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852237433	GI	On-Demand	Anodyne	PA	16	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3nnnn3C)C2)cc1	ZINC000852237503	EC	On-Demand	Clean	MTNR1A	15	42
O=C(NCc1ncccn1)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852237571	GI	On-Demand	Anodyne	RBP4	67	35
O=C(NCc1ncccn1)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852237572	GI	On-Demand	Anodyne	RBP4	67	35
O=C(NCc1ncccn1)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852237573	GI	On-Demand	Anodyne	RBP4	67	35
O=C(NCc1ncccn1)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852237574	GI	On-Demand	Anodyne	RBP4	67	35
CCN1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000852237591	GH	On-Demand	Anodyne	ENV	41	36
CCN1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000852237592	GH	On-Demand	Anodyne	ENV	41	36
CCN1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000852237593	GH	On-Demand	Anodyne	ENV	41	36
CCN1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000852237594	GH	On-Demand	Anodyne	ENV	41	36
O=C(NCCc1cnccn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852237616	FD	On-Demand	Anodyne	ACHE	29	47
O=C(NCCc1cnccn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852237616	FD	On-Demand	Anodyne	SIGMAR1	25	46
O=C(NCCc1cnccn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852237616	FD	On-Demand	Anodyne	SSTR5	51	37
O=C(NCCc1cnccn1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852237616	FD	On-Demand	Anodyne	CACNA1I	60	43
O=C(NCCc1cnccn1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852237617	FE	On-Demand	Anodyne	SSTR3	31	45
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852237655	GF	On-Demand	Anodyne	ESR1	70	36
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852237655	GF	On-Demand	Anodyne	HRH2	34	42
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852237655	GF	On-Demand	Anodyne	ESR2	48	38
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852237655	GF	On-Demand	Anodyne	LTA4H	53	47
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852237655	GF	On-Demand	Anodyne	HRH3	39	43
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852237655	GF	On-Demand	Anodyne	PSMB2	41	41
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852237655	GF	On-Demand	Anodyne	PSMB1	44	41
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852237656	GF	On-Demand	Anodyne	ESR1	70	36
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852237656	GF	On-Demand	Anodyne	HRH2	34	42
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852237656	GF	On-Demand	Anodyne	ESR2	48	38
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852237656	GF	On-Demand	Anodyne	LTA4H	53	47
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852237656	GF	On-Demand	Anodyne	HRH3	39	43
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852237656	GF	On-Demand	Anodyne	PSMB2	41	41
O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852237656	GF	On-Demand	Anodyne	PSMB1	44	41
C[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCc2ccccc21	ZINC000852237657	FE	On-Demand	Reactive	HCN1	47	32
COC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(F)c(F)c1	ZINC000852237659	FE	On-Demand	Anodyne	MAPK1	30	43
COC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(F)c(F)c1	ZINC000852237660	FE	On-Demand	Anodyne	MAPK1	30	43
O=C(NCCc1cnccn1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852237672	FF	On-Demand	Anodyne	KCNH2	42	41
O=C(NCCc1cnccn1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852237672	FF	On-Demand	Anodyne	EPHX2	16	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCC(=O)OC(C)(C)C)C2)cc1	ZINC000852237699	GG	On-Demand	Clean	EPHX2	15	43
O=C(NC[C@@H]1COC2(CCCC2)O1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852237722	GG	On-Demand	Anodyne	TRPM8	19	48
O=C(NC[C@H]1COC2(CCCC2)O1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852237723	GG	On-Demand	Anodyne	TRPM8	19	48
COC[C@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)c(F)c1	ZINC000852237745	FE	On-Demand	Anodyne	MAPK1	37	47
COC[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(F)c(F)c1	ZINC000852237746	FE	On-Demand	Anodyne	MAPK1	37	47
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CCO[C@H](C)C2)O1	ZINC000852237814	GD	On-Demand	Reactive	DRD4	20	41
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CCO[C@H](C)C2)O1	ZINC000852237815	GD	On-Demand	Reactive	DRD4	20	41
C[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)CCO1	ZINC000852237817	GD	On-Demand	Reactive	DRD4	20	41
COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)cc1	ZINC000852237838	GF	On-Demand	Anodyne	MTNR1A	15	44
COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)cc1	ZINC000852237838	GF	On-Demand	Anodyne	SOAT1	25	42
COc1ccc([C@@H](OC)[C@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)cc1	ZINC000852237839	GF	On-Demand	Anodyne	MTNR1A	15	44
COc1ccc([C@@H](OC)[C@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)cc1	ZINC000852237839	GF	On-Demand	Anodyne	SOAT1	25	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3cnccn3)C2)cc1	ZINC000852237910	ED	On-Demand	Clean	MTNR1A	19	45
O=C(NCCc1cnccn1)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852237989	FG	On-Demand	Anodyne	MAPK1	45	37
CC(C)(C)OC(=O)CCCCNC(=O)NCC1SCCS1	ZINC000852237994	EF	On-Demand	Anodyne	EPHX2	26	60
COCCn1cc([C@@H]2OCC[C@H]2NCC(=O)Nc2cccnc2Cl)cn1	ZINC000852238005	GD	On-Demand	Anodyne	G2YM83_BOTF4	63	32
COC[C@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)c(F)c1	ZINC000852238007	FD	On-Demand	Anodyne	MAPK1	27	40
COC[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)c(F)c1	ZINC000852238009	FD	On-Demand	Anodyne	MAPK1	27	40
COC[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(F)c(F)c1	ZINC000852238011	FD	On-Demand	Anodyne	MAPK1	27	40
COC[C@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccc(F)c(F)c1	ZINC000852238013	FD	On-Demand	Anodyne	MAPK1	27	40
O=C(NOC1CCCC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852238106	GG	On-Demand	Anodyne	EPHX2	25	45
COCCn1cc([C@@H]2OCC[C@H]2NCCc2ccc(S(N)(=O)=O)cc2)cn1	ZINC000852238155	GC	On-Demand	Anodyne	CA2	40	38
O=C(NCCc1cnccn1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852238177	FD	On-Demand	Clean	STAT6	20	40
O=C(NCCc1cnccn1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852238177	FD	On-Demand	Clean	NAMPT	57	40
NC(=O)c1cccc2c1CCN(C(=O)NOC1CCCC1)C2	ZINC000852238196	DD	On-Demand	Anodyne	PARP1	21	43
COCCn1cc([C@@H]2OCC[C@H]2NCCCOC(=O)NC(N)=O)cn1	ZINC000852238290	FC	On-Demand	Anodyne	PANC	48	31
CC(C)c1ccc2c(c1)CN(C(=O)NCCc1cnccn1)CC2	ZINC000852238334	DF	On-Demand	Anodyne	MAPK1	52	37
C[C@H](NC(=O)NCCC1SCCS1)c1ccccc1[N+](=O)[O-]	ZINC000852238364	EG	On-Demand	Bother	COLA	72	32
C[C@@H](NC(=O)NCCC1SCCS1)c1ccccc1[N+](=O)[O-]	ZINC000852238366	EG	On-Demand	Bother	COLA	72	32
CN(c1ccccc1)[C@H]1CCN(C(=O)NOC2CCCC2)C1	ZINC000852238368	DF	On-Demand	Anodyne	CHRM1	27	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NOC2CCCC2)C1	ZINC000852238368	DF	On-Demand	Anodyne	AMY2	48	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOC2CCCC2)C1	ZINC000852238370	DF	On-Demand	Anodyne	CHRM1	27	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOC2CCCC2)C1	ZINC000852238370	DF	On-Demand	Anodyne	AMY2	48	36
COC(=O)c1ccc(CNC(=O)NCCc2cnccn2)c(F)c1	ZINC000852238400	ED	On-Demand	Anodyne	ROCK2	32	42
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852238402	GF	On-Demand	Anodyne	ESR1	79	37
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852238402	GF	On-Demand	Anodyne	ESR2	55	38
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852238402	GF	On-Demand	Anodyne	LTA4H	68	49
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852238402	GF	On-Demand	Anodyne	HRH3	59	46
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852238402	GF	On-Demand	Anodyne	PSMB2	44	46
O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC1SCCS1	ZINC000852238402	GF	On-Demand	Anodyne	PSMB1	48	46
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1COC2(CCCCC2)O1	ZINC000852238418	FF	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1COC2(CCCCC2)O1	ZINC000852238418	FF	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1COC2(CCCCC2)O1	ZINC000852238419	FF	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1COC2(CCCCC2)O1	ZINC000852238419	FF	On-Demand	Anodyne	SCN10A	19	44
O=C(NOC1CCCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852238430	EH	On-Demand	Anodyne	KCNH2	46	46
O=C(NOC1CCCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852238430	EH	On-Demand	Anodyne	EPHX2	15	45
O=C(NOC1CCCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852238430	EH	On-Demand	Anodyne	GLRA1	43	32
O=C(NCCc1cnccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852238445	GF	On-Demand	Anodyne	CNR1	57	41
O=C(NCCc1cnccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852238445	GF	On-Demand	Anodyne	MC4R	45	37
O=C(NCCc1cnccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852238445	GF	On-Demand	Anodyne	P2RX7	19	43
O=C(NCCc1cnccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852238445	GF	On-Demand	Anodyne	NPY2R	24	40
O=C(NCCc1cnccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852238445	GF	On-Demand	Anodyne	CXCR3	26	50
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCCCC2)O1	ZINC000852238450	FF	On-Demand	Anodyne	ADRA1D	20	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCCCC2)O1	ZINC000852238450	FF	On-Demand	Anodyne	ADRA1B	20	47
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCCCC2)O1	ZINC000852238453	FF	On-Demand	Anodyne	ADRA1D	20	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCCCC2)O1	ZINC000852238453	FF	On-Demand	Anodyne	ADRA1B	20	47
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccc(Cl)cn1	ZINC000852238486	FF	On-Demand	Clean	F10	22	43
COCCN(CCF)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852238648	DE	On-Demand	Bother	COLA	102	34
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NOC1CCCC1	ZINC000852238768	FD	On-Demand	Clean	TPSAB1	16	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cn3)C2)cc1	ZINC000852238824	FF	On-Demand	Clean	F10	47	31
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cn3)C2)cc1	ZINC000852238824	FF	On-Demand	Clean	MCHR1	18	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cn3)C2)cc1	ZINC000852238824	FF	On-Demand	Clean	NPBWR1	63	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCCC1	ZINC000852238834	DE	On-Demand	Anodyne	DRD2	23	47
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCCC1	ZINC000852238834	DE	On-Demand	Anodyne	SIGMAR1	32	45
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCCC1	ZINC000852238834	DE	On-Demand	Anodyne	PREP	37	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCCC1	ZINC000852238834	DE	On-Demand	Anodyne	EPHX2	16	43
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCCC1	ZINC000852238835	DE	On-Demand	Anodyne	DRD2	23	47
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCCC1	ZINC000852238835	DE	On-Demand	Anodyne	SIGMAR1	32	45
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCCC1	ZINC000852238835	DE	On-Demand	Anodyne	PREP	37	40
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCCC1	ZINC000852238835	DE	On-Demand	Anodyne	EPHX2	16	43
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccccc1[N+](=O)[O-]	ZINC000852238853	EE	On-Demand	Bother	COLA	79	34
CC(C)(C)OC(=O)CCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852238871	EF	On-Demand	Anodyne	EPHX2	21	53
CC(C)(C)OC(=O)CCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852238873	EF	On-Demand	Anodyne	EPHX2	21	53
CO[C@H]1CCC[C@@H]1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852238893	CE	On-Demand	Reactive	F10	50	33
COc1ccc2c(CN3CCOC[C@H]3C(=O)OC(C)(C)C)cc(=O)oc2c1	ZINC000852238906	GE	On-Demand	Anodyne	MAOB	21	45
COc1ccc2c(CN3CCOC[C@H]3C(=O)OC(C)(C)C)cc(=O)oc2c1	ZINC000852238906	GE	On-Demand	Anodyne	KDM1A	18	52
COc1ccc2c(CN3CCOC[C@@H]3C(=O)OC(C)(C)C)cc(=O)oc2c1	ZINC000852238908	GE	On-Demand	Anodyne	MAOB	21	45
COc1ccc2c(CN3CCOC[C@@H]3C(=O)OC(C)(C)C)cc(=O)oc2c1	ZINC000852238908	GE	On-Demand	Anodyne	KDM1A	18	52
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccccc1[N+](=O)[O-]	ZINC000852238910	FE	On-Demand	Bother	COLA	64	35
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccccc1[N+](=O)[O-]	ZINC000852238912	FE	On-Demand	Bother	COLA	64	35
COCCn1cc([C@@H]2OCC[C@H]2NCc2ccc(C(=O)N3CCCC3)cc2)cn1	ZINC000852238918	GE	On-Demand	Anodyne	PANC	42	33
COCCn1cc([C@@H]2OCC[C@H]2NCc2ccc(C(=O)N3CCCC3)cc2)cn1	ZINC000852238918	GE	On-Demand	Anodyne	L3MBTL3	53	35
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1COC2(CCCC2)O1	ZINC000852238997	FE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1COC2(CCCC2)O1	ZINC000852238997	FE	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1COC2(CCCC2)O1	ZINC000852238999	FE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1COC2(CCCC2)O1	ZINC000852238999	FE	On-Demand	Anodyne	SCN10A	19	43
O=C(NOC1CCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852239010	CF	On-Demand	Anodyne	EPHX2	47	45
COCCn1cc([C@@H]2OCC[C@H]2NCc2cc(=O)oc3cc(OC)ccc23)cn1	ZINC000852239025	GE	On-Demand	Anodyne	MAOB	18	40
C[C@@H](NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-]	ZINC000852239127	GH	On-Demand	Bother	COLA	106	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[C@@H]3OC)C2)cc1	ZINC000852239133	EE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[C@@H]3OC)C2)cc1	ZINC000852239133	EE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[C@H]3OC)C2)cc1	ZINC000852239134	EE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[C@H]3OC)C2)cc1	ZINC000852239134	EE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@H]3OC)C2)cc1	ZINC000852239135	EE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@H]3OC)C2)cc1	ZINC000852239135	EE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@@H]3OC)C2)cc1	ZINC000852239136	EE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[C@@H]3OC)C2)cc1	ZINC000852239136	EE	On-Demand	Clean	MTNR1B	15	45
O=C(NOC1CCCC1)N1CCC(c2ccon2)CC1	ZINC000852239151	CE	On-Demand	Anodyne	SMO	35	40
C[C@@H](NC(=O)N1CCn2ncc(Br)c2C1)c1ccccc1[N+](=O)[O-]	ZINC000852239199	GF	On-Demand	Bother	COLA	40	31
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000852239217	FE	On-Demand	Anodyne	ADRA1D	24	45
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000852239217	FE	On-Demand	Anodyne	ADRA1A	18	48
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000852239217	FE	On-Demand	Anodyne	ADRA1B	24	48
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000852239218	FE	On-Demand	Anodyne	ADRA1D	24	45
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000852239218	FE	On-Demand	Anodyne	ADRA1A	18	48
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000852239218	FE	On-Demand	Anodyne	ADRA1B	24	48
COCCN(CCF)C(=O)N[C@@H](COC)c1ccc(F)c(F)c1	ZINC000852239260	EE	On-Demand	Anodyne	UTS2	40	31
COCCn1cc([C@@H]2OCC[C@H]2NCC(=O)Nc2ccc(O)cc2)cn1	ZINC000852239303	FD	On-Demand	Anodyne	PANC	48	32
O=C(NOC1CCCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852239357	EF	On-Demand	Anodyne	SSTR3	35	51
O=C(NOC1CCCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852239357	EF	On-Demand	Anodyne	PRKACA	46	35
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852239380	EG	On-Demand	Anodyne	ADRB1	25	48
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852239380	EG	On-Demand	Anodyne	SLC6A3	17	48
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852239380	EG	On-Demand	Anodyne	ADRB3	28	43
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852239381	EG	On-Demand	Anodyne	ADRB1	25	48
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852239381	EG	On-Demand	Anodyne	SLC6A3	17	48
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852239381	EG	On-Demand	Anodyne	ADRB3	28	43
COc1ccc([C@@H]2CCCN2C(=O)NC[C@H]2COC3(CCCC3)O2)cc1F	ZINC000852239464	GG	On-Demand	Anodyne	ADRA1D	15	40
COc1ccc([C@@H]2CCCN2C(=O)NC[C@H]2COC3(CCCC3)O2)cc1F	ZINC000852239464	GG	On-Demand	Anodyne	ADRA1B	17	42
COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1F	ZINC000852239465	GG	On-Demand	Anodyne	ADRA1D	15	40
COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1F	ZINC000852239465	GG	On-Demand	Anodyne	ADRA1B	17	42
CC(C)(C)OC(=O)CCCCNC(=O)NCCC1SCCS1	ZINC000852239481	EF	On-Demand	Anodyne	EPHX2	21	57
C[C@@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccccc1[N+](=O)[O-]	ZINC000852239565	GD	On-Demand	Bother	COLA	104	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000852239615	EF	On-Demand	Anodyne	ADRA1D	21	43
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000852239615	EF	On-Demand	Anodyne	ADRA1A	15	46
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000852239615	EF	On-Demand	Anodyne	ADRA1B	21	46
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000852239616	EF	On-Demand	Anodyne	ADRA1D	21	43
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000852239616	EF	On-Demand	Anodyne	ADRA1A	15	46
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000852239616	EF	On-Demand	Anodyne	ADRA1B	21	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3sccc3C)C2)cc1	ZINC000852239640	FG	On-Demand	Clean	MTNR1A	18	43
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NC[C@H]1COC2(CCCC2)O1	ZINC000852239645	GG	On-Demand	Anodyne	MDM2	46	32
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NC[C@@H]1COC2(CCCC2)O1	ZINC000852239646	GG	On-Demand	Anodyne	MDM2	46	32
C[C@@H](NC(=O)NCC1SCCS1)c1ccccc1[N+](=O)[O-]	ZINC000852239662	EF	On-Demand	Bother	COLA	82	33
C[C@H](NC(=O)NCC1SCCS1)c1ccccc1[N+](=O)[O-]	ZINC000852239664	EF	On-Demand	Bother	COLA	82	33
O=C(NCC1CCN(CC2CC2)CC1)NOC1CCCC1	ZINC000852239784	CE	On-Demand	Anodyne	HTR4	21	44
O=C(NCC1CCN(CC2CC2)CC1)NOC1CCCC1	ZINC000852239784	CE	On-Demand	Anodyne	CACNA1I	50	35
N#Cc1ccc(-c2cc(N3CCN(C(=O)NOC4CCCC4)CC3)n[nH]2)cc1	ZINC000852239909	GF	On-Demand	Mild	PRKD1	40	40
Cn1cc(CCNC(=O)NOC2CCCC2)c2ccccc21	ZINC000852239921	DF	On-Demand	Anodyne	HTR4	35	42
Cn1cc(CCNC(=O)NOC2CCCC2)c2ccccc21	ZINC000852239921	DF	On-Demand	Anodyne	MTNR1A	30	43
Cn1cc(CCNC(=O)NOC2CCCC2)c2ccccc21	ZINC000852239921	DF	On-Demand	Anodyne	MTNR1B	22	43
O=C(NOC1CCCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852239922	EG	On-Demand	Anodyne	EPHX2	18	57
O=C(NOC1CCCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852239922	EG	On-Demand	Anodyne	TRPM8	29	54
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852239929	DD	On-Demand	Bother	COLA	105	35
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852239930	DD	On-Demand	Bother	COLA	105	35
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccccc1OCc1ccccc1	ZINC000852239934	GG	On-Demand	Anodyne	CAPN2	64	36
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccccc1OCc1ccccc1	ZINC000852239934	GG	On-Demand	Anodyne	NPR	50	32
O=C(NCC(F)(F)c1ccc(F)cc1)NOC1CCCC1	ZINC000852239980	DG	On-Demand	Anodyne	EPHX2	15	40
COC[C@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccc(F)c(F)c1	ZINC000852240002	FD	On-Demand	Anodyne	UTS2	43	32
COC[C@@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccc(F)c(F)c1	ZINC000852240003	FD	On-Demand	Anodyne	UTS2	43	32
COCCn1cc([C@@H]2OCC[C@H]2NCc2cc(=O)oc3cc(O)ccc23)cn1	ZINC000852240016	GD	On-Demand	Anodyne	HSD17B3	25	41
COc1cccc([C@]2(C)CCN(C(=O)NOC3CCCC3)C2)c1	ZINC000852240047	DG	On-Demand	Anodyne	DRD4	40	31
COc1cccc([C@]2(C)CCN(C(=O)NOC3CCCC3)C2)c1	ZINC000852240047	DG	On-Demand	Anodyne	OPRK1	15	43
CC(C)(C)OC(=O)CCCCNC(=O)N[C@@H]1C=CCC1	ZINC000852240125	CF	On-Demand	Anodyne	EPHX2	16	51
CC(C)(C)OC(=O)CCCCNC(=O)N[C@H]1C=CCC1	ZINC000852240127	CF	On-Demand	Anodyne	EPHX2	16	51
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	SLC6A4	17	42
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	OPRK1	23	41
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	SLC6A3	22	41
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	P2RX7	21	45
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	CCR3	24	42
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	SSTR3	24	46
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	EPHX2	15	54
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	TPSAB1	16	40
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCCC1	ZINC000852240135	DH	On-Demand	Anodyne	DNAE	78	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NOC1CCCC1	ZINC000852240144	EE	On-Demand	Clean	TPSAB1	18	43
COCCn1cc([C@@H]2OCC[C@H]2NC[C@@H](O)c2cccc(Cl)c2)cn1	ZINC000852240171	FE	On-Demand	Anodyne	IGF1R	30	44
COCCn1cc([C@@H]2OCC[C@H]2NC[C@@H](O)c2cccc(Cl)c2)cn1	ZINC000852240171	FE	On-Demand	Anodyne	CYP3A4	48	38
COCCn1cc([C@@H]2OCC[C@H]2NC[C@H](O)c2cccc(Cl)c2)cn1	ZINC000852240172	FE	On-Demand	Anodyne	IGF1R	30	44
COCCn1cc([C@@H]2OCC[C@H]2NC[C@H](O)c2cccc(Cl)c2)cn1	ZINC000852240172	FE	On-Demand	Anodyne	CYP3A4	48	38
Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@H]2C(=O)OC(C)(C)C)c1	ZINC000852240215	GC	On-Demand	Reactive	KCNK3	46	33
Cc1cccc(C(=O)NNC(=O)CN2CCOC[C@@H]2C(=O)OC(C)(C)C)c1	ZINC000852240216	GC	On-Demand	Reactive	KCNK3	46	33
COc1ccc(N2CC[C@H](NC(=O)NOC3CCCC3)C2)cc1	ZINC000852240314	DE	On-Demand	Clean	HRH4	33	41
CC(C)(C)N1CC[C@@H](NC(=O)NOC2CCCC2)C1	ZINC000852240430	CE	On-Demand	Anodyne	EPHX2	22	41
CC(C)(C)N1CC[C@H](NC(=O)NOC2CCCC2)C1	ZINC000852240431	CE	On-Demand	Anodyne	EPHX2	22	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NOC1CCCC1	ZINC000852240450	CG	On-Demand	Anodyne	CCR3	51	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)NOC1CCCC1	ZINC000852240451	CG	On-Demand	Anodyne	CCR3	51	34
O=C(NCCc1ccnc2ccccc12)NOC1CCCC1	ZINC000852240466	CF	On-Demand	Anodyne	PREP	15	41
O=C(NCCc1ccnc2ccccc12)NOC1CCCC1	ZINC000852240466	CF	On-Demand	Anodyne	MTNR1A	28	43
O=C(NCCc1ccnc2ccccc12)NOC1CCCC1	ZINC000852240466	CF	On-Demand	Anodyne	MTNR1B	19	43
O=C(NCc1cccnc1N1CCCC1)NOC1CCCC1	ZINC000852240499	DE	On-Demand	Anodyne	TRPV1	17	43
O=C(NCc1cccnc1N1CCCC1)NOC1CCCC1	ZINC000852240499	DE	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NOC1CCCC1	ZINC000852240499	DE	On-Demand	Anodyne	SCN10A	20	45
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCCC2)O1	ZINC000852240660	FF	On-Demand	Anodyne	ADRA1D	24	45
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCCC2)O1	ZINC000852240660	FF	On-Demand	Anodyne	ADRA1A	17	50
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCCC2)O1	ZINC000852240660	FF	On-Demand	Anodyne	ADRA1B	24	50
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCCC2)O1	ZINC000852240661	FF	On-Demand	Anodyne	ADRA1D	24	45
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCCC2)O1	ZINC000852240661	FF	On-Demand	Anodyne	ADRA1A	17	50
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCCC2)O1	ZINC000852240661	FF	On-Demand	Anodyne	ADRA1B	24	50
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NOC1CCCC1)CCC2	ZINC000852240697	EG	On-Demand	Anodyne	NQO2	21	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NOC1CCCC1)CCC2	ZINC000852240698	EG	On-Demand	Anodyne	NQO2	21	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3COC4(CCCCC4)O3)C2)cc1	ZINC000852240716	GF	On-Demand	Clean	MTNR1A	16	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3COC4(CCCCC4)O3)C2)cc1	ZINC000852240717	GF	On-Demand	Clean	MTNR1A	16	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCC1	ZINC000852240745	EE	On-Demand	Anodyne	ACHE	34	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCC1	ZINC000852240745	EE	On-Demand	Anodyne	HTR4	52	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCC1	ZINC000852240745	EE	On-Demand	Anodyne	GRIN2B	19	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCC1	ZINC000852240745	EE	On-Demand	Anodyne	HRH3	19	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCC1	ZINC000852240745	EE	On-Demand	Anodyne	SIGMAR1	29	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCC1	ZINC000852240745	EE	On-Demand	Anodyne	SSTR5	40	33
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCC1	ZINC000852240745	EE	On-Demand	Anodyne	CCR3	32	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCC1	ZINC000852240745	EE	On-Demand	Anodyne	CACNA1I	64	43
N#Cc1ccc(CCNC(=O)NOC2CCCC2)cc1	ZINC000852240947	CE	On-Demand	Mild	CTSK	22	42
N#Cc1ccc(CCNC(=O)NOC2CCCC2)cc1	ZINC000852240947	CE	On-Demand	Mild	GPBAR1	31	40
C[C@@H]1CCN(C(=O)NCc2ccc(Cl)cn2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852241082	GE	On-Demand	Anodyne	EPHX2	15	40
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOC1CCCC1	ZINC000852241124	EG	On-Demand	Anodyne	DRD2	17	42
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOC1CCCC1	ZINC000852241124	EG	On-Demand	Anodyne	DRD3	30	41
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOC1CCCC1	ZINC000852241124	EG	On-Demand	Anodyne	CACNA1I	56	34
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOC1CCCC1	ZINC000852241125	EG	On-Demand	Anodyne	DRD2	17	42
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOC1CCCC1	ZINC000852241125	EG	On-Demand	Anodyne	DRD3	30	41
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOC1CCCC1	ZINC000852241125	EG	On-Demand	Anodyne	CACNA1I	56	34
COc1cccc(OC)c1CNC(=O)NOC1CCCC1	ZINC000852241190	CE	On-Demand	Anodyne	DRD2	16	41
COc1cccc(OC)c1CNC(=O)NOC1CCCC1	ZINC000852241190	CE	On-Demand	Anodyne	KCNA3	43	37
CO[C@@](C)(CNC(=O)NOC1CCCC1)COCc1ccccc1	ZINC000852241225	EF	On-Demand	Anodyne	AMY2	42	29
CCN(Cc1ccccc1)C(=O)[C@@H](C)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852241257	GF	On-Demand	Anodyne	CCR5	55	33
CCN(Cc1ccccc1)C(=O)[C@H](C)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852241258	GF	On-Demand	Anodyne	CCR5	55	33
COC(=O)N(C)CCNC(=O)NCCOCc1ccc(Cl)cc1Cl	ZINC000852241555	GF	On-Demand	Anodyne	ALPL	20	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(CO)cc3)C2)cc1	ZINC000852241573	FE	On-Demand	Clean	MTNR1A	32	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(CO)cc3)C2)cc1	ZINC000852241573	FE	On-Demand	Clean	MTNR1B	24	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(CO)cc3)C2)cc1	ZINC000852241573	FE	On-Demand	Clean	MCHR1	19	55
CCN(Cc1cccc(F)c1)C(=O)CN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852241722	GE	On-Demand	Anodyne	CCR5	77	36
CCCCCNC(=O)[C@@H](C)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852241724	ED	On-Demand	Anodyne	ASAH1	69	31
CCCCCNC(=O)[C@H](C)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852241725	ED	On-Demand	Anodyne	ASAH1	69	31
CCCCCNC(=O)CN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852241758	DD	On-Demand	Anodyne	ASAH1	63	32
COCCN(CCF)C(=O)NCCOCc1ccc(Cl)cc1Cl	ZINC000852242111	FG	On-Demand	Anodyne	ALPL	20	42
O=C(NCC(=O)N1CCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852242153	FD	On-Demand	Anodyne	ADCY5	17	41
O=C(NCC(=O)N1CCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852242153	FD	On-Demand	Anodyne	PTGDS	31	41
O=C(NCC(=O)N1CCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852242154	FD	On-Demand	Anodyne	ADCY5	17	41
O=C(NCC(=O)N1CCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852242154	FD	On-Demand	Anodyne	PTGDS	31	41
CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852242342	GG	On-Demand	Anodyne	GPR119	27	46
CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852242343	GG	On-Demand	Anodyne	GPR119	27	46
CCOc1ccccc1NC(=O)CN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852242613	FE	On-Demand	Anodyne	HCN1	47	32
CCOc1ccccc1NC(=O)CN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852242613	FE	On-Demand	Anodyne	HCN4	40	31
CCC[C@H](NC(=O)CN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1)c1ccccc1	ZINC000852242626	GF	On-Demand	Anodyne	EDNRB	18	42
CCC[C@@H](NC(=O)CN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1)c1ccccc1	ZINC000852242627	GF	On-Demand	Anodyne	EDNRB	18	42
CCOc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852242914	GF	On-Demand	Anodyne	HCN1	53	34
CCOc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852242914	GF	On-Demand	Anodyne	HCN4	48	34
CCOc1ccccc1NC(=O)[C@H](C)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852242915	GF	On-Demand	Anodyne	HCN1	53	34
CCOc1ccccc1NC(=O)[C@H](C)N1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852242915	GF	On-Demand	Anodyne	HCN4	48	34
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N3CCOCC3)C2)cc1	ZINC000852242935	FC	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N3CCOCC3)C2)cc1	ZINC000852242935	FC	On-Demand	Clean	CTSS	15	40
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N3CCOCC3)C2)cc1	ZINC000852242935	FC	On-Demand	Clean	EPHX2	26	48
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N3CCOCC3)C2)cc1	ZINC000852242935	FC	On-Demand	Clean	PDK1	44	31
O=C(NCC(=O)N1CCOCC1)NNc1ccc(Cl)cn1	ZINC000852243653	DC	On-Demand	Reactive	F10	48	33
CCC(CC)(CNC(=O)NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)cc1	ZINC000852243796	GG	On-Demand	Anodyne	CACNA1G	35	41
CCC(CC)(CNC(=O)NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)cc1	ZINC000852243797	GG	On-Demand	Anodyne	CACNA1G	35	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1COC2(CCOCC2)O1	ZINC000852244051	GD	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1COC2(CCOCC2)O1	ZINC000852244051	GD	On-Demand	Anodyne	SCN10A	22	42
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1COC2(CCOCC2)O1	ZINC000852244052	GD	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1COC2(CCOCC2)O1	ZINC000852244052	GD	On-Demand	Anodyne	SCN10A	22	42
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCOCC2)O1	ZINC000852244292	FD	On-Demand	Anodyne	ADRA1D	19	51
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCOCC2)O1	ZINC000852244292	FD	On-Demand	Anodyne	ADRA1B	19	51
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCOCC2)O1	ZINC000852244293	FD	On-Demand	Anodyne	ADRA1D	19	51
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCOCC2)O1	ZINC000852244293	FD	On-Demand	Anodyne	ADRA1B	19	51
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCCCCC2)O1	ZINC000852244491	FG	On-Demand	Anodyne	ADRA1D	20	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCCCCC2)O1	ZINC000852244491	FG	On-Demand	Anodyne	ADRA1B	20	47
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCCCCC2)O1	ZINC000852244492	FG	On-Demand	Anodyne	ADRA1D	20	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCCCCC2)O1	ZINC000852244492	FG	On-Demand	Anodyne	ADRA1B	20	47
COCCN(CCF)C(=O)N[C@@H]1CCCOc2cc(F)ccc21	ZINC000852244646	EF	On-Demand	Anodyne	ACKR3	43	30
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCOCC2)O1	ZINC000852244661	FD	On-Demand	Anodyne	ADRA1D	17	48
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCOCC2)O1	ZINC000852244661	FD	On-Demand	Anodyne	ADRA1B	17	48
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCOCC2)O1	ZINC000852244662	FD	On-Demand	Anodyne	ADRA1D	17	48
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCOCC2)O1	ZINC000852244662	FD	On-Demand	Anodyne	ADRA1B	17	48
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCCCC2)O1	ZINC000852244765	GF	On-Demand	Anodyne	ADRA1D	24	45
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCCCC2)O1	ZINC000852244765	GF	On-Demand	Anodyne	ADRA1A	17	50
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCCCCC2)O1	ZINC000852244765	GF	On-Demand	Anodyne	ADRA1B	24	50
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCCCC2)O1	ZINC000852244766	GF	On-Demand	Anodyne	ADRA1D	24	45
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCCCC2)O1	ZINC000852244766	GF	On-Demand	Anodyne	ADRA1A	17	50
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCCCCC2)O1	ZINC000852244766	GF	On-Demand	Anodyne	ADRA1B	24	50
CCOc1ccccc1NC(=O)CCN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852245229	GF	On-Demand	Anodyne	HCN1	47	32
CCOc1ccccc1NC(=O)CCN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1	ZINC000852245229	GF	On-Demand	Anodyne	HCN4	40	31
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCC(C)CC2)O1	ZINC000852245482	GF	On-Demand	Anodyne	ADRA1D	21	44
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCC(C)CC2)O1	ZINC000852245482	GF	On-Demand	Anodyne	ADRA1A	15	44
COc1cccc(OC)c1CNC(=O)NC[C@H]1COC2(CCC(C)CC2)O1	ZINC000852245482	GF	On-Demand	Anodyne	ADRA1B	21	44
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCC(C)CC2)O1	ZINC000852245484	GF	On-Demand	Anodyne	ADRA1D	21	44
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCC(C)CC2)O1	ZINC000852245484	GF	On-Demand	Anodyne	ADRA1A	15	44
COc1cccc(OC)c1CNC(=O)NC[C@@H]1COC2(CCC(C)CC2)O1	ZINC000852245484	GF	On-Demand	Anodyne	ADRA1B	21	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1COC2(CCCCCC2)O1	ZINC000852245669	GF	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1COC2(CCCCCC2)O1	ZINC000852245669	GF	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1COC2(CCCCCC2)O1	ZINC000852245670	GF	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1COC2(CCCCCC2)O1	ZINC000852245670	GF	On-Demand	Anodyne	SCN10A	19	44
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCC(C)CC2)O1	ZINC000852245785	FG	On-Demand	Anodyne	ADRA1D	21	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1COC2(CCC(C)CC2)O1	ZINC000852245785	FG	On-Demand	Anodyne	ADRA1B	20	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCC(C)CC2)O1	ZINC000852245786	FG	On-Demand	Anodyne	ADRA1D	21	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1COC2(CCC(C)CC2)O1	ZINC000852245786	FG	On-Demand	Anodyne	ADRA1B	20	41
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000852246430	EE	On-Demand	Anodyne	CACNA1H	44	40
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000852246430	EE	On-Demand	Anodyne	EPHX2	16	42
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000852246431	EE	On-Demand	Anodyne	CACNA1H	44	40
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000852246431	EE	On-Demand	Anodyne	EPHX2	16	42
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000852246471	GG	On-Demand	Anodyne	UTS2R	26	42
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ncccn1	ZINC000852246501	EF	On-Demand	Anodyne	ANPEP	18	45
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ncccn1	ZINC000852246501	EF	On-Demand	Anodyne	TRPV1	16	42
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ncccn1	ZINC000852246501	EF	On-Demand	Anodyne	SCN10A	26	43
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ncccn1	ZINC000852246503	EF	On-Demand	Anodyne	ANPEP	18	45
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ncccn1	ZINC000852246503	EF	On-Demand	Anodyne	TRPV1	16	42
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ncccn1	ZINC000852246503	EF	On-Demand	Anodyne	SCN10A	26	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCC3)C2)cc1	ZINC000852246504	EE	On-Demand	Clean	MTNR1A	20	46
COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCC3)C2)cc1	ZINC000852246504	EE	On-Demand	Clean	MTNR1B	20	46
COC(=O)N(C)CCNC(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852246553	FD	On-Demand	Anodyne	ACHE	34	43
COC(=O)N(C)CCNC(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852246553	FD	On-Demand	Anodyne	SIGMAR1	34	43
COC(=O)N(C)CCNC(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852246554	FD	On-Demand	Anodyne	ACHE	34	43
COC(=O)N(C)CCNC(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852246554	FD	On-Demand	Anodyne	SIGMAR1	34	43
COC(=O)N(C)CCNC(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852246555	FD	On-Demand	Anodyne	ACHE	34	43
COC(=O)N(C)CCNC(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852246555	FD	On-Demand	Anodyne	SIGMAR1	34	43
COC(=O)N(C)CCNC(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852246556	FD	On-Demand	Anodyne	ACHE	34	43
COC(=O)N(C)CCNC(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852246556	FD	On-Demand	Anodyne	SIGMAR1	34	43
O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852246560	GF	On-Demand	Anodyne	ACE	42	37
O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852246561	GF	On-Demand	Anodyne	ACE	42	37
O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852246562	GF	On-Demand	Anodyne	ACE	42	37
O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852246563	GF	On-Demand	Anodyne	ACE	42	37
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852246566	GG	On-Demand	Anodyne	RBP4	62	36
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852246566	GG	On-Demand	Anodyne	CALCRL	48	36
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852246566	GG	On-Demand	Anodyne	SLC16A1	48	34
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852246567	GG	On-Demand	Anodyne	RBP4	62	36
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852246567	GG	On-Demand	Anodyne	CALCRL	48	36
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852246567	GG	On-Demand	Anodyne	SLC16A1	48	34
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000852246861	GF	On-Demand	Anodyne	UTS2R	23	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1	ZINC000852246863	GF	On-Demand	Anodyne	UTS2R	23	40
C=CCNC(=O)CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852247271	ED	On-Demand	Mild	F7	16	47
C=CCNC(=O)CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852247272	ED	On-Demand	Mild	F7	16	47
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247594	GE	On-Demand	Anodyne	SIGMAR1	24	41
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247594	GE	On-Demand	Anodyne	BIRC2	20	40
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247596	GE	On-Demand	Anodyne	SIGMAR1	24	41
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247596	GE	On-Demand	Anodyne	BIRC2	20	40
C[C@@H](NC(=O)NCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247604	FG	On-Demand	Anodyne	ACHE	32	40
C[C@@H](NC(=O)NCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247604	FG	On-Demand	Anodyne	SIGMAR1	38	46
C[C@@H](NC(=O)NCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247604	FG	On-Demand	Anodyne	BIRC2	21	41
C[C@H](NC(=O)NCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247605	FG	On-Demand	Anodyne	ACHE	32	40
C[C@H](NC(=O)NCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247605	FG	On-Demand	Anodyne	SIGMAR1	38	46
C[C@H](NC(=O)NCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247605	FG	On-Demand	Anodyne	BIRC2	21	41
C[C@H](NC(=O)NCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247606	FG	On-Demand	Anodyne	ACHE	32	40
C[C@H](NC(=O)NCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247606	FG	On-Demand	Anodyne	SIGMAR1	38	46
C[C@H](NC(=O)NCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247606	FG	On-Demand	Anodyne	BIRC2	21	41
C[C@@H](NC(=O)NCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247607	FG	On-Demand	Anodyne	ACHE	32	40
C[C@@H](NC(=O)NCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247607	FG	On-Demand	Anodyne	SIGMAR1	38	46
C[C@@H](NC(=O)NCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247607	FG	On-Demand	Anodyne	BIRC2	21	41
C[C@H](NC(=O)NCCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247610	GG	On-Demand	Anodyne	DRD4	34	40
C[C@H](NC(=O)NCCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247610	GG	On-Demand	Anodyne	ACHE	36	48
C[C@H](NC(=O)NCCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247610	GG	On-Demand	Anodyne	SIGMAR1	35	45
C[C@H](NC(=O)NCCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247610	GG	On-Demand	Anodyne	BIRC2	20	40
C[C@@H](NC(=O)NCCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247611	GG	On-Demand	Anodyne	DRD4	34	40
C[C@@H](NC(=O)NCCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247611	GG	On-Demand	Anodyne	ACHE	36	48
C[C@@H](NC(=O)NCCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247611	GG	On-Demand	Anodyne	SIGMAR1	35	45
C[C@@H](NC(=O)NCCC1SCCS1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247611	GG	On-Demand	Anodyne	BIRC2	20	40
C[C@H](NC(=O)NCCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247612	GG	On-Demand	Anodyne	DRD4	34	40
C[C@H](NC(=O)NCCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247612	GG	On-Demand	Anodyne	ACHE	36	48
C[C@H](NC(=O)NCCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247612	GG	On-Demand	Anodyne	SIGMAR1	35	45
C[C@H](NC(=O)NCCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247612	GG	On-Demand	Anodyne	BIRC2	20	40
C[C@@H](NC(=O)NCCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247613	GG	On-Demand	Anodyne	DRD4	34	40
C[C@@H](NC(=O)NCCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247613	GG	On-Demand	Anodyne	ACHE	36	48
C[C@@H](NC(=O)NCCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247613	GG	On-Demand	Anodyne	SIGMAR1	35	45
C[C@@H](NC(=O)NCCC1SCCS1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247613	GG	On-Demand	Anodyne	BIRC2	20	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCCC2)O1	ZINC000852247661	GD	On-Demand	Reactive	SLC12A5	45	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCCC2)O1	ZINC000852247661	GD	On-Demand	Reactive	HCN1	58	35
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCCC2)O1	ZINC000852247661	GD	On-Demand	Reactive	HCN4	49	32
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCCC2)O1	ZINC000852247663	GD	On-Demand	Reactive	SLC12A5	45	36
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCCC2)O1	ZINC000852247663	GD	On-Demand	Reactive	HCN1	58	35
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(Cc3ccccc3)CCCC2)O1	ZINC000852247663	GD	On-Demand	Reactive	HCN4	49	32
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)c(F)c(F)c3)C2)cc1	ZINC000852247679	GG	On-Demand	Clean	MTNR1A	42	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)c(F)c(F)c3)C2)cc1	ZINC000852247679	GG	On-Demand	Clean	MTNR1B	34	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(F)c(F)c(F)c3)C2)cc1	ZINC000852247679	GG	On-Demand	Clean	MCHR1	20	48
CCCCCC(CCCCC)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852247697	FI	On-Demand	Anodyne	LASR	40	35
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(Cc2ccccc2)CCCC1	ZINC000852247703	GG	On-Demand	Anodyne	NPFFR2	18	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(Cc2ccccc2)CCCC1	ZINC000852247703	GG	On-Demand	Anodyne	NPFFR1	23	40
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(Cc2ccccc2)CCCC1	ZINC000852247704	GG	On-Demand	Anodyne	NPFFR2	18	40
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(Cc2ccccc2)CCCC1	ZINC000852247704	GG	On-Demand	Anodyne	NPFFR1	23	40
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247732	GG	On-Demand	Anodyne	SIGMAR1	23	42
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247732	GG	On-Demand	Anodyne	BIRC2	21	40
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247733	GG	On-Demand	Anodyne	SIGMAR1	23	42
C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247733	GG	On-Demand	Anodyne	BIRC2	21	40
O=C(NCc1ncccn1)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247742	EF	On-Demand	Anodyne	ANPEP	38	40
O=C(NCc1ncccn1)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247742	EF	On-Demand	Anodyne	CTRB1	27	41
O=C(NCc1ncccn1)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247742	EF	On-Demand	Anodyne	CELA2A	15	41
O=C(NCc1ncccn1)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247742	EF	On-Demand	Anodyne	LAP3	42	32
O=C(NCc1ncccn1)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247743	EF	On-Demand	Anodyne	ANPEP	38	40
O=C(NCc1ncccn1)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247743	EF	On-Demand	Anodyne	CTRB1	27	41
O=C(NCc1ncccn1)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247743	EF	On-Demand	Anodyne	CELA2A	15	41
O=C(NCc1ncccn1)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247743	EF	On-Demand	Anodyne	LAP3	42	32
COCCN(CCF)C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247756	FF	On-Demand	Anodyne	ACHE	27	40
COCCN(CCF)C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247756	FF	On-Demand	Anodyne	SIGMAR1	36	43
COCCN(CCF)C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247756	FF	On-Demand	Anodyne	MCHR1	19	42
COCCN(CCF)C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247757	FF	On-Demand	Anodyne	ACHE	27	40
COCCN(CCF)C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247757	FF	On-Demand	Anodyne	SIGMAR1	36	43
COCCN(CCF)C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247757	FF	On-Demand	Anodyne	MCHR1	19	42
COCCN(CCF)C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247758	FF	On-Demand	Anodyne	ACHE	27	40
COCCN(CCF)C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247758	FF	On-Demand	Anodyne	SIGMAR1	36	43
COCCN(CCF)C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852247758	FF	On-Demand	Anodyne	MCHR1	19	42
COCCN(CCF)C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247759	FF	On-Demand	Anodyne	ACHE	27	40
COCCN(CCF)C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247759	FF	On-Demand	Anodyne	SIGMAR1	36	43
COCCN(CCF)C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852247759	FF	On-Demand	Anodyne	MCHR1	19	42
COC(=O)N(C)CCNC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247805	FF	On-Demand	Anodyne	MME	44	39
COC(=O)N(C)CCNC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247805	FF	On-Demand	Anodyne	CTRB1	22	41
COC(=O)N(C)CCNC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247805	FF	On-Demand	Anodyne	CELA2A	15	41
COC(=O)N(C)CCNC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247805	FF	On-Demand	Anodyne	NPR	50	31
COC(=O)N(C)CCNC(=O)N[C@H](CCc1ccccc1)C(F)(F)F	ZINC000852247805	FF	On-Demand	Anodyne	POLG_WNV	55	32
COC(=O)N(C)CCNC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247806	FF	On-Demand	Anodyne	MME	44	39
COC(=O)N(C)CCNC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247806	FF	On-Demand	Anodyne	CTRB1	22	41
COC(=O)N(C)CCNC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247806	FF	On-Demand	Anodyne	CELA2A	15	41
COC(=O)N(C)CCNC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247806	FF	On-Demand	Anodyne	NPR	50	31
COC(=O)N(C)CCNC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247806	FF	On-Demand	Anodyne	POLG_WNV	55	32
O=C(NCCNC(=O)c1cc[nH]n1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852247816	GD	On-Demand	Anodyne	ALPL	46	34
O=C(NCCNC(=O)c1cc[nH]n1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852247817	GD	On-Demand	Anodyne	ALPL	46	34
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1	ZINC000852247827	GD	On-Demand	Anodyne	DRD4	40	30
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000852247828	GD	On-Demand	Anodyne	DRD4	40	30
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1	ZINC000852247829	GD	On-Demand	Anodyne	DRD4	40	30
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000852247830	GD	On-Demand	Anodyne	DRD4	40	30
COCCN(CCF)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247836	FG	On-Demand	Anodyne	MME	44	39
COCCN(CCF)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247836	FG	On-Demand	Anodyne	ANPEP	40	31
COCCN(CCF)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247836	FG	On-Demand	Anodyne	CTSG	22	42
COCCN(CCF)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247836	FG	On-Demand	Anodyne	CTRB1	34	42
COCCN(CCF)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F	ZINC000852247836	FG	On-Demand	Anodyne	CELA2A	22	42
COCCN(CCF)C(=O)NCC1(Cc2ccccc2)CCCC1	ZINC000852247876	EG	On-Demand	Anodyne	SLC12A5	56	36
CCCCCC(CCCCC)NC(=O)N1CCc2nccnc2C1	ZINC000852247880	EI	On-Demand	Anodyne	MAPK1	42	33
O=C(CNC(=O)NNc1ccc(Cl)cn1)NCC1CC1	ZINC000852247909	CC	On-Demand	Reactive	F10	46	30
O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852247959	GG	On-Demand	Anodyne	ACE	41	36
O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852247959	GG	On-Demand	Anodyne	CTSS	15	40
O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852247960	GG	On-Demand	Anodyne	ACE	41	36
O=C(N[C@H](CCc1ccccc1)C(F)(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852247960	GG	On-Demand	Anodyne	CTSS	15	40
COC(=O)c1nc(CNC(=O)N[C@H](C)c2ncc(C)o2)ccc1Cl	ZINC000852248002	FE	On-Demand	Anodyne	UL26	48	32
COC(=O)c1nc(CNC(=O)N[C@@H](C)c2ncc(C)o2)ccc1Cl	ZINC000852248004	FE	On-Demand	Anodyne	UL26	48	32
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852248008	FH	On-Demand	Anodyne	EPHX2	17	53
C=CCOCCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852248026	GG	On-Demand	Mild	GPR119	23	40
C=CCOCCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852248027	GG	On-Demand	Mild	GPR119	23	40
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CCCCO3)C2)cc1	ZINC000852248048	EF	On-Demand	Clean	MTNR1A	18	43
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CCCCO3)C2)cc1	ZINC000852248048	EF	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCCCO3)C2)cc1	ZINC000852248050	EF	On-Demand	Clean	MTNR1A	18	43
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCCCO3)C2)cc1	ZINC000852248050	EF	On-Demand	Clean	MTNR1B	15	43
O=C(NCCCCC(=O)OCc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852248063	FF	On-Demand	Anodyne	EPHX2	27	58
O=C(NCCCCC(=O)OCc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852248063	FF	On-Demand	Anodyne	SLC12A5	57	32
O=C(NCCCCC(=O)OCc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852248064	FF	On-Demand	Anodyne	EPHX2	27	58
O=C(NCCCCC(=O)OCc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852248064	FF	On-Demand	Anodyne	SLC12A5	57	32
O=C(CCCCNC(=O)N1CCC(c2ccon2)CC1)OCc1ccccc1	ZINC000852248069	GG	On-Demand	Anodyne	TGM2	22	40
O=C(NCC1(Cc2ccccc2)CCCC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852248121	FG	On-Demand	Anodyne	SMO	19	40
O=C(NCC1(Cc2ccccc2)CCCC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852248122	FG	On-Demand	Anodyne	SMO	19	40
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCC3CC3)C2)cc1	ZINC000852248137	ED	On-Demand	Clean	MTNR1A	18	49
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCC3CC3)C2)cc1	ZINC000852248137	ED	On-Demand	Clean	MTNR1B	17	49
CC(C)(C)N1CC[C@@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248205	GG	On-Demand	Anodyne	FKBP1A	30	40
CC(C)(C)N1CC[C@@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248205	GG	On-Demand	Anodyne	HRH2	19	42
CC(C)(C)N1CC[C@@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248205	GG	On-Demand	Anodyne	CTSB	16	45
CC(C)(C)N1CC[C@@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248205	GG	On-Demand	Anodyne	CTSK	18	45
CC(C)(C)N1CC[C@@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248205	GG	On-Demand	Anodyne	CTSL	22	45
CC(C)(C)N1CC[C@@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248205	GG	On-Demand	Anodyne	SLC6A5	35	40
CC(C)(C)N1CC[C@@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248205	GG	On-Demand	Anodyne	EPHX2	32	53
CC(C)(C)N1CC[C@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248206	GG	On-Demand	Anodyne	FKBP1A	30	40
CC(C)(C)N1CC[C@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248206	GG	On-Demand	Anodyne	HRH2	19	42
CC(C)(C)N1CC[C@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248206	GG	On-Demand	Anodyne	CTSB	16	45
CC(C)(C)N1CC[C@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248206	GG	On-Demand	Anodyne	CTSK	18	45
CC(C)(C)N1CC[C@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248206	GG	On-Demand	Anodyne	CTSL	22	45
CC(C)(C)N1CC[C@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248206	GG	On-Demand	Anodyne	SLC6A5	35	40
CC(C)(C)N1CC[C@H](NC(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248206	GG	On-Demand	Anodyne	EPHX2	32	53
C[C@H]1CCC[C@@H](CNC(=O)NCCCCC(=O)OCc2ccccc2)O1	ZINC000852248254	FG	On-Demand	Anodyne	EPHX2	18	52
O=C(NCCCCC(=O)OCc1ccccc1)NCC1SCCS1	ZINC000852248271	FG	On-Demand	Anodyne	EPHX2	30	65
C[C@H]1c2ccccc2OCCN1C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852248279	GI	On-Demand	Anodyne	NAAA	43	36
COCCN(CCF)C(=O)NCc1ccccc1CN1CC[C@H](O)C1	ZINC000852248308	FD	On-Demand	Anodyne	MCHR1	17	41
COCCN(CCF)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1	ZINC000852248310	FD	On-Demand	Anodyne	MCHR1	17	41
O=C(NCCCCC(=O)OCc1ccccc1)NC1CCC2(CC1)CC2(F)F	ZINC000852248361	GI	On-Demand	Anodyne	EPHX2	31	58
O=C(CCCCNC(=O)N1CCC(c2ccco2)CC1)OCc1ccccc1	ZINC000852248402	GI	On-Demand	Anodyne	PREP	20	40
O=C(CCCCNC(=O)N1CCC(c2ccco2)CC1)OCc1ccccc1	ZINC000852248402	GI	On-Demand	Anodyne	TGM2	24	41
CN(C)S(=O)(=O)c1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852248443	EC	On-Demand	Anodyne	NAMPT	57	41
C=CC[C@@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248483	FH	On-Demand	Mild	PREP	53	45
C=CC[C@@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248483	FH	On-Demand	Mild	REN	46	37
C=CC[C@@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248483	FH	On-Demand	Mild	TGM2	45	46
C=CC[C@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248484	FH	On-Demand	Mild	PREP	53	45
C=CC[C@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248484	FH	On-Demand	Mild	REN	46	37
C=CC[C@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248484	FH	On-Demand	Mild	TGM2	45	46
C#C[C@H](NC(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852248538	FF	On-Demand	Mild	SIGMAR1	29	45
C#C[C@H](NC(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852248538	FF	On-Demand	Mild	BIRC2	18	41
C#C[C@H](NC(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852248540	FF	On-Demand	Mild	SIGMAR1	29	45
C#C[C@H](NC(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852248540	FF	On-Demand	Mild	BIRC2	18	41
C#C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852248542	FF	On-Demand	Mild	SIGMAR1	29	45
C#C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852248542	FF	On-Demand	Mild	BIRC2	18	41
C#C[C@H](NC(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852248544	FF	On-Demand	Mild	SIGMAR1	29	45
C#C[C@H](NC(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852248544	FF	On-Demand	Mild	BIRC2	18	41
O=C(NCC1(Cc2ccccc2)CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852248552	FF	On-Demand	Reactive	HCN1	52	32
O=C(NCC1(Cc2ccccc2)CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852248552	FF	On-Demand	Reactive	HCN4	48	31
O=C(N[C@H]1CCCOc2c(F)cccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852248568	GF	On-Demand	Anodyne	CALCRL	40	38
O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852248570	GF	On-Demand	Anodyne	CALCRL	40	38
O=C(NCCCOCCOCc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852248591	FF	On-Demand	Anodyne	HRH2	17	41
O=C(NCCCOCCOCc1ccccc1)N[C@H]1COC2(CCC2)C1	ZINC000852248591	FF	On-Demand	Anodyne	EPHX2	23	54
O=C(NCCCOCCOCc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852248593	FF	On-Demand	Anodyne	HRH2	17	41
O=C(NCCCOCCOCc1ccccc1)N[C@@H]1COC2(CCC2)C1	ZINC000852248593	FF	On-Demand	Anodyne	EPHX2	23	54
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852248617	GF	On-Demand	Anodyne	RBP4	62	37
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852248617	GF	On-Demand	Anodyne	SLC16A1	42	35
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852248619	GF	On-Demand	Anodyne	RBP4	62	37
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852248619	GF	On-Demand	Anodyne	SLC16A1	42	35
COC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1	ZINC000852248620	GD	On-Demand	Clean	MTNR1A	19	45
COC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1	ZINC000852248620	GD	On-Demand	Clean	MTNR1B	19	45
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852248621	GF	On-Demand	Anodyne	RBP4	62	37
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852248621	GF	On-Demand	Anodyne	SLC16A1	42	35
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852248622	GF	On-Demand	Anodyne	RBP4	62	37
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852248622	GF	On-Demand	Anodyne	SLC16A1	42	35
COC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1	ZINC000852248623	GD	On-Demand	Clean	MTNR1A	19	45
COC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1	ZINC000852248623	GD	On-Demand	Clean	MTNR1B	19	45
O=C(NCCCCC(=O)OCc1ccccc1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852248659	GG	On-Demand	Anodyne	EPHX2	15	52
O=C(NCCCCC(=O)OCc1ccccc1)NCC1=CCCC1	ZINC000852248688	EG	On-Demand	Anodyne	EPHX2	19	57
O=C(CCCCNC(=O)N1CCOc2ccc(O)cc2C1)OCc1ccccc1	ZINC000852248713	GG	On-Demand	Anodyne	TGM2	17	40
O=C(CCCCNC(=O)N1CC[C@H]2C[C@@H]2C1)OCc1ccccc1	ZINC000852248745	EF	On-Demand	Anodyne	GRIN2B	20	41
O=C(CCCCNC(=O)N1CC[C@H]2C[C@@H]2C1)OCc1ccccc1	ZINC000852248745	EF	On-Demand	Anodyne	PREP	40	43
O=C(CCCCNC(=O)N1CC[C@H]2C[C@@H]2C1)OCc1ccccc1	ZINC000852248745	EF	On-Demand	Anodyne	EPHX2	26	53
O=C(CCCCNC(=O)N1CC[C@H]2C[C@@H]2C1)OCc1ccccc1	ZINC000852248745	EF	On-Demand	Anodyne	TGM2	41	42
O=C(CCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1)OCc1ccccc1	ZINC000852248746	EF	On-Demand	Anodyne	GRIN2B	20	41
O=C(CCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1)OCc1ccccc1	ZINC000852248746	EF	On-Demand	Anodyne	PREP	40	43
O=C(CCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1)OCc1ccccc1	ZINC000852248746	EF	On-Demand	Anodyne	EPHX2	26	53
O=C(CCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1)OCc1ccccc1	ZINC000852248746	EF	On-Demand	Anodyne	TGM2	41	42
O=C(CCCCNC(=O)N1CC[C@H]2C[C@H]2C1)OCc1ccccc1	ZINC000852248747	EF	On-Demand	Anodyne	GRIN2B	20	41
O=C(CCCCNC(=O)N1CC[C@H]2C[C@H]2C1)OCc1ccccc1	ZINC000852248747	EF	On-Demand	Anodyne	PREP	40	43
O=C(CCCCNC(=O)N1CC[C@H]2C[C@H]2C1)OCc1ccccc1	ZINC000852248747	EF	On-Demand	Anodyne	EPHX2	26	53
O=C(CCCCNC(=O)N1CC[C@H]2C[C@H]2C1)OCc1ccccc1	ZINC000852248747	EF	On-Demand	Anodyne	TGM2	41	42
O=C(CCCCNC(=O)N1CC[C@@H]2C[C@H]2C1)OCc1ccccc1	ZINC000852248748	EF	On-Demand	Anodyne	GRIN2B	20	41
O=C(CCCCNC(=O)N1CC[C@@H]2C[C@H]2C1)OCc1ccccc1	ZINC000852248748	EF	On-Demand	Anodyne	PREP	40	43
O=C(CCCCNC(=O)N1CC[C@@H]2C[C@H]2C1)OCc1ccccc1	ZINC000852248748	EF	On-Demand	Anodyne	EPHX2	26	53
O=C(CCCCNC(=O)N1CC[C@@H]2C[C@H]2C1)OCc1ccccc1	ZINC000852248748	EF	On-Demand	Anodyne	TGM2	41	42
C#C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852248755	FF	On-Demand	Mild	NPR	42	34
C#C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852248756	FF	On-Demand	Mild	NPR	42	34
C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCC1SCCS1	ZINC000852248785	FH	On-Demand	Anodyne	SLC16A1	45	32
C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCC1SCCS1	ZINC000852248786	FH	On-Demand	Anodyne	SLC16A1	45	32
CCCCCC(CCCCC)NC(=O)N[C@H]1CCNC1=O	ZINC000852248815	CF	On-Demand	Anodyne	LASR	55	37
CCCCCC(CCCCC)NC(=O)N[C@@H]1CCNC1=O	ZINC000852248816	CF	On-Demand	Anodyne	LASR	55	37
O=C(NCC1(Cc2ccccc2)CCCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852248857	GG	On-Demand	Anodyne	SMO	23	42
COC(=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CCOCC1	ZINC000852248894	ED	On-Demand	Reactive	F10	49	33
O=C(CCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1)OCc1ccccc1	ZINC000852248908	EG	On-Demand	Anodyne	PREP	26	42
O=C(CCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1)OCc1ccccc1	ZINC000852248908	EG	On-Demand	Anodyne	EPHX2	32	61
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852248926	FH	On-Demand	Mild	PREP	18	41
O=C(NCCCCC(=O)OCc1ccccc1)N[C@H]1CCNC1=O	ZINC000852248951	ED	On-Demand	Anodyne	EPHX2	20	55
O=C(NCCCCC(=O)OCc1ccccc1)N[C@@H]1CCNC1=O	ZINC000852248952	ED	On-Demand	Anodyne	EPHX2	20	55
Cc1nnc(CN(C)C(=O)NCCCCC(=O)OCc2ccccc2)s1	ZINC000852248958	GF	On-Demand	Anodyne	NPR	55	36
C[C@@]1(C#N)CCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248981	EF	On-Demand	Mild	EPHX2	15	47
C[C@@]1(C#N)CCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852248981	EF	On-Demand	Mild	SLC12A5	71	37
CN(Cc1cnc[nH]1)C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852248988	EE	On-Demand	Anodyne	CYP3A4	16	42
CN(Cc1cnc[nH]1)C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852248988	EE	On-Demand	Anodyne	NPR	43	35
O=C(NCc1ncccn1)NCC1(Cc2ccccc2)CCCC1	ZINC000852249005	DG	On-Demand	Anodyne	NPFFR2	19	42
O=C(NCc1ncccn1)NCC1(Cc2ccccc2)CCCC1	ZINC000852249005	DG	On-Demand	Anodyne	NPFFR1	25	42
O=C(NCCCCC(=O)OCc1ccccc1)N[C@H]1C=CCC1	ZINC000852249065	DF	On-Demand	Anodyne	EPHX2	23	57
O=C(NCCCCC(=O)OCc1ccccc1)N[C@@H]1C=CCC1	ZINC000852249066	DF	On-Demand	Anodyne	EPHX2	23	57
O=C(CCCCNC(=O)N1CC[C@@H]2COC[C@@H]2C1)OCc1ccccc1	ZINC000852249082	FF	On-Demand	Anodyne	PREP	31	42
O=C(CCCCNC(=O)N1CC[C@@H]2COC[C@@H]2C1)OCc1ccccc1	ZINC000852249082	FF	On-Demand	Anodyne	TGM2	36	41
O=C(CCCCNC(=O)N1CC[C@@H]2COC[C@H]2C1)OCc1ccccc1	ZINC000852249083	FF	On-Demand	Anodyne	PREP	31	42
O=C(CCCCNC(=O)N1CC[C@@H]2COC[C@H]2C1)OCc1ccccc1	ZINC000852249083	FF	On-Demand	Anodyne	TGM2	36	41
O=C(CCCCNC(=O)N1CC[C@H]2COC[C@@H]2C1)OCc1ccccc1	ZINC000852249084	FF	On-Demand	Anodyne	PREP	31	42
O=C(CCCCNC(=O)N1CC[C@H]2COC[C@@H]2C1)OCc1ccccc1	ZINC000852249084	FF	On-Demand	Anodyne	TGM2	36	41
O=C(CCCCNC(=O)N1CC[C@H]2COC[C@H]2C1)OCc1ccccc1	ZINC000852249085	FF	On-Demand	Anodyne	PREP	31	42
O=C(CCCCNC(=O)N1CC[C@H]2COC[C@H]2C1)OCc1ccccc1	ZINC000852249085	FF	On-Demand	Anodyne	TGM2	36	41
O=C1CC[C@@H]2CN(C(=O)NCCCCC(=O)OCc3ccccc3)CC[C@@H]2N1	ZINC000852249096	GE	On-Demand	Anodyne	PREP	21	41
O=C1CC[C@@H]2CN(C(=O)NCCCCC(=O)OCc3ccccc3)CC[C@H]2N1	ZINC000852249097	GE	On-Demand	Anodyne	PREP	21	41
O=C1CC[C@H]2CN(C(=O)NCCCCC(=O)OCc3ccccc3)CC[C@@H]2N1	ZINC000852249098	GE	On-Demand	Anodyne	PREP	21	41
O=C1CC[C@H]2CN(C(=O)NCCCCC(=O)OCc3ccccc3)CC[C@H]2N1	ZINC000852249099	GE	On-Demand	Anodyne	PREP	21	41
O=C(NCc1ccccc1CN1CC[C@H](O)C1)NNc1ccc(Cl)cn1	ZINC000852249142	GE	On-Demand	Reactive	F10	27	41
O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NNc1ccc(Cl)cn1	ZINC000852249143	GE	On-Demand	Reactive	F10	27	41
O=C(NCCCOCCOCc1ccccc1)N[C@H]1C=CCC1	ZINC000852249144	DF	On-Demand	Anodyne	EPHX2	15	53
O=C(NCCCOCCOCc1ccccc1)N[C@@H]1C=CCC1	ZINC000852249145	DF	On-Demand	Anodyne	EPHX2	15	53
CN(CC1=CCSC1)C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852249182	FG	On-Demand	Anodyne	NPR	43	35
O=C(CCCCNC(=O)N1CC[C@H](N2CCOC2=O)C1)OCc1ccccc1	ZINC000852249211	GE	On-Demand	Anodyne	PREP	17	40
O=C(CCCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1)OCc1ccccc1	ZINC000852249212	GE	On-Demand	Anodyne	PREP	17	40
CN(Cc1cn(C)nn1)C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852249223	FD	On-Demand	Anodyne	NPR	53	38
CN(C[C@@H]1CC1(C)C)C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852249224	EH	On-Demand	Anodyne	EPHX2	18	56
CN(C[C@@H]1CC1(C)C)C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852249224	EH	On-Demand	Anodyne	NPR	50	37
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249238	FF	On-Demand	Anodyne	CYSP_TRYCR	47	35
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249238	FF	On-Demand	Anodyne	CAPNS1	50	31
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249238	FF	On-Demand	Anodyne	CAPN1	54	38
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249238	FF	On-Demand	Anodyne	CAPN2	94	38
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249238	FF	On-Demand	Anodyne	NPR	61	36
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249239	FF	On-Demand	Anodyne	CYSP_TRYCR	47	35
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249239	FF	On-Demand	Anodyne	CAPNS1	50	31
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249239	FF	On-Demand	Anodyne	CAPN1	54	38
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249239	FF	On-Demand	Anodyne	CAPN2	94	38
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1nccn1C	ZINC000852249239	FF	On-Demand	Anodyne	NPR	61	36
O=C(NCCCCC(=O)OCc1ccccc1)NCc1ncccn1	ZINC000852249253	EE	On-Demand	Anodyne	CAPN2	45	35
O=C(NCCCCC(=O)OCc1ccccc1)NCc1ncccn1	ZINC000852249253	EE	On-Demand	Anodyne	EPHX2	19	58
O=C(CCCCNC(=O)N1CCC[C@@H](CCF)C1)OCc1ccccc1	ZINC000852249255	FH	On-Demand	Anodyne	ACE	17	40
O=C(CCCCNC(=O)N1CCC[C@@H](CCF)C1)OCc1ccccc1	ZINC000852249255	FH	On-Demand	Anodyne	PREP	60	44
O=C(CCCCNC(=O)N1CCC[C@@H](CCF)C1)OCc1ccccc1	ZINC000852249255	FH	On-Demand	Anodyne	TGM2	32	42
O=C(CCCCNC(=O)N1CCC[C@H](CCF)C1)OCc1ccccc1	ZINC000852249256	FH	On-Demand	Anodyne	ACE	17	40
O=C(CCCCNC(=O)N1CCC[C@H](CCF)C1)OCc1ccccc1	ZINC000852249256	FH	On-Demand	Anodyne	PREP	60	44
O=C(CCCCNC(=O)N1CCC[C@H](CCF)C1)OCc1ccccc1	ZINC000852249256	FH	On-Demand	Anodyne	TGM2	32	42
N#CC1(CNC(=O)NCCCCC(=O)OCc2ccccc2)CCCCC1	ZINC000852249280	FH	On-Demand	Mild	EPHX2	17	55
N#CC1(CNC(=O)NCCCCC(=O)OCc2ccccc2)CCCCC1	ZINC000852249280	FH	On-Demand	Mild	SLC12A5	42	33
O=C(CCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852249289	GI	On-Demand	Anodyne	ADRA1A	41	34
O=C(CCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852249289	GI	On-Demand	Anodyne	CCR3	19	42
O=C(CCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852249289	GI	On-Demand	Anodyne	PREP	34	42
O=C(CCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852249290	GI	On-Demand	Anodyne	ADRA1A	41	34
O=C(CCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852249290	GI	On-Demand	Anodyne	CCR3	19	42
O=C(CCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852249290	GI	On-Demand	Anodyne	PREP	34	42
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249303	FG	On-Demand	Anodyne	BMP1	18	41
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249303	FG	On-Demand	Anodyne	PAPA1_CARPA	42	34
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249303	FG	On-Demand	Anodyne	CAPNS1	55	32
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249303	FG	On-Demand	Anodyne	CAPN1	61	39
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249303	FG	On-Demand	Anodyne	CAPN2	100	39
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249303	FG	On-Demand	Anodyne	EPHX2	15	51
C[C@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249303	FG	On-Demand	Anodyne	NPR	67	37
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249304	FG	On-Demand	Anodyne	BMP1	18	41
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249304	FG	On-Demand	Anodyne	PAPA1_CARPA	42	34
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249304	FG	On-Demand	Anodyne	CAPNS1	55	32
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249304	FG	On-Demand	Anodyne	CAPN1	61	39
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249304	FG	On-Demand	Anodyne	CAPN2	100	39
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249304	FG	On-Demand	Anodyne	EPHX2	15	51
C[C@@H](NC(=O)NCCCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852249304	FG	On-Demand	Anodyne	NPR	67	37
CN(C[C@@H]1COCCO1)C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852249318	FD	On-Demand	Anodyne	NPR	47	36
C[C@H]1C[C@H](NC(=O)NCCCCC(=O)OCc2ccccc2)c2ncnn21	ZINC000852249321	FE	On-Demand	Anodyne	EPHX2	19	52
C[C@@]1(CNC(=O)NCCCCC(=O)OCc2ccccc2)CC1(F)F	ZINC000852249336	FG	On-Demand	Anodyne	EPHX2	22	58
C[C@@]1(CNC(=O)NCCCCC(=O)OCc2ccccc2)CC1(F)F	ZINC000852249336	FG	On-Demand	Anodyne	NPR	41	36
N#CC[C@@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852249361	FG	On-Demand	Mild	CTSK	16	41
N#CC[C@@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852249361	FG	On-Demand	Mild	CTSL	17	41
N#CC[C@@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852249361	FG	On-Demand	Mild	PREP	51	44
N#CC[C@@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852249361	FG	On-Demand	Mild	TGM2	27	41
N#CC[C@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852249362	FG	On-Demand	Mild	CTSK	16	41
N#CC[C@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852249362	FG	On-Demand	Mild	CTSL	17	41
N#CC[C@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852249362	FG	On-Demand	Mild	PREP	51	44
N#CC[C@H]1CCCN(C(=O)NCCCCC(=O)OCc2ccccc2)C1	ZINC000852249362	FG	On-Demand	Mild	TGM2	27	41
O=C(CCCCNC(=O)N1CC2CC1(c1ccccc1)C2)OCc1ccccc1	ZINC000852249363	GI	On-Demand	Anodyne	EPHX2	21	59
CN(CC1=CCCOC1)C(=O)NCCCCC(=O)OCc1ccccc1	ZINC000852249366	FF	On-Demand	Anodyne	NPR	57	36
O=C(NCc1ccc(N2CCOC2=O)cc1)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852249374	GF	On-Demand	Anodyne	CCR3	42	35
O=C(NCc1ccc(N2CCOC2=O)cc1)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852249375	GF	On-Demand	Anodyne	CCR3	42	35
O=C(NCc1ccc(N2CCOC2=O)cc1)N1CCN([C@H]2CCOC2)CC1	ZINC000852249495	FD	On-Demand	Anodyne	NAMPT	17	42
O=C(NCc1ccc(N2CCOC2=O)cc1)N1CCN([C@@H]2CCOC2)CC1	ZINC000852249496	FD	On-Demand	Anodyne	NAMPT	17	42
Cc1nnc(CN(C)C(=O)NCc2ccc(N3CCOC3=O)cc2)s1	ZINC000852249512	FE	On-Demand	Anodyne	UL54	46	30
C=CCS(=O)(=O)CCNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852249518	GE	On-Demand	Mild	MDM2	58	32
C=CCS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852249554	ED	On-Demand	Mild	DRD4	41	32
C=CCS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852249554	ED	On-Demand	Mild	DRD5	15	41
C=CCS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852249554	ED	On-Demand	Mild	MTNR1A	44	40
C=CCS(=O)(=O)CCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852249554	ED	On-Demand	Mild	MTNR1B	34	40
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852249567	FD	On-Demand	Mild	MTNR1A	15	43
C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852249567	FD	On-Demand	Mild	TGM2	15	42
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852249568	FD	On-Demand	Mild	MTNR1A	15	43
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852249568	FD	On-Demand	Mild	TGM2	15	42
C=CCS(=O)(=O)CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852249571	GE	On-Demand	Mild	TRPM8	18	48
O=C1OCCN1c1ccc(CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1	ZINC000852249589	FG	On-Demand	Anodyne	NPSR1	25	42
O=C1OCCN1c1ccc(CNC(=O)N2CC[C@H]2c2ccc(F)cc2)cc1	ZINC000852249590	FG	On-Demand	Anodyne	NPSR1	25	42
C=CCS(=O)(=O)CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852249609	ED	On-Demand	Mild	MTNR1A	21	42
C=CCS(=O)(=O)CCNC(=O)NCC(CC)(CC)c1ccc(F)cc1	ZINC000852249630	FF	On-Demand	Mild	CACNA1G	35	41
C=CCS(=O)(=O)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852249643	FD	On-Demand	Mild	SCN2A	18	44
C=CCS(=O)(=O)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852249643	FD	On-Demand	Mild	SCN10A	19	44
O=C1OCCN1c1ccc(CNC(=O)N2CC3CC2(c2ccccc2)C3)cc1	ZINC000852249712	GG	On-Demand	Anodyne	NPSR1	29	45
C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852249773	GD	On-Demand	Mild	NQO2	21	40
C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852249774	GD	On-Demand	Mild	NQO2	21	40
O=C(NCc1ccc(N2CCOC2=O)cc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852249828	GG	On-Demand	Anodyne	EPHX2	19	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N3CCOC3=O)cc2)C1	ZINC000852249858	GG	On-Demand	Anodyne	NPSR1	27	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N3CCOC3=O)cc2)C1	ZINC000852249859	GG	On-Demand	Anodyne	NPSR1	27	41
C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852249864	FD	On-Demand	Mild	SFRP1	47	35
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852249865	FD	On-Demand	Mild	SFRP1	47	35
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCOC2=O)cc1	ZINC000852249870	FE	On-Demand	Anodyne	NAMPT	42	35
O=C(NCc1ccc(N2CCOC2=O)cc1)NCc1ncccn1	ZINC000852249890	ED	On-Demand	Anodyne	DGAT1	29	40
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	DRD4	28	52
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	ACHE	17	43
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	SIGMAR1	28	52
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	SSTR5	46	38
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	CCR3	19	41
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	EPHX2	18	46
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	CXCR3	25	53
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	MCHR1	40	44
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@H]1C=CCC1	ZINC000852249892	FH	On-Demand	Anodyne	CACNA1I	47	39
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	DRD4	28	52
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	ACHE	17	43
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	SIGMAR1	28	52
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	SSTR5	46	38
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	CCR3	19	41
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	EPHX2	18	46
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	CXCR3	25	53
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	MCHR1	40	44
O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)N[C@@H]1C=CCC1	ZINC000852249893	FH	On-Demand	Anodyne	CACNA1I	47	39
C=CCS(=O)(=O)CCNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852249906	ED	On-Demand	Mild	NQO2	22	43
C=CCS(=O)(=O)CCNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852249906	ED	On-Demand	Mild	MTNR1A	18	43
O=C(NCc1ccc(N2CCOC2=O)cc1)N1CCc2nccnc2C1	ZINC000852249927	FD	On-Demand	Anodyne	NAMPT	22	40
O=C(NCc1ccc(N2CCOC2=O)cc1)NCc1cccnc1N1CCCC1	ZINC000852249942	GF	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1ccc(N2CCOC2=O)cc1)NCc1cccnc1N1CCCC1	ZINC000852249942	GF	On-Demand	Anodyne	SCN10A	19	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCCCC#N)C2)CC1	ZINC000852250017	GG	On-Demand	Mild	GPR119	28	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCCCC#N)C2)CC1	ZINC000852250018	GG	On-Demand	Mild	GPR119	28	42
O=C(NCCCc1nc(-c2ccc(F)cc2)no1)NCC1SCCS1	ZINC000852250063	GF	On-Demand	Anodyne	SPHK1	33	40
C=CCS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852250066	GD	On-Demand	Mild	ACHE	20	45
C=CCS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852250066	GD	On-Demand	Mild	SIGMAR1	18	41
C=CCS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852250066	GD	On-Demand	Mild	CACNA1I	51	38
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852250125	FC	On-Demand	Mild	PYGL	34	45
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852250125	FC	On-Demand	Mild	PYGM	29	45
C=CCS(=O)(=O)CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852250126	FC	On-Demand	Mild	PYGL	34	45
C=CCS(=O)(=O)CCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852250126	FC	On-Demand	Mild	PYGM	29	45
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852250132	FE	On-Demand	Mild	ACKR3	44	31
C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852250133	FE	On-Demand	Mild	ACKR3	44	31
O=C(CON=Cc1ccccc1Br)Nc1cccc(C(F)(F)F)c1	ZINC000852250153	HI	On-Demand	Mild	KCNK3	25	43
O=C(NCc1ccc(N2CCOC2=O)cc1)NCc1cnccc1C(F)(F)F	ZINC000852250158	GG	On-Demand	Anodyne	NAMPT	40	35
C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852250191	GD	On-Demand	Mild	SSTR3	30	43
C=CCS(=O)(=O)CCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852250200	FD	On-Demand	Mild	DRD4	42	32
C=CCS(=O)(=O)CCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852250201	FD	On-Demand	Mild	DRD4	42	32
O=C(CON=Cc1ccccc1Br)Nc1ccc(N2CCOCC2)cc1	ZINC000852250233	HG	On-Demand	Mild	STAT6	40	34
COc1ccc([C@@H]2CCCN2C(=O)NCCCCCCSC)cc1F	ZINC000852250269	FJ	On-Demand	Anodyne	ADRA1A	41	38
COc1ccc([C@@H]2CCCN2C(=O)NCCCCCCSC)cc1F	ZINC000852250269	FJ	On-Demand	Anodyne	ASAH1	47	33
COc1cc(Br)ccc1CCCNC(=O)NCc1ncccn1	ZINC000852250283	GF	On-Demand	Anodyne	MTNR1A	34	41
COc1cc(Br)ccc1CCCNC(=O)NCc1ncccn1	ZINC000852250283	GF	On-Demand	Anodyne	MTNR1B	34	42
O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N[C@H]1C=CCC1	ZINC000852250294	EF	On-Demand	Anodyne	SPHK1	33	41
O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N[C@@H]1C=CCC1	ZINC000852250295	EF	On-Demand	Anodyne	SPHK1	33	41
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21	ZINC000852250325	EG	On-Demand	Anodyne	DRD4	19	43
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21	ZINC000852250326	EG	On-Demand	Anodyne	DRD4	19	43
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21	ZINC000852250327	EG	On-Demand	Anodyne	DRD4	19	43
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21	ZINC000852250328	EG	On-Demand	Anodyne	DRD4	19	43
O=C(CON=Cc1ccccc1Br)Nc1ccc(OC(F)(F)F)cc1	ZINC000852250360	HI	On-Demand	Mild	P2RY1	51	38
O=C(CON=Cc1ccccc1Br)Nc1ccc(OC(F)(F)F)cc1	ZINC000852250360	HI	On-Demand	Mild	EPHX2	44	37
O=C(NCCCc1nc(-c2ccc(F)cc2)no1)NCCC1SCCS1	ZINC000852250455	GG	On-Demand	Anodyne	SPHK1	34	40
COc1ccc(N2CC[C@H](NC(=O)NCCCC#N)C2)cc1	ZINC000852250459	DD	On-Demand	Mild	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCCCSC)C2)cc1	ZINC000852250573	FG	On-Demand	Clean	MTNR1A	15	45
C#C[C@H](NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1)C1CCOCC1	ZINC000852250607	GF	On-Demand	Mild	SPHK1	32	41
COCCN(CCF)C(=O)NCC1(c2ccc(OC)cc2)CCC1	ZINC000852250618	EF	On-Demand	Anodyne	KCNA3	43	35
C#C[C@@H](NC(=O)NCCCc1nc(-c2ccc(F)cc2)no1)C1CCOCC1	ZINC000852250661	GF	On-Demand	Mild	SPHK1	32	41
C#CCOCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852250664	EE	On-Demand	Mild	TRPM8	28	49
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCCCC#N)C1	ZINC000852250672	GG	On-Demand	Mild	GPR119	28	42
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	DRD4	34	54
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	ACHE	17	40
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	SIGMAR1	27	51
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	SSTR5	73	43
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	CCR3	27	44
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	EPHX2	17	46
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	CXCR3	50	44
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	MCHR1	53	48
O=C(NCc1ncccn1)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000852250688	GG	On-Demand	Anodyne	CACNA1I	54	41
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC[C@H]2CCOC2)O1	ZINC000852250699	GD	On-Demand	Reactive	ACHE	21	44
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC[C@@H]2CCOC2)O1	ZINC000852250701	GD	On-Demand	Reactive	ACHE	21	44
Cc1ccc(NC(=O)CON=Cc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1	ZINC000852250722	JF	On-Demand	Mild	LPL	45	41
Cc1ccc(NC(=O)CON=Cc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1	ZINC000852250722	JF	On-Demand	Mild	CNR2	15	54
Cc1ccc(NC(=O)CON=Cc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1	ZINC000852250722	JF	On-Demand	Mild	NR1H4	20	45
Cc1ccc(NC(=O)CON=Cc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1	ZINC000852250722	JF	On-Demand	Mild	LIPG	18	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)c(F)c3F)C2)cc1	ZINC000852250761	GG	On-Demand	Clean	MTNR1A	31	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)c(F)c3F)C2)cc1	ZINC000852250761	GG	On-Demand	Clean	MTNR1B	18	43
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCOC3)C2)cc1	ZINC000852250826	ED	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CCOC3)C2)cc1	ZINC000852250827	ED	On-Demand	Clean	MTNR1A	15	45
C#CCOCCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852250865	EE	On-Demand	Mild	KCNH2	40	38
C#CCOCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852250876	DE	On-Demand	Mild	DRD4	43	33
C#CCOCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852250877	DE	On-Demand	Mild	DRD4	43	33
C#CCOCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852250892	ED	On-Demand	Mild	SSTR3	30	43
COC(=O)C1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCCC1	ZINC000852251032	EB	On-Demand	Reactive	HCN1	61	38
COC(=O)C1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCCC1	ZINC000852251032	EB	On-Demand	Reactive	HCN4	52	35
COC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCCC1	ZINC000852251100	GF	On-Demand	Clean	MTNR1A	17	45
COC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCCC1	ZINC000852251100	GF	On-Demand	Clean	MTNR1B	19	45
COC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCCC1	ZINC000852251101	GF	On-Demand	Clean	MTNR1A	17	45
COC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCCC1	ZINC000852251101	GF	On-Demand	Clean	MTNR1B	19	45
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCc2ccc(F)c(F)c2F)O1	ZINC000852251124	FC	On-Demand	Reactive	P2RX7	19	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCc2ccc(F)c(F)c2F)O1	ZINC000852251129	FC	On-Demand	Reactive	P2RX7	19	41
O=C(CON=Cc1ccccc1Br)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852251131	JE	On-Demand	Mild	LPL	43	40
O=C(CON=Cc1ccccc1Br)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852251131	JE	On-Demand	Mild	TGM2	69	39
O=C(CON=Cc1ccccc1Br)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852251131	JE	On-Demand	Mild	F13A1	93	40
O=C(CON=Cc1ccccc1Br)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852251131	JE	On-Demand	Mild	LIPG	17	40
O=C(CON=Cc1ccccc1Br)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852251131	JE	On-Demand	Mild	NAMPT	25	43
O=C(CON=Cc1ccccc1Br)NCc1ccc(Cl)cc1	ZINC000852251158	GH	On-Demand	Mild	UL54	42	31
O=C(CON=Cc1ccccc1Br)NCc1ccc(Cl)cc1	ZINC000852251158	GH	On-Demand	Mild	AMP1_PLAFQ	20	41
C#CCOCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852251177	DD	On-Demand	Mild	SIGMAR1	18	40
CC[C@@H](NC(=O)NCCCCCCSC)C1CC1	ZINC000852251178	CG	On-Demand	Anodyne	EPHX2	15	40
C#CCOCCNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852251179	DD	On-Demand	Mild	SIGMAR1	18	40
COC(=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CCCCC1	ZINC000852251226	EE	On-Demand	Reactive	F10	47	31
Cc1csc([C@H](C)CNC(=O)NNc2ccc(Cl)cn2)n1	ZINC000852251252	EF	On-Demand	Reactive	F10	41	31
C[C@@H]1Cc2ccccc2N1C(=O)CON=Cc1ccccc1Br	ZINC000852251255	FH	On-Demand	Mild	DRD4	24	43
C[C@@H]1Cc2ccccc2N1C(=O)CON=Cc1ccccc1Br	ZINC000852251255	FH	On-Demand	Mild	TPP2	47	33
O=C(CON=Cc1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852251328	JE	On-Demand	Mild	LPL	20	40
O=C(CON=Cc1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852251328	JE	On-Demand	Mild	TGM2	31	43
O=C(CON=Cc1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852251328	JE	On-Demand	Mild	F13A1	52	43
C#CCOCCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852251335	DE	On-Demand	Mild	DNAE	52	32
COC(=O)C1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCCC1	ZINC000852251346	FD	On-Demand	Reactive	HCN1	54	35
COC(=O)C1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCCC1	ZINC000852251346	FD	On-Demand	Reactive	HCN4	52	35
C#CCOCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852251364	ED	On-Demand	Mild	ACHE	25	46
C#CCOCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852251364	ED	On-Demand	Mild	SIGMAR1	22	43
C#CCOCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852251364	ED	On-Demand	Mild	CACNA1I	59	39
COC(=O)N(C)CCNC(=O)NCC1(c2ccc(OC)cc2)CCC1	ZINC000852251405	EE	On-Demand	Anodyne	KCNA3	43	36
COC(=O)N(C)CCNC(=O)NCC1(c2ccc(OC)cc2)CCC1	ZINC000852251405	EE	On-Demand	Anodyne	MTNR1A	20	40
CCO[C@@H]1C[C@@H](NC(=O)NCCCCCCSC)C1	ZINC000852251477	CF	On-Demand	Anodyne	EPHX2	24	46
C#CCOCCNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852251570	CD	On-Demand	Mild	MTNR1A	16	43
O=C(CON=Cc1ccccc1Br)NC12CC3CC(CC(C3)C1)C2	ZINC000852251682	GH	On-Demand	Mild	CNR2	18	41
O=C(CON=Cc1ccccc1Br)NC12CC3CC(CC(C3)C1)C2	ZINC000852251682	GH	On-Demand	Mild	EPHX2	74	44
C#CCOCCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852251732	GF	On-Demand	Mild	GPR119	24	40
C#CCOCCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852251734	GF	On-Demand	Mild	GPR119	24	40
C#CCOCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852251829	DC	On-Demand	Mild	PYGL	35	49
C#CCOCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852251829	DC	On-Demand	Mild	PYGM	32	49
C#CCOCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852251830	DC	On-Demand	Mild	PYGL	35	49
C#CCOCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852251830	DC	On-Demand	Mild	PYGM	32	49
C#CCOCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852251857	CD	On-Demand	Mild	MTNR1A	24	42
C#CCOCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852251880	DD	On-Demand	Mild	SCN2A	18	43
C#CCOCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852251880	DD	On-Demand	Mild	SCN10A	19	43
C#CCOCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852251905	CD	On-Demand	Mild	DRD4	43	33
C#CCOCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852251905	CD	On-Demand	Mild	DRD5	15	41
C#CCOCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852251905	CD	On-Demand	Mild	MTNR1A	34	40
C#CCOCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852251905	CD	On-Demand	Mild	MTNR1B	32	40
COc1ccc(N2CC[C@H](NC(=O)NCCC3(C)OCCO3)C2)cc1	ZINC000852252089	ED	On-Demand	Clean	MTNR1A	17	44
C[C@@H](CNC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)c1ccccc1	ZINC000852252171	GI	On-Demand	Anodyne	NPY2R	41	35
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@]12CCCO2	ZINC000852252188	FD	On-Demand	Anodyne	HCN1	50	31
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@]12CCCO2	ZINC000852252188	FD	On-Demand	Anodyne	HCN4	48	31
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@@]12CCCO2	ZINC000852252190	FD	On-Demand	Anodyne	HCN1	50	31
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)c2ccccc2OC)[C@@]12CCCO2	ZINC000852252190	FD	On-Demand	Anodyne	HCN4	48	31
C=CCOCCCNC(=O)NC1CC(OC)C1	ZINC000852252228	BD	On-Demand	Mild	EPHX2	21	50
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(F)cc1	ZINC000852252248	EF	On-Demand	Anodyne	HRH1	15	41
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(F)cc1	ZINC000852252248	EF	On-Demand	Anodyne	SLC6A3	15	42
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(F)cc1	ZINC000852252248	EF	On-Demand	Anodyne	GRIN2B	30	44
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(F)cc1	ZINC000852252248	EF	On-Demand	Anodyne	SIGMAR1	26	51
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(F)cc1	ZINC000852252248	EF	On-Demand	Anodyne	CCR3	105	44
O=C(NCC1CCN(CC2CC2)CC1)NOCc1ccc(F)cc1	ZINC000852252248	EF	On-Demand	Anodyne	CACNA1I	62	43
C[C@@H](CNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852252285	EE	On-Demand	Anodyne	BIRC8	47	34
C[C@H](CNC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852252287	EE	On-Demand	Anodyne	BIRC8	47	34
Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1	ZINC000852252381	GE	On-Demand	Clean	VHL	50	33
O=C(NOCc1ccc(F)cc1)N1CCC(c2ccco2)CC1	ZINC000852252386	DG	On-Demand	Anodyne	GRIN2B	16	42
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCc1ccc(F)cc1	ZINC000852252429	GH	On-Demand	Anodyne	GRIN2B	19	41
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCc1ccc(F)cc1	ZINC000852252429	GH	On-Demand	Anodyne	CCR3	52	39
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCc1ccc(F)cc1	ZINC000852252429	GH	On-Demand	Anodyne	CACNA1I	42	35
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCc1ccc(F)cc1	ZINC000852252430	GH	On-Demand	Anodyne	GRIN2B	19	41
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCc1ccc(F)cc1	ZINC000852252430	GH	On-Demand	Anodyne	CCR3	52	39
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCc1ccc(F)cc1	ZINC000852252430	GH	On-Demand	Anodyne	CACNA1I	42	35
O=C(NOCc1ccc(F)cc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852252447	EF	On-Demand	Anodyne	CCR3	61	48
O=C(NOCc1ccc(F)cc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852252447	EF	On-Demand	Anodyne	SLC6A5	34	44
O=C(NOCc1ccc(F)cc1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852252447	EF	On-Demand	Anodyne	EPHX2	19	40
O=C(NOCc1ccc(F)cc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852252448	EF	On-Demand	Anodyne	CCR3	61	48
O=C(NOCc1ccc(F)cc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852252448	EF	On-Demand	Anodyne	SLC6A5	34	44
O=C(NOCc1ccc(F)cc1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852252448	EF	On-Demand	Anodyne	EPHX2	19	40
O=C(NC[C@H]1CN(Cc2ccccc2)CC12CCC2)NOCc1ccc(F)cc1	ZINC000852252498	GH	On-Demand	Anodyne	CACNA1G	22	42
O=C(NC[C@H]1CN(Cc2ccccc2)CC12CCC2)NOCc1ccc(F)cc1	ZINC000852252498	GH	On-Demand	Anodyne	SLC12A5	52	39
COc1ccc(N2CC[C@H](NC(=O)NCCC3CCC(OC)CC3)C2)cc1	ZINC000852252537	GG	On-Demand	Clean	MTNR1A	15	45
O=C(NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)NOCc1ccc(F)cc1	ZINC000852252550	GH	On-Demand	Anodyne	CACNA1G	22	42
O=C(NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)NOCc1ccc(F)cc1	ZINC000852252550	GH	On-Demand	Anodyne	SLC12A5	52	39
O=C(NOCc1ccc(F)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852252629	CD	On-Demand	Anodyne	GRIN2B	19	43
O=C(NOCc1ccc(F)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852252631	CD	On-Demand	Anodyne	GRIN2B	19	43
O=C(NOCc1ccc(F)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852252632	CD	On-Demand	Anodyne	GRIN2B	19	43
O=C(NOCc1ccc(F)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852252633	CD	On-Demand	Anodyne	GRIN2B	19	43
COc1cccc(OC)c1CNC(=O)NC1CC(OC)C1	ZINC000852252643	CD	On-Demand	Anodyne	KCNA3	40	37
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NOCc1ccc(F)cc1	ZINC000852252775	EE	On-Demand	Anodyne	CCR3	43	33
O=C(NCC1CCN(C2CCOCC2)CC1)NOCc1ccc(F)cc1	ZINC000852252809	FE	On-Demand	Anodyne	GRIN2B	21	44
O=C(NCC1CCN(C2CCOCC2)CC1)NOCc1ccc(F)cc1	ZINC000852252809	FE	On-Demand	Anodyne	CCR3	57	39
COc1ccc(N2CC[C@H](NC(=O)NC3CC(OC)C3)C2)cc1	ZINC000852252837	DD	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)NC3CC(OC)C3)C2)cc1	ZINC000852252837	DD	On-Demand	Clean	MTNR1B	16	48
COc1ccc(N2CC[C@H](NC(=O)NC3CC(OC)C3)C2)cc1	ZINC000852252837	DD	On-Demand	Clean	EPHX2	25	43
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1ccc(F)cc1	ZINC000852252851	EF	On-Demand	Anodyne	CHRM4	18	41
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1ccc(F)cc1	ZINC000852252851	EF	On-Demand	Anodyne	CCR3	138	46
O=C(NC[C@H]1CCCN(CC2CC2)C1)NOCc1ccc(F)cc1	ZINC000852252851	EF	On-Demand	Anodyne	CYP2D6	21	42
O=C(NOCc1ccc(F)cc1)N1CCC(c2ccon2)CC1	ZINC000852252918	DF	On-Demand	Anodyne	GRIN2B	17	42
O=C(NOCc1ccc(F)cc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852252960	ED	On-Demand	Anodyne	SIGMAR1	18	42
O=C(NOCc1ccc(F)cc1)NC1CCN([C@H]2CCOC2)CC1	ZINC000852252960	ED	On-Demand	Anodyne	MCHR1	16	42
O=C(NOCc1ccc(F)cc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852252961	ED	On-Demand	Anodyne	SIGMAR1	18	42
O=C(NOCc1ccc(F)cc1)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852252961	ED	On-Demand	Anodyne	MCHR1	16	42
O=C(NCc1cccnc1N1CCCC1)NOCc1ccc(F)cc1	ZINC000852252988	EF	On-Demand	Anodyne	KCNQ2	16	40
O=C(NCc1cccnc1N1CCCC1)NOCc1ccc(F)cc1	ZINC000852252988	EF	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NOCc1ccc(F)cc1	ZINC000852252988	EF	On-Demand	Anodyne	AKT2	16	42
O=C(NCc1cccnc1N1CCCC1)NOCc1ccc(F)cc1	ZINC000852252988	EF	On-Demand	Anodyne	SCN10A	22	46
O=C(NOCc1ccc(F)cc1)N[C@H]1CCNC1=O	ZINC000852253035	CC	On-Demand	Anodyne	NAAA	27	40
O=C(NOCc1ccc(F)cc1)N[C@@H]1CCNC1=O	ZINC000852253036	CC	On-Demand	Anodyne	NAAA	27	40
C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1	ZINC000852253039	GG	On-Demand	Anodyne	SFRP1	55	34
C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1	ZINC000852253039	GG	On-Demand	Anodyne	WNT3	51	31
COc1ccc(N2CC[C@H](NC(=O)NOCc3ccc(F)cc3)C2)cc1	ZINC000852253046	FF	On-Demand	Clean	CCR3	64	44
COc1ccc(N2CC[C@H](NC(=O)NOCc3ccc(F)cc3)C2)cc1	ZINC000852253046	FF	On-Demand	Clean	MCHR1	20	44
C[C@@H](CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852253099	DE	On-Demand	Anodyne	CCR5	22	44
C[C@@H](CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852253099	DE	On-Demand	Anodyne	BIRC8	49	36
C[C@@H](CNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852253102	DE	On-Demand	Anodyne	CCR5	22	44
C[C@@H](CNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852253102	DE	On-Demand	Anodyne	BIRC8	49	36
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NOCc1ccc(F)cc1	ZINC000852253193	FD	On-Demand	Anodyne	CCR3	39	41
O=C(NCCN1C[C@H]2CCCCN2C1=O)NOCc1ccc(F)cc1	ZINC000852253194	FD	On-Demand	Anodyne	CCR3	39	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1ccc(F)cc1	ZINC000852253196	FF	On-Demand	Anodyne	ACHE	26	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1ccc(F)cc1	ZINC000852253196	FF	On-Demand	Anodyne	GRIN2B	25	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1ccc(F)cc1	ZINC000852253196	FF	On-Demand	Anodyne	HRH3	15	50
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1ccc(F)cc1	ZINC000852253196	FF	On-Demand	Anodyne	SIGMAR1	39	61
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1ccc(F)cc1	ZINC000852253196	FF	On-Demand	Anodyne	CCR3	94	50
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1ccc(F)cc1	ZINC000852253196	FF	On-Demand	Anodyne	MCHR1	32	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1ccc(F)cc1	ZINC000852253196	FF	On-Demand	Anodyne	CACNA1G	37	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCc1ccc(F)cc1	ZINC000852253196	FF	On-Demand	Anodyne	CACNA1I	63	42
O=C(NOCc1ccc(F)cc1)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852253204	EG	On-Demand	Anodyne	GRIN2B	19	44
O=C(NOCc1ccc(F)cc1)N1CCC([C@H]2CCCCO2)CC1	ZINC000852253205	EG	On-Demand	Anodyne	GRIN2B	19	44
O=C(NOCc1ccc(F)cc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852253211	GE	On-Demand	Anodyne	SIGMAR1	15	40
O=C(NOCc1ccc(F)cc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852253211	GE	On-Demand	Anodyne	ENPP2	50	34
CCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852253212	FE	On-Demand	Anodyne	CCR2	17	42
CCO[C@H]1COCC[C@H]1NC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852253214	FE	On-Demand	Anodyne	CCR2	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)c3ncc(C)s3)C2)cc1	ZINC000852253250	FG	On-Demand	Clean	PARE	44	32
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)c3ncc(C)s3)C2)cc1	ZINC000852253254	FG	On-Demand	Clean	PARE	44	32
CCC(C)(C)[C@@H](C)NC(=O)NOCc1ccc(F)cc1	ZINC000852253265	CG	On-Demand	Anodyne	ACE2	36	44
COc1ccc(N2CC[C@H](NC(=O)NCCOC(C)C)C2)cc1	ZINC000852253308	DD	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NCCOC(C)C)C2)cc1	ZINC000852253308	DD	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)c3ccccc3)C2)cc1	ZINC000852253326	FG	On-Demand	Clean	MTNR1A	22	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)c3ccccc3)C2)cc1	ZINC000852253326	FG	On-Demand	Clean	MTNR1B	22	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)c3ccccc3)C2)cc1	ZINC000852253326	FG	On-Demand	Clean	MCHR1	16	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)c3ccccc3)C2)cc1	ZINC000852253329	FG	On-Demand	Clean	MTNR1A	22	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)c3ccccc3)C2)cc1	ZINC000852253329	FG	On-Demand	Clean	MTNR1B	22	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)c3ccccc3)C2)cc1	ZINC000852253329	FG	On-Demand	Clean	MCHR1	16	43
CC[C@@H](C)CCNC(=O)NOCc1ccc(F)cc1	ZINC000852253364	CF	On-Demand	Anodyne	CAPN2	48	32
O=C(NOCc1ccc(F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852253370	CE	On-Demand	Anodyne	GRIN2B	21	44
O=C(NOCc1ccc(F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852253370	CE	On-Demand	Anodyne	CCR3	54	39
O=C(NOCc1ccc(F)cc1)N1CC[C@@H]2C[C@H]2C1	ZINC000852253370	CE	On-Demand	Anodyne	F13A1	23	41
O=C(NOCc1ccc(F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852253371	CE	On-Demand	Anodyne	GRIN2B	21	44
O=C(NOCc1ccc(F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852253371	CE	On-Demand	Anodyne	CCR3	54	39
O=C(NOCc1ccc(F)cc1)N1CC[C@H]2C[C@@H]2C1	ZINC000852253371	CE	On-Demand	Anodyne	F13A1	23	41
O=C(NOCc1ccc(F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852253372	CE	On-Demand	Anodyne	GRIN2B	21	44
O=C(NOCc1ccc(F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852253372	CE	On-Demand	Anodyne	CCR3	54	39
O=C(NOCc1ccc(F)cc1)N1CC[C@H]2C[C@H]2C1	ZINC000852253372	CE	On-Demand	Anodyne	F13A1	23	41
O=C(NOCc1ccc(F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852253373	CE	On-Demand	Anodyne	GRIN2B	21	44
O=C(NOCc1ccc(F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852253373	CE	On-Demand	Anodyne	CCR3	54	39
O=C(NOCc1ccc(F)cc1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852253373	CE	On-Demand	Anodyne	F13A1	23	41
Oc1ccc2c(c1)CN(CCOC(F)F)CCN2CCOC(F)F	ZINC000852253415	FE	On-Demand	Anodyne	SLC6A3	20	40
O=C(CON=Cc1ccccc1Br)Nc1cccc(Cl)c1	ZINC000852253495	FI	On-Demand	Mild	KCNK3	20	40
COc1cccc([C@]2(C)CCN(C(=O)NC3CC(OC)C3)C2)c1	ZINC000852253511	DF	On-Demand	Anodyne	EPHX2	16	42
C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852253514	FF	On-Demand	Anodyne	SFRP1	62	34
C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852253514	FF	On-Demand	Anodyne	WNT3	41	34
COC(=O)c1ccc(CNC(=O)NC2CC(OC)C2)c(F)c1	ZINC000852253567	DD	On-Demand	Anodyne	BDKRB1	27	42
O=C(CON=Cc1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852253568	JG	On-Demand	Mild	LPL	44	37
O=C(CON=Cc1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852253568	JG	On-Demand	Mild	TGM2	42	44
O=C(CON=Cc1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852253568	JG	On-Demand	Mild	F13A1	70	44
O=C(CON=Cc1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852253568	JG	On-Demand	Mild	AKR1C3	49	41
N#CC[C@H]1CCCN(C(=O)NOCc2ccc(F)cc2)C1	ZINC000852253581	CF	On-Demand	Mild	CCR3	77	35
N#CC[C@H]1CCCN(C(=O)NOCc2ccc(F)cc2)C1	ZINC000852253581	CF	On-Demand	Mild	LGMN	59	40
N#CC[C@@H]1CCCN(C(=O)NOCc2ccc(F)cc2)C1	ZINC000852253582	CF	On-Demand	Mild	CCR3	77	35
N#CC[C@@H]1CCCN(C(=O)NOCc2ccc(F)cc2)C1	ZINC000852253582	CF	On-Demand	Mild	LGMN	59	40
O=C(NOCc1ccc(F)cc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852253619	EG	On-Demand	Anodyne	EPHX2	31	46
CC(C)(C)N1CC[C@H](NC(=O)NOCc2ccc(F)cc2)C1	ZINC000852253708	DE	On-Demand	Anodyne	CCR3	67	42
CC(C)(C)N1CC[C@H](NC(=O)NOCc2ccc(F)cc2)C1	ZINC000852253708	DE	On-Demand	Anodyne	MCHR1	17	42
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2ccc(F)cc2)C1	ZINC000852253709	DE	On-Demand	Anodyne	CCR3	67	42
CC(C)(C)N1CC[C@@H](NC(=O)NOCc2ccc(F)cc2)C1	ZINC000852253709	DE	On-Demand	Anodyne	MCHR1	17	42
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253726	EF	On-Demand	Anodyne	DRD2	15	40
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253726	EF	On-Demand	Anodyne	SLC6A3	21	40
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253726	EF	On-Demand	Anodyne	SIGMAR1	37	47
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253726	EF	On-Demand	Anodyne	CCR3	58	39
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253726	EF	On-Demand	Anodyne	CACNA1G	36	42
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253727	EF	On-Demand	Anodyne	DRD2	15	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253727	EF	On-Demand	Anodyne	SLC6A3	21	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253727	EF	On-Demand	Anodyne	SIGMAR1	37	47
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253727	EF	On-Demand	Anodyne	CCR3	58	39
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCc1ccc(F)cc1	ZINC000852253727	EF	On-Demand	Anodyne	CACNA1G	36	42
O=C(NCCCC1CCC1)NOCc1ccc(F)cc1	ZINC000852253735	CG	On-Demand	Anodyne	CCR3	48	45
O=C(NOCc1ccc(F)cc1)N1CCc2nccnc2C1	ZINC000852253765	DD	On-Demand	Anodyne	MAPK1	19	42
Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NOCc1ccc(F)cc1	ZINC000852253769	FE	On-Demand	Anodyne	CCR3	44	35
O=C(CON=Cc1ccccc1Br)NCCCc1ccccc1	ZINC000852253774	GH	On-Demand	Mild	AMP1_PLAFQ	25	43
O=C(CON=Cc1ccccc1Br)NCCCc1ccccc1	ZINC000852253774	GH	On-Demand	Mild	CRTM	35	40
O=C(NOCc1ccc(F)cc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852253775	GG	On-Demand	Anodyne	CCR3	44	40
O=C(NOCc1ccc(F)cc1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852253775	GG	On-Demand	Anodyne	SSTR3	42	57
O=C(NOCc1ccc(F)cc1)N1CCC[C@H](CCF)C1	ZINC000852253779	CG	On-Demand	Anodyne	GRIN2B	19	42
O=C(NOCc1ccc(F)cc1)N1CCC[C@H](CCF)C1	ZINC000852253779	CG	On-Demand	Anodyne	CCR3	96	36
O=C(NOCc1ccc(F)cc1)N1CCC[C@@H](CCF)C1	ZINC000852253780	CG	On-Demand	Anodyne	GRIN2B	19	42
O=C(NOCc1ccc(F)cc1)N1CCC[C@@H](CCF)C1	ZINC000852253780	CG	On-Demand	Anodyne	CCR3	96	36
CC[C@@H](CC(F)(F)F)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852253798	GJ	On-Demand	Anodyne	PDS	65	35
O=C(NC1Cc2ccccc2C1)N1CCC(N2CCOC2=O)CC1	ZINC000852253806	ED	On-Demand	Anodyne	EPHX2	19	48
C[C@@H]1CCN(C(=O)NC2Cc3ccccc3C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852253873	FE	On-Demand	Anodyne	EPHX2	22	44
CC[C@@H](CC(F)(F)F)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852253897	FH	On-Demand	Anodyne	KCNJ11	68	36
CC[C@@H](CC(F)(F)F)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852253900	FH	On-Demand	Anodyne	KCNJ11	68	36
O=C(NC1Cc2ccccc2C1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852254000	GG	On-Demand	Anodyne	MTTP	44	43
CCC(CC)(CNC(=O)NCCC1(C)OCCO1)c1ccc(F)cc1	ZINC000852254042	FG	On-Demand	Anodyne	CACNA1G	37	44
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCCC1(C)OCCO1	ZINC000852254051	FF	On-Demand	Anodyne	MDM2	121	35
Cn1cc(CCNC(=O)NCCC2(C)OCCO2)c2ccccc21	ZINC000852254096	EE	On-Demand	Anodyne	MTNR1A	17	43
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NC1Cc2ccccc2C1	ZINC000852254168	FG	On-Demand	Anodyne	ADRB3	21	48
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC1Cc2ccccc2C1	ZINC000852254169	FG	On-Demand	Anodyne	ADRB3	21	48
COCCN(CCF)C(=O)NC1Cc2ccccc2C1	ZINC000852254246	CD	On-Demand	Anodyne	ADAM9	56	31
COc1ccc(N2CC[C@H](NC(=O)NCc3nn(C)c4ccccc34)C2)cc1	ZINC000852254313	GF	On-Demand	Clean	MTNR1A	24	47
COc1ccc(N2CC[C@H](NC(=O)NCc3nn(C)c4ccccc34)C2)cc1	ZINC000852254313	GF	On-Demand	Clean	MTNR1B	23	47
COc1ccc(N2CC[C@H](NC(=O)NC3Cc4ccccc4C3)C2)cc1	ZINC000852254335	FF	On-Demand	Clean	SIGMAR1	18	45
COc1ccc(N2CC[C@H](NC(=O)NC3Cc4ccccc4C3)C2)cc1	ZINC000852254335	FF	On-Demand	Clean	MTNR1A	22	50
COc1ccc(N2CC[C@H](NC(=O)NC3Cc4ccccc4C3)C2)cc1	ZINC000852254335	FF	On-Demand	Clean	MTNR1B	24	50
COc1ccc(N2CC[C@H](NC(=O)NC3Cc4ccccc4C3)C2)cc1	ZINC000852254335	FF	On-Demand	Clean	EPHX2	20	42
COc1cccc([C@]2(C)CCN(C(=O)NCCC3(C)OCCO3)C2)c1	ZINC000852254345	EF	On-Demand	Anodyne	DRD4	46	35
COc1cccc([C@]2(C)CCN(C(=O)NCCC3(C)OCCO3)C2)c1	ZINC000852254345	EF	On-Demand	Anodyne	MTNR1A	40	38
COc1cccc([C@]2(C)CCN(C(=O)NCCC3(C)OCCO3)C2)c1	ZINC000852254345	EF	On-Demand	Anodyne	ICMT	41	39
O=C(NCc1cccc(-c2cccnc2)c1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852254408	FG	On-Demand	Anodyne	NAMPT	40	38
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccn(C)n3)C2)cc1	ZINC000852254569	ED	On-Demand	Clean	MTNR1A	27	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccn(C)n3)C2)cc1	ZINC000852254569	ED	On-Demand	Clean	MTNR1B	15	43
O=C1CCC2=C(CCN(C(=O)NCc3cccc(-c4cccnc4)c3)C2)N1	ZINC000852254629	FF	On-Demand	Anodyne	CYP11B2	29	41
O=C1CCC2=C(CCN(C(=O)NCc3cccc(-c4cccnc4)c3)C2)N1	ZINC000852254629	FF	On-Demand	Anodyne	NAMPT	56	39
O=C(NCc1cccc(-c2cccnc2)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852254637	FE	On-Demand	Anodyne	NAMPT	51	36
O=C(NCc1cccc(-c2cccnc2)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852254638	FE	On-Demand	Anodyne	NAMPT	51	36
O=C(NCc1ccc(C(F)F)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852254639	EE	On-Demand	Anodyne	NPSR1	26	40
O=C(NCc1ccc(C(F)F)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852254640	EE	On-Demand	Anodyne	NPSR1	26	40
O=C(CON=Cc1ccccc1Br)NCc1cccc(Cl)c1	ZINC000852254744	GH	On-Demand	Mild	PDS	51	38
COC(=O)N(C)CCNC(=O)NCCc1c(C)oc2ccccc12	ZINC000852254748	EE	On-Demand	Anodyne	MTNR1A	28	42
COC(=O)N(C)CCNC(=O)NCCc1c(C)oc2ccccc12	ZINC000852254748	EE	On-Demand	Anodyne	MTNR1B	23	42
COCCN(CCF)C(=O)NCc1cccc(-c2cccnc2)c1	ZINC000852254792	EF	On-Demand	Anodyne	PTAFR	15	41
COCCN(CCF)C(=O)NCc1cccc(-c2cccnc2)c1	ZINC000852254792	EF	On-Demand	Anodyne	ROCK2	44	34
O=C(NC1CC(OCc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852254795	CF	On-Demand	Anodyne	EPHX2	18	49
O=C(NC1CC(OCc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852254796	CF	On-Demand	Anodyne	EPHX2	18	49
O=C(NCc1ncccn1)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1	ZINC000852254797	GE	On-Demand	Anodyne	P2RX7	41	39
O=C(NCc1ncccn1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1	ZINC000852254798	GE	On-Demand	Anodyne	P2RX7	41	39
COCCN(CCF)C(=O)NCCc1c(C)oc2ccccc12	ZINC000852254835	DF	On-Demand	Anodyne	MTNR1A	16	40
C=CCCNC(=O)N[C@H](C)CNC(=O)OC(C)(C)C	ZINC000852254843	CD	On-Demand	Mild	CTSK	15	43
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852254851	FF	On-Demand	Anodyne	EPHX2	23	40
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852254852	FF	On-Demand	Anodyne	EPHX2	23	40
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852254853	FF	On-Demand	Anodyne	EPHX2	23	40
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852254854	FF	On-Demand	Anodyne	EPHX2	23	40
O=C(NCc1ncccn1)NC1CC(OCc2ccccc2)C1	ZINC000852254856	DE	On-Demand	Anodyne	EPHX2	20	48
C#C[C@@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254862	FF	On-Demand	Mild	HTR6	26	41
C#C[C@@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254862	FF	On-Demand	Mild	MTNR1A	21	42
C#C[C@@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254862	FF	On-Demand	Mild	EBP	15	43
C#C[C@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254863	FF	On-Demand	Mild	HTR6	26	41
C#C[C@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254863	FF	On-Demand	Mild	MTNR1A	21	42
C#C[C@H](NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254863	FF	On-Demand	Mild	EBP	15	43
C#C[C@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254864	FF	On-Demand	Mild	HTR6	26	41
C#C[C@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254864	FF	On-Demand	Mild	MTNR1A	21	42
C#C[C@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254864	FF	On-Demand	Mild	EBP	15	43
C#C[C@@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254865	FF	On-Demand	Mild	HTR6	26	41
C#C[C@@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254865	FF	On-Demand	Mild	MTNR1A	21	42
C#C[C@@H](NC(=O)NC[C@H]1CCCc2cc(OC)ccc21)C1CCOCC1	ZINC000852254865	FF	On-Demand	Mild	EBP	15	43
COC(=O)N(C)CCNC(=O)NCc1cccc(-c2cccnc2)c1	ZINC000852254866	EE	On-Demand	Anodyne	CYP11B1	15	40
COC(=O)N(C)CCNC(=O)NCc1cccc(-c2cccnc2)c1	ZINC000852254866	EE	On-Demand	Anodyne	CYP11B2	31	40
COC(=O)N(C)CCNC(=O)NCc1cccc(-c2cccnc2)c1	ZINC000852254866	EE	On-Demand	Anodyne	ROCK2	36	42
COC(=O)N(C)CCNC(=O)NCc1cccc(-c2cccnc2)c1	ZINC000852254866	EE	On-Demand	Anodyne	NAMPT	42	39
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOc4ccc(OC)cc43)C2)cc1	ZINC000852254905	GG	On-Demand	Clean	MTNR1A	21	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOc4ccc(OC)cc43)C2)cc1	ZINC000852254905	GG	On-Demand	Clean	MTNR1B	21	45
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccc(-c3cccnc3)c2)O1	ZINC000852254912	GD	On-Demand	Reactive	NAMPT	38	44
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccc(-c3cccnc3)c2)O1	ZINC000852254914	GD	On-Demand	Reactive	NAMPT	38	44
O=C(NCC1SCCS1)NC1CC(OCc2ccccc2)C1	ZINC000852254919	EF	On-Demand	Anodyne	EPHX2	19	51
O=C(NCCC1SCCS1)NC1CC(OCc2ccccc2)C1	ZINC000852254920	FG	On-Demand	Anodyne	EPHX2	16	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(F)F)cc3)C2)cc1	ZINC000852254989	GH	On-Demand	Clean	MCHR1	18	50
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000852255019	EE	On-Demand	Anodyne	NQO2	31	45
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000852255019	EE	On-Demand	Anodyne	MTNR1A	40	46
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000852255019	EE	On-Demand	Anodyne	EBP	17	47
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000852255020	EE	On-Demand	Anodyne	NQO2	31	45
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000852255020	EE	On-Demand	Anodyne	MTNR1A	40	46
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000852255020	EE	On-Demand	Anodyne	EBP	17	47
C=CC[C@H]1CCCN(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)C1	ZINC000852255025	EF	On-Demand	Mild	REN	37	41
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)C1	ZINC000852255026	EF	On-Demand	Mild	REN	37	41
CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1ccccc1Br	ZINC000852255085	HK	On-Demand	Mild	SOAT1	58	43
COC(=O)N(C)CCNC(=O)NCc1c(OC(C)C)ccc2ccccc12	ZINC000852255088	FG	On-Demand	Anodyne	NCEH1	24	41
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](C)CNC(=O)OC(C)(C)C	ZINC000852255136	DG	On-Demand	Anodyne	CTSK	15	41
COCCN(CCF)C(=O)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000852255200	EF	On-Demand	Anodyne	NQO2	23	44
COCCN(CCF)C(=O)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000852255200	EF	On-Demand	Anodyne	HTR6	38	40
COCCN(CCF)C(=O)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000852255200	EF	On-Demand	Anodyne	PPARD	41	40
COCCN(CCF)C(=O)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000852255200	EF	On-Demand	Anodyne	MTNR1A	19	44
COCCN(CCF)C(=O)NC[C@@H]1CCCc2cc(OC)ccc21	ZINC000852255200	EF	On-Demand	Anodyne	EBP	16	43
COCCN(CCF)C(=O)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000852255201	EF	On-Demand	Anodyne	NQO2	23	44
COCCN(CCF)C(=O)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000852255201	EF	On-Demand	Anodyne	HTR6	38	40
COCCN(CCF)C(=O)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000852255201	EF	On-Demand	Anodyne	PPARD	41	40
COCCN(CCF)C(=O)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000852255201	EF	On-Demand	Anodyne	MTNR1A	19	44
COCCN(CCF)C(=O)NC[C@H]1CCCc2cc(OC)ccc21	ZINC000852255201	EF	On-Demand	Anodyne	EBP	16	43
O=C(NCCC1SCCS1)NCc1cccc(-c2cccnc2)c1	ZINC000852255218	FH	On-Demand	Anodyne	NAMPT	40	39
O=C(NCc1cccc(-c2cccnc2)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852255270	GF	On-Demand	Anodyne	NAMPT	56	36
O=C(NCc1cccc(-c2cccnc2)c1)NCC1SCCS1	ZINC000852255341	EG	On-Demand	Anodyne	NAMPT	44	41
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc(-c2cccnc2)c1	ZINC000852255343	GF	On-Demand	Anodyne	NAMPT	41	38
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc(-c2cccnc2)c1	ZINC000852255344	GF	On-Demand	Anodyne	NAMPT	41	38
CC[C@@H](C)CCNC(=O)N[C@H](C)CNC(=O)OC(C)(C)C	ZINC000852255358	DF	On-Demand	Anodyne	CTSK	18	43
C#C[C@H](NC(=O)NCc1cccc(-c2cccnc2)c1)C1CCOCC1	ZINC000852255367	EF	On-Demand	Mild	NAMPT	55	39
C#C[C@@H](NC(=O)NCc1cccc(-c2cccnc2)c1)C1CCOCC1	ZINC000852255368	EF	On-Demand	Mild	NAMPT	55	39
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC(F)(F)F)C2)cc1	ZINC000852255381	EF	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CC(F)(F)F)C2)cc1	ZINC000852255383	EF	On-Demand	Clean	MCHR1	15	40
O=C(NC1CC(OCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852255393	EF	On-Demand	Anodyne	EPHX2	15	50
O=C(NC1CC(OCc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852255393	EF	On-Demand	Anodyne	SLC12A5	54	32
O=C(NC1CC(OCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852255394	EF	On-Demand	Anodyne	EPHX2	15	50
O=C(NC1CC(OCc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852255394	EF	On-Demand	Anodyne	SLC12A5	54	32
COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)cc1F	ZINC000852255480	GH	On-Demand	Anodyne	ELANE	24	40
Cn1nccc1CCNC(=O)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852255509	GG	On-Demand	Anodyne	BDKRB1	48	35
Cn1nccc1CCNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852255510	GG	On-Demand	Anodyne	BDKRB1	48	35
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852255573	FD	On-Demand	Reactive	DRD4	19	49
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852255574	FD	On-Demand	Reactive	DRD4	19	49
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852255575	FD	On-Demand	Reactive	DRD4	19	49
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852255576	FD	On-Demand	Reactive	DRD4	19	49
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852255583	GC	On-Demand	Reactive	DRD4	18	46
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852255584	GC	On-Demand	Reactive	DRD4	18	46
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)O1	ZINC000852255585	GC	On-Demand	Reactive	DRD4	18	46
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)O1	ZINC000852255586	GC	On-Demand	Reactive	DRD4	18	46
Cn1nccc1CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852255619	FD	On-Demand	Anodyne	ACHE	32	45
Cn1nccc1CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852255619	FD	On-Demand	Anodyne	HTR4	42	39
Cn1nccc1CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852255619	FD	On-Demand	Anodyne	SIGMAR1	24	42
Cn1nccc1CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852255619	FD	On-Demand	Anodyne	SSTR5	58	35
Cn1nccc1CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852255619	FD	On-Demand	Anodyne	CCR3	46	45
Cn1nccc1CCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852255619	FD	On-Demand	Anodyne	CACNA1I	63	43
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852255639	FE	On-Demand	Anodyne	SMO	27	42
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852255640	FE	On-Demand	Anodyne	SMO	27	42
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852255641	FE	On-Demand	Anodyne	SMO	27	42
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852255642	FE	On-Demand	Anodyne	SMO	27	42
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852255643	FC	On-Demand	Reactive	DRD4	18	49
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852255644	FC	On-Demand	Reactive	DRD4	18	49
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852255645	FC	On-Demand	Reactive	DRD4	18	49
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852255646	FC	On-Demand	Reactive	DRD4	18	49
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1SCCS1	ZINC000852255672	FG	On-Demand	Anodyne	DRD4	20	48
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1SCCS1	ZINC000852255672	FG	On-Demand	Anodyne	ACHE	18	42
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1SCCS1	ZINC000852255673	FG	On-Demand	Anodyne	DRD4	20	48
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1SCCS1	ZINC000852255673	FG	On-Demand	Anodyne	ACHE	18	42
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852255674	FG	On-Demand	Anodyne	DRD4	20	48
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852255674	FG	On-Demand	Anodyne	ACHE	18	42
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852255675	FG	On-Demand	Anodyne	DRD4	20	48
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1SCCS1	ZINC000852255675	FG	On-Demand	Anodyne	ACHE	18	42
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ncccn1	ZINC000852255726	ED	On-Demand	Anodyne	DRD4	23	48
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCc1ncccn1	ZINC000852255727	ED	On-Demand	Anodyne	DRD4	23	48
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ncccn1	ZINC000852255728	ED	On-Demand	Anodyne	DRD4	23	48
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCc1ncccn1	ZINC000852255729	ED	On-Demand	Anodyne	DRD4	23	48
CC(C)c1ccc2c(c1)CN(C(=O)NCCc1ccnn1C)CC2	ZINC000852255747	EF	On-Demand	Anodyne	MAPK1	42	39
Cn1nccc1CCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852255754	FE	On-Demand	Anodyne	SSTR3	32	46
COc1ccc([C@@H]2CCCN2C(=O)NCCc2ccnn2C)cc1F	ZINC000852255808	EF	On-Demand	Anodyne	ACKR3	56	31
COCCN(CCF)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1	ZINC000852255812	FD	On-Demand	Anodyne	BACE1	15	44
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCCc1ccnn1C	ZINC000852255829	DE	On-Demand	Anodyne	P2RX7	30	49
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCCc1ccnn1C	ZINC000852255830	DE	On-Demand	Anodyne	P2RX7	30	49
Cn1nccc1CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852255875	FF	On-Demand	Anodyne	KCNH2	41	42
Cn1nccc1CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852255875	FF	On-Demand	Anodyne	GLRA1	42	34
CC(=O)c1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2Br)c1	ZINC000852255900	GI	On-Demand	Mild	KCNK3	82	34
CC(=O)c1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2Br)c1	ZINC000852255900	GI	On-Demand	Mild	KCNK9	57	34
CC(=O)c1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2Br)c1	ZINC000852255901	GI	On-Demand	Mild	KCNK3	82	34
CC(=O)c1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2Br)c1	ZINC000852255901	GI	On-Demand	Mild	KCNK9	57	34
O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NCc1ncccn1	ZINC000852255904	FD	On-Demand	Anodyne	CDK1	18	42
Cn1nccc1CCNC(=O)NCc1cc(F)ccc1OC(F)F	ZINC000852255913	EE	On-Demand	Anodyne	P2RX7	36	50
O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)N[C@H]1C=CCC1	ZINC000852255920	ED	On-Demand	Anodyne	CDK1	17	40
O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)N[C@@H]1C=CCC1	ZINC000852255921	ED	On-Demand	Anodyne	CDK1	17	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccnn3C)C2)cc1	ZINC000852255938	ED	On-Demand	Clean	MTNR1A	25	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccnn3C)C2)cc1	ZINC000852255938	ED	On-Demand	Clean	MTNR1B	16	43
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)N[C@H]1C=CCC1	ZINC000852255951	ED	On-Demand	Anodyne	CDK1	17	42
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)N[C@@H]1C=CCC1	ZINC000852255952	ED	On-Demand	Anodyne	CDK1	17	42
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852255954	FD	On-Demand	Anodyne	DRD4	30	43
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852255955	FD	On-Demand	Anodyne	DRD4	30	43
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852255956	FD	On-Demand	Anodyne	DRD4	30	43
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852255957	FD	On-Demand	Anodyne	DRD4	30	43
COC(=O)c1ccc(CNC(=O)NCCc2ccnn2C)c(F)c1	ZINC000852255962	ED	On-Demand	Anodyne	P2RX7	15	47
Cn1nccc1CCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852255978	FF	On-Demand	Anodyne	P2RY14	47	36
Cn1nccc1CCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852255987	EF	On-Demand	Anodyne	DNAE	78	32
Cn1nccc1CCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852255987	EF	On-Demand	Anodyne	RPA1	60	38
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852255995	GE	On-Demand	Anodyne	DRD4	19	44
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852255996	GE	On-Demand	Anodyne	DRD4	19	44
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852255997	GE	On-Demand	Anodyne	DRD4	19	44
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852255998	GE	On-Demand	Anodyne	DRD4	19	44
Cn1nccc1CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852256006	GF	On-Demand	Anodyne	CNR1	67	42
Cn1nccc1CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852256006	GF	On-Demand	Anodyne	DRD1	50	38
Cn1nccc1CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852256006	GF	On-Demand	Anodyne	HTR2A	15	40
Cn1nccc1CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852256006	GF	On-Demand	Anodyne	HTR2C	17	40
Cn1nccc1CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852256006	GF	On-Demand	Anodyne	CNR2	23	40
Cn1nccc1CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852256006	GF	On-Demand	Anodyne	MC4R	66	36
Cn1nccc1CCNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852256006	GF	On-Demand	Anodyne	CXCR3	20	47
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852256007	FF	On-Demand	Reactive	DRD4	24	47
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852256008	FF	On-Demand	Reactive	DRD4	24	47
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852256009	FF	On-Demand	Reactive	DRD4	24	47
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852256010	FF	On-Demand	Reactive	DRD4	24	47
Cn1nccc1CCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852256030	DD	On-Demand	Anodyne	CCR3	85	40
Cn1nccc1CCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852256031	DD	On-Demand	Anodyne	CCR3	85	40
C[C@@H](ON=Cc1ccccc1Br)C(=O)Nc1cccc(Cl)c1	ZINC000852256034	GI	On-Demand	Mild	KCNK3	41	39
COCCN(CCF)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000852256044	EE	On-Demand	Anodyne	DRD4	20	52
COCCN(CCF)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000852256045	EE	On-Demand	Anodyne	DRD4	20	52
Cn1nccc1CCNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852256052	DD	On-Demand	Anodyne	EPHX2	22	40
O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NNc1ccc(Cl)cn1	ZINC000852256054	GE	On-Demand	Reactive	CDK1	16	44
Cn1nccc1CCNC(=O)NCc1cccc(OC2CC2)c1F	ZINC000852256062	EE	On-Demand	Anodyne	P2RX7	20	42
Cn1nccc1CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852256072	FF	On-Demand	Anodyne	SCD1	18	41
Cn1nccc1CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852256072	FF	On-Demand	Anodyne	SCD	29	41
Cn1nccc1CCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852256089	GF	On-Demand	Anodyne	RPA1	78	36
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NCc1ncccn1	ZINC000852256143	FD	On-Demand	Anodyne	CDK1	18	44
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852256150	CF	On-Demand	Anodyne	DRD4	30	49
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852256150	CF	On-Demand	Anodyne	SIGMAR1	32	42
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852256151	CF	On-Demand	Anodyne	DRD4	30	49
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852256151	CF	On-Demand	Anodyne	SIGMAR1	32	42
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852256152	CF	On-Demand	Anodyne	DRD4	30	49
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852256152	CF	On-Demand	Anodyne	SIGMAR1	32	42
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852256153	CF	On-Demand	Anodyne	DRD4	30	49
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852256153	CF	On-Demand	Anodyne	SIGMAR1	32	42
Cn1nccc1CCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852256156	DD	On-Demand	Anodyne	HTR4	45	36
Cn1nccc1CCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852256156	DD	On-Demand	Anodyne	CACNA1I	58	40
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852256166	FE	On-Demand	Anodyne	DRD4	18	42
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852256167	FE	On-Demand	Anodyne	DRD4	18	42
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852256168	FE	On-Demand	Anodyne	DRD4	18	42
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852256169	FE	On-Demand	Anodyne	DRD4	18	42
Cn1nccc1CCNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852256177	ED	On-Demand	Anodyne	CACNA1I	40	36
O=C(NCCOCC1CCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852256226	FG	On-Demand	Anodyne	ADRB1	15	43
O=C(NCCOCC1CCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852256227	FG	On-Demand	Anodyne	ADRB1	15	43
COc1cccc([C@]2(C)CCN(C(=O)NCCc3ccnn3C)C2)c1	ZINC000852256239	EE	On-Demand	Anodyne	DRD4	44	33
COc1cccc([C@]2(C)CCN(C(=O)NCCc3ccnn3C)C2)c1	ZINC000852256239	EE	On-Demand	Anodyne	MTNR1A	48	35
Cn1nccc1CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852256250	DE	On-Demand	Anodyne	MTNR1A	38	45
Cn1nccc1CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852256250	DE	On-Demand	Anodyne	MTNR1B	27	43
Cn1nccc1CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852256250	DE	On-Demand	Anodyne	HNMT	46	34
Cn1nccc1CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852256268	ED	On-Demand	Anodyne	SCN2A	17	43
Cn1nccc1CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852256268	ED	On-Demand	Anodyne	SCN10A	19	43
CCC(CC)(CNC(=O)NCCc1ccnn1C)c1ccc(F)cc1	ZINC000852256274	EG	On-Demand	Anodyne	CACNA1G	38	44
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852256276	GE	On-Demand	Anodyne	DRD4	29	43
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852256276	GE	On-Demand	Anodyne	MLNR	40	34
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852256277	GE	On-Demand	Anodyne	DRD4	29	43
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852256277	GE	On-Demand	Anodyne	MLNR	40	34
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852256278	GE	On-Demand	Anodyne	DRD4	29	43
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852256278	GE	On-Demand	Anodyne	MLNR	40	34
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852256279	GE	On-Demand	Anodyne	DRD4	29	43
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852256279	GE	On-Demand	Anodyne	MLNR	40	34
Cn1nccc1CCNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852256296	DD	On-Demand	Anodyne	SLC6A5	19	41
Cn1nccc1CCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852256297	DD	On-Demand	Anodyne	SLC6A5	19	41
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NCC1SCCS1	ZINC000852256305	GD	On-Demand	Anodyne	CDK1	16	40
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1SCCS1	ZINC000852256306	FF	On-Demand	Anodyne	DRD4	18	48
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1SCCS1	ZINC000852256307	FF	On-Demand	Anodyne	DRD4	18	48
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1SCCS1	ZINC000852256308	FF	On-Demand	Anodyne	DRD4	18	48
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1SCCS1	ZINC000852256309	FF	On-Demand	Anodyne	DRD4	18	48
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCCN(CC3CC3)C2)C1	ZINC000852256399	FD	On-Demand	Anodyne	CHRM4	15	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCCN(CC3CC3)C2)C1	ZINC000852256404	FD	On-Demand	Anodyne	CHRM4	15	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCCN(CC3CC3)C2)C1	ZINC000852256405	FD	On-Demand	Anodyne	CHRM4	15	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCCN(CC3CC3)C2)C1	ZINC000852256406	FD	On-Demand	Anodyne	CHRM4	15	41
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852256422	FF	On-Demand	Anodyne	MAPK1	52	36
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852256422	FF	On-Demand	Anodyne	AKR1C3	15	44
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852256422	FF	On-Demand	Anodyne	BCL2A1	44	39
CC[C@@H](C)CCNC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852256433	CG	On-Demand	Anodyne	TRPV1	16	44
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852256471	GE	On-Demand	Anodyne	ACE	15	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852256471	GE	On-Demand	Anodyne	CCR8	26	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852256473	GE	On-Demand	Anodyne	ACE	15	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852256473	GE	On-Demand	Anodyne	CCR8	26	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852256478	GE	On-Demand	Anodyne	ACE	15	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852256478	GE	On-Demand	Anodyne	CCR8	26	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852256479	GE	On-Demand	Anodyne	ACE	15	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852256479	GE	On-Demand	Anodyne	CCR8	26	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852256540	FG	On-Demand	Anodyne	CCR5	44	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852256540	FG	On-Demand	Anodyne	MCHR1	30	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852256540	FG	On-Demand	Anodyne	CYP2J2	50	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852256540	FG	On-Demand	Anodyne	NAMPT	18	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852256542	FG	On-Demand	Anodyne	CCR5	44	43
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852256542	FG	On-Demand	Anodyne	MCHR1	30	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852256542	FG	On-Demand	Anodyne	CYP2J2	50	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852256542	FG	On-Demand	Anodyne	NAMPT	18	41
COC(=O)c1ccc(CNC(=O)NCc2ccc(C(C)(C)O)cc2)c(F)c1	ZINC000852256554	FF	On-Demand	Anodyne	TRPV1	29	47
COC(=O)c1ccc(CNC(=O)NCc2ccc(C(C)(C)O)cc2)c(F)c1	ZINC000852256554	FF	On-Demand	Anodyne	BDKRB1	29	43
O=C(NOC1CCOCC1)N1CCN(c2ccc(Br)cc2)CC1	ZINC000852256597	GE	On-Demand	Anodyne	ADAM10	34	41
O=C(NOC1CCOCC1)N1CCN(c2ccc(Br)cc2)CC1	ZINC000852256597	GE	On-Demand	Anodyne	AKR1C3	15	58
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NNc1ccc(Cl)cn1	ZINC000852256605	GE	On-Demand	Reactive	F10	20	41
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NNc1ccc(Cl)cn1	ZINC000852256605	GE	On-Demand	Reactive	CDK1	17	44
COC(=O)N(C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000852256606	ED	On-Demand	Anodyne	DRD4	19	50
COC(=O)N(C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000852256607	ED	On-Demand	Anodyne	DRD4	19	50
COC(=O)N(C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000852256608	ED	On-Demand	Anodyne	DRD4	19	50
COC(=O)N(C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000852256609	ED	On-Demand	Anodyne	DRD4	19	50
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852256616	EF	On-Demand	Anodyne	DRD4	16	46
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852256617	EF	On-Demand	Anodyne	DRD4	16	46
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852256618	EF	On-Demand	Anodyne	DRD4	16	46
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852256619	EF	On-Demand	Anodyne	DRD4	16	46
COc1cccc(OC)c1CNC(=O)NOC1CCOCC1	ZINC000852256679	DD	On-Demand	Anodyne	KCNA3	40	35
COC(=O)N(C)CCNC(=O)NCc1cccc(C(C)C)c1	ZINC000852256883	DE	On-Demand	Anodyne	PDS	17	40
O=C(NOC1CCOCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852256887	EF	On-Demand	Anodyne	KCNH2	44	44
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256900	GF	On-Demand	Anodyne	SLC6A3	15	44
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256900	GF	On-Demand	Anodyne	ADRB3	16	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256900	GF	On-Demand	Anodyne	TACR2	40	36
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256900	GF	On-Demand	Anodyne	EPHX2	33	48
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256901	GF	On-Demand	Anodyne	SLC6A3	15	44
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256901	GF	On-Demand	Anodyne	ADRB3	16	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256901	GF	On-Demand	Anodyne	TACR2	40	36
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256901	GF	On-Demand	Anodyne	EPHX2	33	48
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256902	GF	On-Demand	Anodyne	SLC6A3	15	44
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256902	GF	On-Demand	Anodyne	ADRB3	16	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256902	GF	On-Demand	Anodyne	TACR2	40	36
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256902	GF	On-Demand	Anodyne	EPHX2	33	48
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256903	GF	On-Demand	Anodyne	SLC6A3	15	44
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256903	GF	On-Demand	Anodyne	ADRB3	16	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256903	GF	On-Demand	Anodyne	TACR2	40	36
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852256903	GF	On-Demand	Anodyne	EPHX2	33	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCN3CCN(C)CC3)C2)cc1	ZINC000852256917	GD	On-Demand	Clean	DRD4	42	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCN3CCN(C)CC3)C2)cc1	ZINC000852256917	GD	On-Demand	Clean	HTR7	16	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCN3CCN(C)CC3)C2)cc1	ZINC000852256919	GD	On-Demand	Clean	DRD4	42	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCN3CCN(C)CC3)C2)cc1	ZINC000852256919	GD	On-Demand	Clean	HTR7	16	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852256970	ED	On-Demand	Anodyne	CHRM1	18	48
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852256970	ED	On-Demand	Anodyne	P2RY12	70	37
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852256970	ED	On-Demand	Anodyne	CCR8	44	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852256970	ED	On-Demand	Anodyne	BIRC2	26	47
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852256972	ED	On-Demand	Anodyne	CHRM1	18	48
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852256972	ED	On-Demand	Anodyne	P2RY12	70	37
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852256972	ED	On-Demand	Anodyne	CCR8	44	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852256972	ED	On-Demand	Anodyne	BIRC2	26	47
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)C1	ZINC000852256974	ED	On-Demand	Anodyne	CHRM1	18	48
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)C1	ZINC000852256974	ED	On-Demand	Anodyne	P2RY12	70	37
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)C1	ZINC000852256974	ED	On-Demand	Anodyne	CCR8	44	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)C1	ZINC000852256974	ED	On-Demand	Anodyne	BIRC2	26	47
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)C1	ZINC000852256976	ED	On-Demand	Anodyne	CHRM1	18	48
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)C1	ZINC000852256976	ED	On-Demand	Anodyne	P2RY12	70	37
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)C1	ZINC000852256976	ED	On-Demand	Anodyne	CCR8	44	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)C1	ZINC000852256976	ED	On-Demand	Anodyne	BIRC2	26	47
CCOC(=O)N1CC[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1	ZINC000852256994	FC	On-Demand	Anodyne	EPHX2	21	40
CCOC(=O)N1CC[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1	ZINC000852256996	FC	On-Demand	Anodyne	EPHX2	21	40
CCOC(=O)N1CC[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1	ZINC000852256998	FC	On-Demand	Anodyne	EPHX2	21	40
CCOC(=O)N1CC[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1	ZINC000852257000	FC	On-Demand	Anodyne	EPHX2	21	40
COc1cccc(OC)c1CNC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852257012	FF	On-Demand	Anodyne	TRPV1	30	46
COc1cccc(OC)c1CNC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852257012	FF	On-Demand	Anodyne	MT-ND1	24	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852257014	GD	On-Demand	Clean	EPHX2	26	46
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852257014	GD	On-Demand	Clean	CCR8	28	42
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852257016	GD	On-Demand	Clean	EPHX2	26	46
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852257016	GD	On-Demand	Clean	CCR8	28	42
CCOC(=O)N1CC[C@H](NC(=O)NCCOCCF)C1	ZINC000852257041	CC	On-Demand	Anodyne	EPHX2	21	41
CCOC(=O)N1CC[C@@H](NC(=O)NCCOCCF)C1	ZINC000852257042	CC	On-Demand	Anodyne	EPHX2	21	41
CCOC(=O)N1CC[C@@H](NC(=O)NCC2(C#N)CCCCC2)C1	ZINC000852257047	DD	On-Demand	Mild	EPHX2	18	40
CCOC(=O)N1CC[C@H](NC(=O)NCC2(C#N)CCCCC2)C1	ZINC000852257048	DD	On-Demand	Mild	EPHX2	18	40
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852257053	FD	On-Demand	Anodyne	HTR4	20	40
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852257053	FD	On-Demand	Anodyne	CACNA1I	47	34
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852257104	FD	On-Demand	Anodyne	HTR4	20	40
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852257104	FD	On-Demand	Anodyne	CACNA1I	47	34
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	CHRM1	16	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	DRD2	20	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	DRD4	20	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	SIGMAR1	26	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	EPHX2	32	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	TGM2	27	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	F13A1	26	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	CCR8	72	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	BIRC2	15	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257120	FD	On-Demand	Anodyne	MBTPS1	41	31
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	CHRM1	16	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	DRD2	20	42
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	DRD4	20	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	SIGMAR1	26	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	EPHX2	32	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	TGM2	27	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	F13A1	26	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	CCR8	72	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	BIRC2	15	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852257121	FD	On-Demand	Anodyne	MBTPS1	41	31
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	CHRM1	16	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	DRD2	20	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	DRD4	20	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	SIGMAR1	26	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	EPHX2	32	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	TGM2	27	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	F13A1	26	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	CCR8	72	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	BIRC2	15	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257123	FD	On-Demand	Anodyne	MBTPS1	41	31
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	CHRM1	16	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	DRD2	20	42
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	DRD4	20	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	SIGMAR1	26	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	EPHX2	32	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	TGM2	27	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	F13A1	26	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	CCR8	72	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	BIRC2	15	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852257125	FD	On-Demand	Anodyne	MBTPS1	41	31
CC(C)c1cccc(CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852257166	FH	On-Demand	Anodyne	PDS	31	40
CC(C)c1cccc(CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852257168	FH	On-Demand	Anodyne	PDS	31	40
Cc1ccncc1CCNC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852257192	EF	On-Demand	Anodyne	NAMPT	27	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@]2(C)OC)C1	ZINC000852257212	CC	On-Demand	Anodyne	EPHX2	22	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@]2(C)OC)C1	ZINC000852257213	CC	On-Demand	Anodyne	EPHX2	22	42
CCOC(=O)N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852257218	ED	On-Demand	Reactive	EPHX2	27	41
CCOC(=O)N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852257218	ED	On-Demand	Reactive	CCR8	45	41
CCOC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852257219	ED	On-Demand	Reactive	EPHX2	27	41
CCOC(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852257219	ED	On-Demand	Reactive	CCR8	45	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)C1	ZINC000852257254	EE	On-Demand	Anodyne	EPHX2	27	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)C1	ZINC000852257254	EE	On-Demand	Anodyne	CCR8	52	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)C1	ZINC000852257255	EE	On-Demand	Anodyne	EPHX2	27	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)C1	ZINC000852257255	EE	On-Demand	Anodyne	CCR8	52	42
O=C(NCCCCCCOc1ccc(Cl)cc1)N[C@H]1CCNC1=O	ZINC000852257271	FE	On-Demand	Anodyne	TRAR	21	40
O=C(NCCCCCCOc1ccc(Cl)cc1)N[C@@H]1CCNC1=O	ZINC000852257272	FE	On-Demand	Anodyne	TRAR	21	40
COc1cccc([C@]2(C)CCN(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)C2)c1	ZINC000852257281	GG	On-Demand	Anodyne	DRD4	42	32
CN(Cc1cnc[nH]1)C(=O)NCCCCCCOc1ccc(Cl)cc1	ZINC000852257289	FH	On-Demand	Anodyne	TAAR1	24	41
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2noc3ccccc23)C1	ZINC000852257292	ED	On-Demand	Anodyne	CCR8	60	42
CCOC(=O)N1CC[C@H](NC(=O)NCCc2noc3ccccc23)C1	ZINC000852257293	ED	On-Demand	Anodyne	CCR8	60	42
CCOC(=O)N1CC[C@@H](NC(=O)NCC2(S(C)(=O)=O)CCCCC2)C1	ZINC000852257296	GD	On-Demand	Anodyne	CCR8	23	40
CCOC(=O)N1CC[C@H](NC(=O)NCC2(S(C)(=O)=O)CCCCC2)C1	ZINC000852257297	GD	On-Demand	Anodyne	CCR8	23	40
O=C(NCCCCCCOc1ccc(Cl)cc1)NCc1ncccn1	ZINC000852257301	FH	On-Demand	Anodyne	PLA2G4B	43	31
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852257326	FE	On-Demand	Anodyne	EPHX2	48	37
CCOC(=O)N1CC[C@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1	ZINC000852257327	FE	On-Demand	Anodyne	EPHX2	48	37
CCOC(=O)N1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257339	GG	On-Demand	Anodyne	CHRM1	19	52
CCOC(=O)N1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257339	GG	On-Demand	Anodyne	KCNH2	43	41
CCOC(=O)N1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257339	GG	On-Demand	Anodyne	P2RY12	42	36
CCOC(=O)N1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257339	GG	On-Demand	Anodyne	PRSS2	41	32
CCOC(=O)N1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257339	GG	On-Demand	Anodyne	EPHX2	38	45
CCOC(=O)N1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257339	GG	On-Demand	Anodyne	CCR8	67	42
CCOC(=O)N1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257339	GG	On-Demand	Anodyne	BIRC2	15	43
CCOC(=O)N1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257340	GG	On-Demand	Anodyne	CHRM1	19	52
CCOC(=O)N1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257340	GG	On-Demand	Anodyne	KCNH2	43	41
CCOC(=O)N1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257340	GG	On-Demand	Anodyne	P2RY12	42	36
CCOC(=O)N1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257340	GG	On-Demand	Anodyne	PRSS2	41	32
CCOC(=O)N1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257340	GG	On-Demand	Anodyne	EPHX2	38	45
CCOC(=O)N1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257340	GG	On-Demand	Anodyne	CCR8	67	42
CCOC(=O)N1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852257340	GG	On-Demand	Anodyne	BIRC2	15	43
CCOC(=O)N1CC[C@H](NC(=O)N[C@H](C)COc2c(F)cccc2F)C1	ZINC000852257345	FE	On-Demand	Anodyne	CCR8	32	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@H](C)COc2c(F)cccc2F)C1	ZINC000852257345	FE	On-Demand	Anodyne	BIRC2	20	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)COc2c(F)cccc2F)C1	ZINC000852257346	FE	On-Demand	Anodyne	CCR8	32	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)COc2c(F)cccc2F)C1	ZINC000852257346	FE	On-Demand	Anodyne	BIRC2	20	43
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](C)COc2c(F)cccc2F)C1	ZINC000852257347	FE	On-Demand	Anodyne	CCR8	32	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](C)COc2c(F)cccc2F)C1	ZINC000852257347	FE	On-Demand	Anodyne	BIRC2	20	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](C)COc2c(F)cccc2F)C1	ZINC000852257348	FE	On-Demand	Anodyne	CCR8	32	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](C)COc2c(F)cccc2F)C1	ZINC000852257348	FE	On-Demand	Anodyne	BIRC2	20	43
COC[C@@H](CCNC(=O)NCc1ccc(C(C)(C)O)cc1)OC	ZINC000852257421	DD	On-Demand	Anodyne	TRPV1	19	41
CCOC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)C1	ZINC000852257478	FD	On-Demand	Anodyne	BIRC2	31	43
CCOC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)C1	ZINC000852257479	FD	On-Demand	Anodyne	BIRC2	31	43
CCOC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)C1	ZINC000852257480	FD	On-Demand	Anodyne	BIRC2	31	43
CCOC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)C1	ZINC000852257482	FD	On-Demand	Anodyne	BIRC2	31	43
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852257483	FH	On-Demand	Anodyne	TRPV1	20	40
CC(C)c1ccc2c(c1)CN(C(=O)NOC1CCOCC1)CC2	ZINC000852257484	DF	On-Demand	Anodyne	MAPK1	32	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852257485	FH	On-Demand	Anodyne	TRPV1	20	40
CCOC(=O)N1CC[C@@H](NC(=O)N2CCc3c(cccc3C(N)=O)C2)C1	ZINC000852257487	FD	On-Demand	Anodyne	CCR8	40	39
CCOC(=O)N1CC[C@H](NC(=O)N2CCc3c(cccc3C(N)=O)C2)C1	ZINC000852257489	FD	On-Demand	Anodyne	CCR8	40	39
C=CCCNC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852257522	CE	On-Demand	Mild	TRPV1	18	46
CCOC(=O)N1CC[C@H](NC(=O)NC2CCC3(CC2)CC3(F)F)C1	ZINC000852257543	EE	On-Demand	Anodyne	EPHX2	30	45
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852257557	FF	On-Demand	Anodyne	EPHX2	40	51
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852257557	FF	On-Demand	Anodyne	CCR8	40	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852257558	FF	On-Demand	Anodyne	EPHX2	40	51
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852257558	FF	On-Demand	Anodyne	CCR8	40	43
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852257568	ED	On-Demand	Mild	EPHX2	22	41
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852257568	ED	On-Demand	Mild	CCR8	22	42
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852257569	ED	On-Demand	Mild	EPHX2	22	41
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852257569	ED	On-Demand	Mild	CCR8	22	42
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852257598	FE	On-Demand	Anodyne	EPHX2	34	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852257598	FE	On-Demand	Anodyne	CCR8	48	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852257599	FE	On-Demand	Anodyne	EPHX2	34	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)C1	ZINC000852257599	FE	On-Demand	Anodyne	CCR8	48	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852257600	FE	On-Demand	Anodyne	P2RY12	52	34
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852257600	FE	On-Demand	Anodyne	CCR8	81	44
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852257601	FE	On-Demand	Anodyne	P2RY12	52	34
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852257601	FE	On-Demand	Anodyne	CCR8	81	44
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852257602	FE	On-Demand	Anodyne	P2RY12	52	34
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852257602	FE	On-Demand	Anodyne	CCR8	81	44
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852257603	FE	On-Demand	Anodyne	P2RY12	52	34
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852257603	FE	On-Demand	Anodyne	CCR8	81	44
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccoc2)C1	ZINC000852257610	CD	On-Demand	Anodyne	EPHX2	22	40
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccoc2)C1	ZINC000852257610	CD	On-Demand	Anodyne	CCR8	24	42
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccoc2)C1	ZINC000852257611	CD	On-Demand	Anodyne	EPHX2	22	40
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccoc2)C1	ZINC000852257611	CD	On-Demand	Anodyne	CCR8	24	42
CCOC(=O)N1CC[C@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852257626	FE	On-Demand	Anodyne	MTNR1A	25	40
CCOC(=O)N1CC[C@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852257626	FE	On-Demand	Anodyne	MTNR1B	21	40
CCOC(=O)N1CC[C@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852257626	FE	On-Demand	Anodyne	CCR8	84	44
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852257627	FE	On-Demand	Anodyne	MTNR1A	25	40
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852257627	FE	On-Demand	Anodyne	MTNR1B	21	40
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852257627	FE	On-Demand	Anodyne	CCR8	84	44
CC(C)c1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852257700	CF	On-Demand	Anodyne	ANPEP	15	41
CC(C)c1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852257700	CF	On-Demand	Anodyne	PDS	51	44
CCOC(=O)N1CC[C@@H](NC(=O)NC2CCC3(CC2)CC3(F)F)C1	ZINC000852257704	EE	On-Demand	Anodyne	EPHX2	30	45
CCOC(=O)N1CC[C@@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257736	FF	On-Demand	Anodyne	P2RY12	43	33
CCOC(=O)N1CC[C@@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257736	FF	On-Demand	Anodyne	EPHX2	42	44
CCOC(=O)N1CC[C@@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257736	FF	On-Demand	Anodyne	CCR8	81	41
CCOC(=O)N1CC[C@@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257736	FF	On-Demand	Anodyne	SFRP1	72	34
CCOC(=O)N1CC[C@@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257736	FF	On-Demand	Anodyne	WNT3	52	34
CCOC(=O)N1CC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257738	FF	On-Demand	Anodyne	P2RY12	43	33
CCOC(=O)N1CC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257738	FF	On-Demand	Anodyne	EPHX2	42	44
CCOC(=O)N1CC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257738	FF	On-Demand	Anodyne	CCR8	81	41
CCOC(=O)N1CC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257738	FF	On-Demand	Anodyne	SFRP1	72	34
CCOC(=O)N1CC[C@H](NC(=O)NCC(F)(F)c2ccccc2C)C1	ZINC000852257738	FF	On-Demand	Anodyne	WNT3	52	34
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(C)(C)O)cc3)C2)cc1	ZINC000852257759	GG	On-Demand	Clean	MCHR1	24	51
O=C(NCCc1ccnc2ccccc12)NOC1CCOCC1	ZINC000852257760	DE	On-Demand	Anodyne	MTNR1A	24	41
O=C(NCCc1ccnc2ccccc12)NOC1CCOCC1	ZINC000852257760	DE	On-Demand	Anodyne	MTNR1B	16	41
O=C(NCc1ccc(-c2cccs2)cc1)NOC1CCOCC1	ZINC000852257803	EG	On-Demand	Anodyne	HDAC1	17	49
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(-c3ccccc3OC)no2)C1	ZINC000852257805	GE	On-Demand	Anodyne	P2RY12	106	35
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(-c3ccccc3OC)no2)C1	ZINC000852257806	GE	On-Demand	Anodyne	P2RY12	106	35
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257810	FE	On-Demand	Anodyne	CHRM1	24	51
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257810	FE	On-Demand	Anodyne	P2RY12	63	36
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257810	FE	On-Demand	Anodyne	EPHX2	31	40
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257810	FE	On-Demand	Anodyne	CCR8	89	45
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257810	FE	On-Demand	Anodyne	BIRC2	17	44
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257810	FE	On-Demand	Anodyne	SFRP1	80	37
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257810	FE	On-Demand	Anodyne	WNT3	60	37
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257811	FE	On-Demand	Anodyne	CHRM1	24	51
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257811	FE	On-Demand	Anodyne	P2RY12	63	36
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257811	FE	On-Demand	Anodyne	EPHX2	31	40
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257811	FE	On-Demand	Anodyne	CCR8	89	45
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257811	FE	On-Demand	Anodyne	BIRC2	17	44
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257811	FE	On-Demand	Anodyne	SFRP1	80	37
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852257811	FE	On-Demand	Anodyne	WNT3	60	37
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257812	FE	On-Demand	Anodyne	CHRM1	24	51
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257812	FE	On-Demand	Anodyne	P2RY12	63	36
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257812	FE	On-Demand	Anodyne	EPHX2	31	40
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257812	FE	On-Demand	Anodyne	CCR8	89	45
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257812	FE	On-Demand	Anodyne	BIRC2	17	44
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257812	FE	On-Demand	Anodyne	SFRP1	80	37
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257812	FE	On-Demand	Anodyne	WNT3	60	37
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257813	FE	On-Demand	Anodyne	CHRM1	24	51
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257813	FE	On-Demand	Anodyne	P2RY12	63	36
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257813	FE	On-Demand	Anodyne	EPHX2	31	40
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257813	FE	On-Demand	Anodyne	CCR8	89	45
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257813	FE	On-Demand	Anodyne	BIRC2	17	44
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257813	FE	On-Demand	Anodyne	SFRP1	80	37
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852257813	FE	On-Demand	Anodyne	WNT3	60	37
COC(=O)N(C)CCNC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852257814	DD	On-Demand	Anodyne	TRPV1	15	42
CCOC(=O)N1CC[C@H](NC(=O)NCCC2SCCS2)C1	ZINC000852257815	ED	On-Demand	Anodyne	EPHX2	15	41
CCOC(=O)N1CC[C@@H](NC(=O)NCCC2SCCS2)C1	ZINC000852257816	ED	On-Demand	Anodyne	EPHX2	15	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)C1	ZINC000852257819	GC	On-Demand	Anodyne	CCR8	63	43
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)C1	ZINC000852257820	GC	On-Demand	Anodyne	CCR8	63	43
CCOC(=O)N1CC[C@@H](NC(=O)NCCCc2ccco2)C1	ZINC000852257828	DD	On-Demand	Anodyne	EPHX2	20	40
CCOC(=O)N1CC[C@@H](NC(=O)NCCCc2ccco2)C1	ZINC000852257828	DD	On-Demand	Anodyne	CCR8	25	41
CCOC(=O)N1CC[C@H](NC(=O)NCCCc2ccco2)C1	ZINC000852257829	DD	On-Demand	Anodyne	EPHX2	20	40
CCOC(=O)N1CC[C@H](NC(=O)NCCCc2ccco2)C1	ZINC000852257829	DD	On-Demand	Anodyne	CCR8	25	41
CCOC(=O)N1CC[C@@H](NC(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)C1	ZINC000852257836	FF	On-Demand	Anodyne	CCR8	16	41
CCOC(=O)N1CC[C@H](NC(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)C1	ZINC000852257837	FF	On-Demand	Anodyne	CCR8	16	41
CCOC(=O)N1CC[C@@H](NC(=O)N2CC3(CCC3)[C@H]2c2ccncc2)C1	ZINC000852257838	FF	On-Demand	Anodyne	CCR8	16	41
CCOC(=O)N1CC[C@H](NC(=O)N2CC3(CCC3)[C@H]2c2ccncc2)C1	ZINC000852257839	FF	On-Demand	Anodyne	CCR8	16	41
CCOC(=O)N1CC[C@H](NC(=O)N(CC)CCOc2ccccc2OC)C1	ZINC000852257848	GE	On-Demand	Anodyne	P2RY12	77	35
CCOC(=O)N1CC[C@H](NC(=O)N(CC)CCOc2ccccc2OC)C1	ZINC000852257848	GE	On-Demand	Anodyne	CCR8	43	40
CCOC(=O)N1CC[C@@H](NC(=O)N(CC)CCOc2ccccc2OC)C1	ZINC000852257849	GE	On-Demand	Anodyne	P2RY12	77	35
CCOC(=O)N1CC[C@@H](NC(=O)N(CC)CCOc2ccccc2OC)C1	ZINC000852257849	GE	On-Demand	Anodyne	CCR8	43	40
CCOC(=O)N1CC[C@H](NC(=O)NCCC(C)(C)F)C1	ZINC000852257864	CD	On-Demand	Anodyne	EPHX2	30	42
CCOC(=O)N1CC[C@@H](NC(=O)NCCC(C)(C)F)C1	ZINC000852257865	CD	On-Demand	Anodyne	EPHX2	30	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H](CC)Cc2ccc(F)cc2)C1	ZINC000852257871	FF	On-Demand	Anodyne	CCR3	51	38
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](CC)Cc2ccc(F)cc2)C1	ZINC000852257872	FF	On-Demand	Anodyne	CCR3	51	38
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](CC)Cc2ccc(F)cc2)C1	ZINC000852257873	FF	On-Demand	Anodyne	CCR3	51	38
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](CC)Cc2ccc(F)cc2)C1	ZINC000852257874	FF	On-Demand	Anodyne	CCR3	51	38
O=C(NCc1cccnc1N1CCCC1)NOC1CCOCC1	ZINC000852257955	DD	On-Demand	Anodyne	SCN2A	17	43
O=C(NCc1cccnc1N1CCCC1)NOC1CCOCC1	ZINC000852257955	DD	On-Demand	Anodyne	SCN10A	23	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCOCC1	ZINC000852258019	ED	On-Demand	Anodyne	ACHE	28	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCOCC1	ZINC000852258019	ED	On-Demand	Anodyne	HTR4	52	39
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCOCC1	ZINC000852258019	ED	On-Demand	Anodyne	SIGMAR1	24	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCOCC1	ZINC000852258019	ED	On-Demand	Anodyne	CCR3	17	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCOCC1	ZINC000852258019	ED	On-Demand	Anodyne	CACNA1I	61	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852258057	CC	On-Demand	Anodyne	GRIN2B	21	43
CCOC(=O)N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852258057	CC	On-Demand	Anodyne	EPHX2	33	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852258057	CC	On-Demand	Anodyne	CCR8	30	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852258058	CC	On-Demand	Anodyne	GRIN2B	21	43
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852258058	CC	On-Demand	Anodyne	EPHX2	33	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852258058	CC	On-Demand	Anodyne	CCR8	30	41
CCOC(=O)N1CC[C@H](NC(=O)NC2CC(C)(C)C2)C1	ZINC000852258066	CD	On-Demand	Anodyne	EPHX2	30	49
CCOC(=O)N1CC[C@@H](NC(=O)NC2CC(C)(C)C2)C1	ZINC000852258067	CD	On-Demand	Anodyne	EPHX2	30	49
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852258115	FF	On-Demand	Anodyne	CNR1	34	42
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852258115	FF	On-Demand	Anodyne	MC4R	74	40
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852258115	FF	On-Demand	Anodyne	NPY2R	41	39
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852258115	FF	On-Demand	Anodyne	MAPK1	43	33
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852258115	FF	On-Demand	Anodyne	EPHX2	15	44
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852258115	FF	On-Demand	Anodyne	RBP4	15	46
O=C(NOC1CCOCC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852258115	FF	On-Demand	Anodyne	AKR1C3	15	62
CCOC(=O)N1CC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852258126	EF	On-Demand	Anodyne	CCR8	53	41
CCOC(=O)N1CC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852258126	EF	On-Demand	Anodyne	BIRC2	18	44
CCOC(=O)N1CC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852258127	EF	On-Demand	Anodyne	CCR8	53	41
CCOC(=O)N1CC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852258127	EF	On-Demand	Anodyne	BIRC2	18	44
CCOC(=O)N1CC[C@@H](NC(=O)NCC(F)(F)c2ccc(F)cc2)C1	ZINC000852258147	FE	On-Demand	Anodyne	EPHX2	42	44
CCOC(=O)N1CC[C@H](NC(=O)NCC(F)(F)c2ccc(F)cc2)C1	ZINC000852258148	FE	On-Demand	Anodyne	EPHX2	42	44
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(C(=O)OC)cc2F)C1	ZINC000852258152	FD	On-Demand	Anodyne	EPHX2	35	42
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(C(=O)OC)cc2F)C1	ZINC000852258153	FD	On-Demand	Anodyne	EPHX2	35	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258184	FD	On-Demand	Anodyne	ACE	27	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258184	FD	On-Demand	Anodyne	PYGL	32	44
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258184	FD	On-Demand	Anodyne	PYGM	28	44
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258184	FD	On-Demand	Anodyne	TPP2	40	32
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258184	FD	On-Demand	Anodyne	CCR8	31	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258185	FD	On-Demand	Anodyne	ACE	27	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258185	FD	On-Demand	Anodyne	PYGL	32	44
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258185	FD	On-Demand	Anodyne	PYGM	28	44
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258185	FD	On-Demand	Anodyne	TPP2	40	32
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258185	FD	On-Demand	Anodyne	CCR8	31	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258186	FD	On-Demand	Anodyne	ACE	27	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258186	FD	On-Demand	Anodyne	PYGL	32	44
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258186	FD	On-Demand	Anodyne	PYGM	28	44
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258186	FD	On-Demand	Anodyne	TPP2	40	32
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258186	FD	On-Demand	Anodyne	CCR8	31	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258187	FD	On-Demand	Anodyne	ACE	27	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258187	FD	On-Demand	Anodyne	PYGL	32	44
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258187	FD	On-Demand	Anodyne	PYGM	28	44
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258187	FD	On-Demand	Anodyne	TPP2	40	32
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852258187	FD	On-Demand	Anodyne	CCR8	31	41
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	DRD4	24	41
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	ACHE	23	42
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	HTR4	36	42
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	GRIN2B	21	44
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	SIGMAR1	25	40
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	SSTR5	74	41
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	CCR3	31	40
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	EPHX2	26	41
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	MCHR1	38	43
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	CACNA1I	61	42
CCOC(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258189	GD	On-Demand	Anodyne	CCR8	30	42
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	DRD4	24	41
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	ACHE	23	42
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	HTR4	36	42
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	GRIN2B	21	44
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	SIGMAR1	25	40
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	SSTR5	74	41
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	CCR3	31	40
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	EPHX2	26	41
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	MCHR1	38	43
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	CACNA1I	61	42
CCOC(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852258190	GD	On-Demand	Anodyne	CCR8	30	42
CCOC(=O)N1CC[C@H](NC(=O)N(Cc2ccccc2F)CC2CC2)C1	ZINC000852258193	FF	On-Demand	Anodyne	GRIN2B	17	41
CCOC(=O)N1CC[C@@H](NC(=O)N(Cc2ccccc2F)CC2CC2)C1	ZINC000852258194	FF	On-Demand	Anodyne	GRIN2B	17	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccccc2F)C(C)C)C1	ZINC000852258201	FG	On-Demand	Anodyne	P2RY12	46	34
CCOC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccccc2F)C(C)C)C1	ZINC000852258201	FG	On-Demand	Anodyne	BIRC2	25	46
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2F)C(C)C)C1	ZINC000852258202	FG	On-Demand	Anodyne	P2RY12	46	34
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](c2ccccc2F)C(C)C)C1	ZINC000852258202	FG	On-Demand	Anodyne	BIRC2	25	46
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](c2ccccc2F)C(C)C)C1	ZINC000852258203	FG	On-Demand	Anodyne	P2RY12	46	34
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](c2ccccc2F)C(C)C)C1	ZINC000852258203	FG	On-Demand	Anodyne	BIRC2	25	46
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccccc2F)C(C)C)C1	ZINC000852258204	FG	On-Demand	Anodyne	P2RY12	46	34
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccccc2F)C(C)C)C1	ZINC000852258204	FG	On-Demand	Anodyne	BIRC2	25	46
CCOC(=O)N1CC[C@H](NC(=O)NCC[C@@]2(C)CC2(F)F)C1	ZINC000852258207	DD	On-Demand	Anodyne	EPHX2	18	42
CCOC(=O)N1CC[C@H](NC(=O)NCC[C@]2(C)CC2(F)F)C1	ZINC000852258208	DD	On-Demand	Anodyne	EPHX2	18	42
CCOC(=O)N1CC[C@@H](NC(=O)NCC[C@@]2(C)CC2(F)F)C1	ZINC000852258209	DD	On-Demand	Anodyne	EPHX2	18	42
CCOC(=O)N1CC[C@@H](NC(=O)NCC[C@]2(C)CC2(F)F)C1	ZINC000852258210	DD	On-Demand	Anodyne	EPHX2	18	42
CCOC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)C(O)(CC)CC)C1	ZINC000852258239	EE	On-Demand	Anodyne	EPHX2	23	43
CCOC(=O)N1CC[C@H](NC(=O)NCC(C)(C)C(O)(CC)CC)C1	ZINC000852258240	EE	On-Demand	Anodyne	EPHX2	23	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2COC(C)(C)C2)C1	ZINC000852258257	CD	On-Demand	Anodyne	EPHX2	19	44
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2COC(C)(C)C2)C1	ZINC000852258258	CD	On-Demand	Anodyne	EPHX2	19	44
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2COC(C)(C)C2)C1	ZINC000852258259	CD	On-Demand	Anodyne	EPHX2	19	44
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2COC(C)(C)C2)C1	ZINC000852258260	CD	On-Demand	Anodyne	EPHX2	19	44
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCCNC3=O)cc2)C1	ZINC000852258274	GD	On-Demand	Anodyne	EPHX2	15	44
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCCNC3=O)cc2)C1	ZINC000852258275	GD	On-Demand	Anodyne	EPHX2	15	44
CCOC(=O)N1CC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852258302	GF	On-Demand	Anodyne	GHRHR	54	33
CCOC(=O)N1CC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852258302	GF	On-Demand	Anodyne	EPHX2	24	55
CCOC(=O)N1CC[C@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852258302	GF	On-Demand	Anodyne	TRPM8	22	48
CCOC(=O)N1CC[C@@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852258303	GF	On-Demand	Anodyne	GHRHR	54	33
CCOC(=O)N1CC[C@@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852258303	GF	On-Demand	Anodyne	EPHX2	24	55
CCOC(=O)N1CC[C@@H](NC(=O)N2CCC3(CCc4ccccc4O3)CC2)C1	ZINC000852258303	GF	On-Demand	Anodyne	TRPM8	22	48
CCOC(=O)N1CC[C@H](NC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)C1	ZINC000852258314	GD	On-Demand	Anodyne	EPHX2	18	42
CCOC(=O)N1CC[C@@H](NC(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)C1	ZINC000852258315	GD	On-Demand	Anodyne	EPHX2	18	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3nn(C)c4ccccc34)C2)cc1	ZINC000852258318	GF	On-Demand	Clean	MTNR1A	33	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3nn(C)c4ccccc34)C2)cc1	ZINC000852258318	GF	On-Demand	Clean	MTNR1B	24	44
C[C@@H](CCN1CCN(C)CC1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852258343	ED	On-Demand	Reactive	F10	29	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCCc3c(C)cccc32)C1	ZINC000852258354	EF	On-Demand	Anodyne	CCR8	54	39
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCc3c(C)cccc32)C1	ZINC000852258355	EF	On-Demand	Anodyne	CCR8	54	39
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCc3c(C)cccc32)C1	ZINC000852258356	EF	On-Demand	Anodyne	CCR8	54	39
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCc3c(C)cccc32)C1	ZINC000852258357	EF	On-Demand	Anodyne	CCR8	54	39
COC(=O)N(C)CCNC(=O)NCCc1cn(C)c2cc(F)ccc12	ZINC000852258391	FD	On-Demand	Anodyne	MTNR1A	15	44
CCOC(=O)N1CC[C@@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852258393	FD	On-Demand	Anodyne	MTNR1B	17	40
CCOC(=O)N1CC[C@@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852258393	FD	On-Demand	Anodyne	EPHX2	41	40
CCOC(=O)N1CC[C@@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852258393	FD	On-Demand	Anodyne	CCR8	37	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852258394	FD	On-Demand	Anodyne	MTNR1B	17	40
CCOC(=O)N1CC[C@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852258394	FD	On-Demand	Anodyne	EPHX2	41	40
CCOC(=O)N1CC[C@H](NC(=O)NCc2c(OC)cccc2OC)C1	ZINC000852258394	FD	On-Demand	Anodyne	CCR8	37	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCC3CC3)C2)cc1	ZINC000852258404	EG	On-Demand	Clean	MCHR1	16	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCC3CC3)C2)cc1	ZINC000852258405	EG	On-Demand	Clean	MCHR1	16	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852258411	DD	On-Demand	Anodyne	EPHX2	15	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852258412	DD	On-Demand	Anodyne	EPHX2	15	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)C1	ZINC000852258413	DD	On-Demand	Anodyne	EPHX2	15	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)C1	ZINC000852258414	DD	On-Demand	Anodyne	EPHX2	15	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852258417	ED	On-Demand	Anodyne	EPHX2	29	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852258417	ED	On-Demand	Anodyne	CCR8	26	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852258418	ED	On-Demand	Anodyne	EPHX2	29	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852258418	ED	On-Demand	Anodyne	CCR8	26	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852258419	ED	On-Demand	Anodyne	EPHX2	29	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852258419	ED	On-Demand	Anodyne	CCR8	26	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852258420	ED	On-Demand	Anodyne	EPHX2	29	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852258420	ED	On-Demand	Anodyne	CCR8	26	42
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258421	FE	On-Demand	Anodyne	SSTR5	42	34
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258421	FE	On-Demand	Anodyne	ADAM17	44	39
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258421	FE	On-Demand	Anodyne	MTNR1A	27	41
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258421	FE	On-Demand	Anodyne	MTNR1B	20	41
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258421	FE	On-Demand	Anodyne	CCR8	63	44
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258422	FE	On-Demand	Anodyne	SSTR5	42	34
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258422	FE	On-Demand	Anodyne	ADAM17	44	39
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258422	FE	On-Demand	Anodyne	MTNR1A	27	41
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258422	FE	On-Demand	Anodyne	MTNR1B	20	41
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852258422	FE	On-Demand	Anodyne	CCR8	63	44
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852258438	FD	On-Demand	Anodyne	GRIN2B	17	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852258438	FD	On-Demand	Anodyne	EPHX2	38	47
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852258438	FD	On-Demand	Anodyne	CCR8	43	45
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852258439	FD	On-Demand	Anodyne	GRIN2B	17	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852258439	FD	On-Demand	Anodyne	EPHX2	38	47
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852258439	FD	On-Demand	Anodyne	CCR8	43	45
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	CHRM1	21	50
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	P2RY12	61	37
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	LTA4H	21	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	PRSS2	44	35
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	SIGMAR1	15	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	SLC6A5	23	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	EPHX2	75	47
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	TGM2	23	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	F13A1	29	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	CCR8	64	46
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258445	EE	On-Demand	Anodyne	BIRC2	18	48
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	CHRM1	21	50
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	P2RY12	61	37
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	LTA4H	21	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	PRSS2	44	35
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	SIGMAR1	15	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	SLC6A5	23	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	EPHX2	75	47
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	TGM2	23	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	F13A1	29	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	CCR8	64	46
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852258446	EE	On-Demand	Anodyne	BIRC2	18	48
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2nsc3ccccc23)C1	ZINC000852258499	FE	On-Demand	Anodyne	CCR8	62	43
CCOC(=O)N1CC[C@H](NC(=O)NCCc2nsc3ccccc23)C1	ZINC000852258500	FE	On-Demand	Anodyne	CCR8	62	43
CCOC(=O)N1CC[C@H](NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852258523	EE	On-Demand	Anodyne	CCR8	47	40
CCOC(=O)N1CC[C@H](NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852258523	EE	On-Demand	Anodyne	MBTPS1	47	30
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852258524	EE	On-Demand	Anodyne	CCR8	47	40
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852258524	EE	On-Demand	Anodyne	MBTPS1	47	30
CCOC(=O)N1CC[C@@H](NC(=O)NCCO[C@@H]2CC2(F)F)C1	ZINC000852258544	DC	On-Demand	Anodyne	EPHX2	23	40
CCOC(=O)N1CC[C@H](NC(=O)NCCO[C@H]2CC2(F)F)C1	ZINC000852258546	DC	On-Demand	Anodyne	EPHX2	23	40
CCOC(=O)N1CC[C@H](NC(=O)NCCO[C@@H]2CC2(F)F)C1	ZINC000852258547	DC	On-Demand	Anodyne	EPHX2	23	40
CCOC(=O)N1CC[C@@H](NC(=O)NCCO[C@H]2CC2(F)F)C1	ZINC000852258548	DC	On-Demand	Anodyne	EPHX2	23	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@H](C)C(C)(C)CC)C1	ZINC000852258560	CE	On-Demand	Anodyne	EPHX2	19	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)CC)C1	ZINC000852258561	CE	On-Demand	Anodyne	EPHX2	19	43
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)CC)C1	ZINC000852258562	CE	On-Demand	Anodyne	EPHX2	19	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](C)C(C)(C)CC)C1	ZINC000852258564	CE	On-Demand	Anodyne	EPHX2	19	43
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(C)cc(C)c2)C1	ZINC000852258565	DE	On-Demand	Anodyne	EPHX2	34	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(C)cc(C)c2)C1	ZINC000852258565	DE	On-Demand	Anodyne	CCR8	31	42
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(C)cc(C)c2)C1	ZINC000852258566	DE	On-Demand	Anodyne	EPHX2	34	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(C)cc(C)c2)C1	ZINC000852258566	DE	On-Demand	Anodyne	CCR8	31	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852258567	FG	On-Demand	Anodyne	TRPV1	21	44
CCOC(=O)N1CC[C@@H](NC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852258579	FE	On-Demand	Anodyne	CCR2	56	41
CCOC(=O)N1CC[C@@H](NC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852258579	FE	On-Demand	Anodyne	EPHX2	34	46
CCOC(=O)N1CC[C@H](NC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852258580	FE	On-Demand	Anodyne	CCR2	56	41
CCOC(=O)N1CC[C@H](NC(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852258580	FE	On-Demand	Anodyne	EPHX2	34	46
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852258627	FE	On-Demand	Anodyne	EPHX2	42	40
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852258627	FE	On-Demand	Anodyne	SFRP1	67	33
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852258627	FE	On-Demand	Anodyne	WNT3	51	31
C[C@@H](CCC1CC1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852258628	CF	On-Demand	Reactive	F10	32	41
O=C(NCCCCCCOc1ccc(Cl)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852258629	GH	On-Demand	Anodyne	HRH3	16	40
O=C(NCCCCCCOc1ccc(Cl)cc1)N1CC[C@H]2COC[C@H]2C1	ZINC000852258629	GH	On-Demand	Anodyne	EPHX2	23	44
CCOC(=O)N1CC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852258630	FE	On-Demand	Anodyne	EPHX2	42	40
CCOC(=O)N1CC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852258630	FE	On-Demand	Anodyne	SFRP1	67	33
CCOC(=O)N1CC[C@H](NC(=O)NCc2cnccc2C(F)(F)F)C1	ZINC000852258630	FE	On-Demand	Anodyne	WNT3	51	31
O=C(NCCCCCCOc1ccc(Cl)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852258631	GH	On-Demand	Anodyne	HRH3	16	40
O=C(NCCCCCCOc1ccc(Cl)cc1)N1CC[C@@H]2COC[C@H]2C1	ZINC000852258631	GH	On-Demand	Anodyne	EPHX2	23	44
O=C(NCCCCCCOc1ccc(Cl)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852258632	GH	On-Demand	Anodyne	HRH3	16	40
O=C(NCCCCCCOc1ccc(Cl)cc1)N1CC[C@H]2COC[C@@H]2C1	ZINC000852258632	GH	On-Demand	Anodyne	EPHX2	23	44
O=C(NCCCCCCOc1ccc(Cl)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852258633	GH	On-Demand	Anodyne	HRH3	16	40
O=C(NCCCCCCOc1ccc(Cl)cc1)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852258633	GH	On-Demand	Anodyne	EPHX2	23	44
COC(=O)c1ccc(CNC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c(F)c1	ZINC000852258642	GE	On-Demand	Anodyne	BDKRB1	24	43
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](OC)C2CCCCC2)C1	ZINC000852258661	EE	On-Demand	Anodyne	EPHX2	17	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](OC)C2CCCCC2)C1	ZINC000852258662	EE	On-Demand	Anodyne	EPHX2	17	42
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](OC)C2CCCCC2)C1	ZINC000852258663	EE	On-Demand	Anodyne	EPHX2	17	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](OC)C2CCCCC2)C1	ZINC000852258664	EE	On-Demand	Anodyne	EPHX2	17	42
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852258665	DH	On-Demand	Anodyne	ANPEP	17	44
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(C(C)(C)O)cc1	ZINC000852258665	DH	On-Demand	Anodyne	TRPV1	18	42
COC1CC(CCNC(=O)NCc2ccc(C(C)(C)O)cc2)C1	ZINC000852258676	DF	On-Demand	Anodyne	TRPV1	15	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](OC)C2CCCC2)C1	ZINC000852258699	ED	On-Demand	Anodyne	EPHX2	17	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](OC)C2CCCC2)C1	ZINC000852258700	ED	On-Demand	Anodyne	EPHX2	17	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](OC)C2CCCC2)C1	ZINC000852258701	ED	On-Demand	Anodyne	EPHX2	17	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](OC)C2CCCC2)C1	ZINC000852258702	ED	On-Demand	Anodyne	EPHX2	17	40
CCOC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852258705	EC	On-Demand	Reactive	P2RY12	65	39
CCOC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852258705	EC	On-Demand	Reactive	CCR8	52	41
CCOC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852258706	EC	On-Demand	Reactive	P2RY12	65	39
CCOC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852258706	EC	On-Demand	Reactive	CCR8	52	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccc3c2OC(F)(F)O3)C1	ZINC000852258715	FE	On-Demand	Anodyne	EPHX2	24	40
CCOC(=O)N1CC[C@H](NC(=O)NCc2cccc3c2OC(F)(F)O3)C1	ZINC000852258716	FE	On-Demand	Anodyne	EPHX2	24	40
CCOC(=O)N1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852258722	FD	On-Demand	Anodyne	GRIN2B	21	42
CCOC(=O)N1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852258722	FD	On-Demand	Anodyne	EPHX2	37	45
CCOC(=O)N1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852258722	FD	On-Demand	Anodyne	SCN10A	18	40
CCOC(=O)N1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852258722	FD	On-Demand	Anodyne	BIRC2	18	43
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852258723	FD	On-Demand	Anodyne	GRIN2B	21	42
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852258723	FD	On-Demand	Anodyne	EPHX2	37	45
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852258723	FD	On-Demand	Anodyne	SCN10A	18	40
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852258723	FD	On-Demand	Anodyne	BIRC2	18	43
CCOC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)C1	ZINC000852258724	GF	On-Demand	Anodyne	CCR8	68	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)C1	ZINC000852258725	GF	On-Demand	Anodyne	CCR8	68	42
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)C1	ZINC000852258726	GF	On-Demand	Anodyne	CCR8	68	42
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)C1	ZINC000852258727	GF	On-Demand	Anodyne	CCR8	68	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](OCC)C2)C1	ZINC000852258736	CD	On-Demand	Anodyne	EPHX2	26	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](OCC)C2)C1	ZINC000852258737	CD	On-Demand	Anodyne	EPHX2	26	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	CHRM2	15	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	GRIN2B	16	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	MMP13	21	43
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	MTNR1B	16	53
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	MMP3	23	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	MMP9	17	43
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	EPHX2	34	50
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	ADAM9	16	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	MMP7	19	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	MMP1	19	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	MCHR1	15	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258765	GD	On-Demand	Clean	CCR8	32	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	CHRM2	15	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	GRIN2B	16	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	MMP13	21	43
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	MTNR1B	16	53
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	MMP3	23	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	MMP9	17	43
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	EPHX2	34	50
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	ADAM9	16	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	MMP7	19	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	MMP1	19	42
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	MCHR1	15	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258766	GD	On-Demand	Clean	CCR8	32	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	CHRM2	15	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	GRIN2B	16	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	MMP13	21	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	MTNR1B	16	53
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	MMP3	23	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	MMP9	17	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	EPHX2	34	50
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	ADAM9	16	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	MMP7	19	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	MMP1	19	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	MCHR1	15	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258767	GD	On-Demand	Clean	CCR8	32	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	CHRM2	15	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	GRIN2B	16	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	MMP13	21	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	MTNR1B	16	53
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	MMP3	23	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	MMP9	17	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	EPHX2	34	50
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	ADAM9	16	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	MMP7	19	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	MMP1	19	42
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	MCHR1	15	41
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852258769	GD	On-Demand	Clean	CCR8	32	40
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1	ZINC000852258799	GE	On-Demand	Anodyne	P2RY12	88	39
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1	ZINC000852258799	GE	On-Demand	Anodyne	EPHX2	16	42
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1	ZINC000852258799	GE	On-Demand	Anodyne	PDK1	43	36
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1	ZINC000852258801	GE	On-Demand	Anodyne	P2RY12	88	39
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1	ZINC000852258801	GE	On-Demand	Anodyne	EPHX2	16	42
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(-c3ccc(OC)cc3)no2)C1	ZINC000852258801	GE	On-Demand	Anodyne	PDK1	43	36
C[C@@H](CCC1CC1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852258813	EG	On-Demand	Clean	CCR3	41	35
CCOC(=O)N1CC[C@@H](NC(=O)NCCCC2CCC2)C1	ZINC000852258835	CE	On-Demand	Anodyne	EPHX2	24	46
CCOC(=O)N1CC[C@H](NC(=O)NCCCC2CCC2)C1	ZINC000852258837	CE	On-Demand	Anodyne	EPHX2	24	46
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1	ZINC000852258838	FD	On-Demand	Anodyne	EPHX2	24	49
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1	ZINC000852258838	FD	On-Demand	Anodyne	CCR8	16	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(C3CCCCC3)C2)C1	ZINC000852258840	FD	On-Demand	Anodyne	EPHX2	24	49
CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCN(C3CCCCC3)C2)C1	ZINC000852258840	FD	On-Demand	Anodyne	CCR8	16	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1	ZINC000852258842	FD	On-Demand	Anodyne	EPHX2	24	49
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1	ZINC000852258842	FD	On-Demand	Anodyne	CCR8	16	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(C3CCCCC3)C2)C1	ZINC000852258844	FD	On-Demand	Anodyne	EPHX2	24	49
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCN(C3CCCCC3)C2)C1	ZINC000852258844	FD	On-Demand	Anodyne	CCR8	16	40
CCOC(=O)N1CC[C@@H](NC(=O)NCCCOC(C)(C)C)C1	ZINC000852258859	DD	On-Demand	Anodyne	EPHX2	23	45
CCOC(=O)N1CC[C@H](NC(=O)NCCCOC(C)(C)C)C1	ZINC000852258861	DD	On-Demand	Anodyne	EPHX2	23	45
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCOCC1	ZINC000852258862	DF	On-Demand	Anodyne	CCR3	19	41
COc1cccc([C@]2(C)CCN(C(=O)NOC3CCOCC3)C2)c1	ZINC000852258911	EE	On-Demand	Anodyne	DRD4	40	31
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)[C@@H]1CCCO1	ZINC000852258989	ED	On-Demand	Mild	SCN2A	17	42
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)[C@@H]1CCCO1	ZINC000852258989	ED	On-Demand	Mild	SCN10A	19	42
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)[C@@H]1CCCO1	ZINC000852258990	ED	On-Demand	Mild	SCN2A	17	42
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)[C@@H]1CCCO1	ZINC000852258990	ED	On-Demand	Mild	SCN10A	19	42
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)[C@H]1CCCO1	ZINC000852258991	ED	On-Demand	Mild	SCN2A	17	42
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)[C@H]1CCCO1	ZINC000852258991	ED	On-Demand	Mild	SCN10A	19	42
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)[C@H]1CCCO1	ZINC000852258992	ED	On-Demand	Mild	SCN2A	17	42
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)[C@H]1CCCO1	ZINC000852258992	ED	On-Demand	Mild	SCN10A	19	42
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852259017	GD	On-Demand	Anodyne	PYGL	28	42
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852259017	GD	On-Demand	Anodyne	PYGM	27	42
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852259018	GD	On-Demand	Anodyne	PYGL	28	42
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852259018	GD	On-Demand	Anodyne	PYGM	27	42
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852259152	EE	On-Demand	Anodyne	SSTR5	45	41
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852259152	EE	On-Demand	Anodyne	EPHX2	29	40
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852259152	EE	On-Demand	Anodyne	TGM2	17	45
CCOC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852259152	EE	On-Demand	Anodyne	CCR8	30	42
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852259154	EE	On-Demand	Anodyne	SSTR5	45	41
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852259154	EE	On-Demand	Anodyne	EPHX2	29	40
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852259154	EE	On-Demand	Anodyne	TGM2	17	45
CCOC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C)c(C)c2)C1	ZINC000852259154	EE	On-Demand	Anodyne	CCR8	30	42
C[C@@]1(C#N)CCN(C(=O)NCCCCCCOc2ccc(Cl)cc2)C1	ZINC000852259192	FI	On-Demand	Mild	EPHX2	20	42
CCOC(=O)N1CC[C@H](NC(=O)N2CCc3cc(OC)ccc3C2)C1	ZINC000852259202	ED	On-Demand	Anodyne	CHRM2	15	40
CCOC(=O)N1CC[C@H](NC(=O)N2CCc3cc(OC)ccc3C2)C1	ZINC000852259202	ED	On-Demand	Anodyne	MMP13	17	40
CCOC(=O)N1CC[C@H](NC(=O)N2CCc3cc(OC)ccc3C2)C1	ZINC000852259202	ED	On-Demand	Anodyne	MTNR1A	26	42
CCOC(=O)N1CC[C@H](NC(=O)N2CCc3cc(OC)ccc3C2)C1	ZINC000852259202	ED	On-Demand	Anodyne	MTNR1B	29	42
CCOC(=O)N1CC[C@@H](NC(=O)N2CCc3cc(OC)ccc3C2)C1	ZINC000852259203	ED	On-Demand	Anodyne	CHRM2	15	40
CCOC(=O)N1CC[C@@H](NC(=O)N2CCc3cc(OC)ccc3C2)C1	ZINC000852259203	ED	On-Demand	Anodyne	MMP13	17	40
CCOC(=O)N1CC[C@@H](NC(=O)N2CCc3cc(OC)ccc3C2)C1	ZINC000852259203	ED	On-Demand	Anodyne	MTNR1A	26	42
CCOC(=O)N1CC[C@@H](NC(=O)N2CCc3cc(OC)ccc3C2)C1	ZINC000852259203	ED	On-Demand	Anodyne	MTNR1B	29	42
CCOC(=O)N1CC[C@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259218	GE	On-Demand	Anodyne	GHSR	21	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259218	GE	On-Demand	Anodyne	EPHX2	26	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259218	GE	On-Demand	Anodyne	TGM2	22	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259218	GE	On-Demand	Anodyne	F13A1	22	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259218	GE	On-Demand	Anodyne	CCR8	58	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259219	GE	On-Demand	Anodyne	GHSR	21	46
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259219	GE	On-Demand	Anodyne	EPHX2	26	41
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259219	GE	On-Demand	Anodyne	TGM2	22	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259219	GE	On-Demand	Anodyne	F13A1	22	40
CCOC(=O)N1CC[C@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259219	GE	On-Demand	Anodyne	CCR8	58	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259220	GE	On-Demand	Anodyne	GHSR	21	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259220	GE	On-Demand	Anodyne	EPHX2	26	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259220	GE	On-Demand	Anodyne	TGM2	22	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259220	GE	On-Demand	Anodyne	F13A1	22	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@](C)(COCc2ccccc2)OC)C1	ZINC000852259220	GE	On-Demand	Anodyne	CCR8	58	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259221	GE	On-Demand	Anodyne	GHSR	21	46
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259221	GE	On-Demand	Anodyne	EPHX2	26	41
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259221	GE	On-Demand	Anodyne	TGM2	22	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259221	GE	On-Demand	Anodyne	F13A1	22	40
CCOC(=O)N1CC[C@@H](NC(=O)NC[C@](C)(COCc2ccccc2)OC)C1	ZINC000852259221	GE	On-Demand	Anodyne	CCR8	58	46
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCOCC1	ZINC000852259255	EE	On-Demand	Anodyne	ADRB3	17	41
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCOCC1	ZINC000852259255	EE	On-Demand	Anodyne	MAPK1	41	37
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCOCC1	ZINC000852259256	EE	On-Demand	Anodyne	ADRB3	17	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCOCC1	ZINC000852259256	EE	On-Demand	Anodyne	MAPK1	41	37
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@@H]1CCCO1	ZINC000852259350	FF	On-Demand	Mild	TRPM8	22	47
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@H]1CCCO1	ZINC000852259352	FF	On-Demand	Mild	TRPM8	22	47
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@@H]1CCCO1	ZINC000852259355	FF	On-Demand	Mild	TRPM8	22	47
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@H]1CCCO1	ZINC000852259357	FF	On-Demand	Mild	TRPM8	22	47
CCC(CC)(CNC(=O)NOC1CCOCC1)c1ccc(F)cc1	ZINC000852259421	EG	On-Demand	Anodyne	CACNA1G	41	48
CCOC(=O)N1CC[C@H](NC(=O)N2CCC(c3ccco3)CC2)C1	ZINC000852259485	EE	On-Demand	Anodyne	CCR8	29	40
O=C(NOC1CCOCC1)N[C@H](CO)c1ccc(F)cc1F	ZINC000852259487	DD	On-Demand	Anodyne	MAPK1	62	37
O=C(NOC1CCOCC1)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852259488	DD	On-Demand	Anodyne	MAPK1	62	37
CCOC(=O)N1CC[C@@H](NC(=O)N2CCC(c3ccco3)CC2)C1	ZINC000852259490	EE	On-Demand	Anodyne	CCR8	29	40
CCOC(=O)N1CC[C@H](NC(=O)NCCC2CC(OC)C2)C1	ZINC000852259523	DD	On-Demand	Anodyne	EPHX2	19	43
CCOC(=O)N1CC[C@@H](NC(=O)NCCC2CC(OC)C2)C1	ZINC000852259524	DD	On-Demand	Anodyne	EPHX2	19	43
C=CCOCCCNC(=O)N[C@@H]1CCN(C(=O)OCC)C1	ZINC000852259525	CD	On-Demand	Mild	EPHX2	21	45
C=CCOCCCNC(=O)N[C@H]1CCN(C(=O)OCC)C1	ZINC000852259526	CD	On-Demand	Mild	EPHX2	21	45
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852259527	EE	On-Demand	Anodyne	EPHX2	42	50
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852259527	EE	On-Demand	Anodyne	CCR8	34	44
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852259528	EE	On-Demand	Anodyne	EPHX2	42	50
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852259528	EE	On-Demand	Anodyne	CCR8	34	44
O=C(NCC1CCN(CC2CC2)CC1)NOC1CCOCC1	ZINC000852259547	DD	On-Demand	Anodyne	CACNA1I	46	33
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	OPRK1	22	48
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	P2RY12	28	46
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	SIGMAR1	20	44
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	SSTR5	40	39
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	P2RX7	27	47
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	CCR3	45	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	UTS2R	23	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	SLC6A5	18	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	EPHX2	44	48
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259585	FG	On-Demand	Anodyne	CCR8	36	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	OPRK1	22	48
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	P2RY12	28	46
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	SIGMAR1	20	44
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	SSTR5	40	39
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	P2RX7	27	47
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	CCR3	45	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	UTS2R	23	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	SLC6A5	18	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	EPHX2	44	48
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)C1	ZINC000852259587	FG	On-Demand	Anodyne	CCR8	36	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc3occc3c2)C1	ZINC000852259661	EE	On-Demand	Anodyne	EPHX2	17	41
CCOC(=O)N1CC[C@@H](NC(=O)NCc2ccc3occc3c2)C1	ZINC000852259665	EE	On-Demand	Anodyne	EPHX2	17	41
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852259669	FF	On-Demand	Anodyne	CCR3	44	32
CCOC(=O)N1CC[C@H](NC(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852259672	FF	On-Demand	Anodyne	CCR3	44	32
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852259673	FF	On-Demand	Anodyne	CCR3	44	32
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCO1	ZINC000852259716	FD	On-Demand	Mild	ACHE	18	42
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCO1	ZINC000852259716	FD	On-Demand	Mild	CACNA1I	58	38
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCO1	ZINC000852259717	FD	On-Demand	Mild	ACHE	18	42
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCO1	ZINC000852259717	FD	On-Demand	Mild	CACNA1I	58	38
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H]1CCCO1	ZINC000852259718	FD	On-Demand	Mild	ACHE	18	42
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H]1CCCO1	ZINC000852259718	FD	On-Demand	Mild	CACNA1I	58	38
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H]1CCCO1	ZINC000852259719	FD	On-Demand	Mild	ACHE	18	42
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H]1CCCO1	ZINC000852259719	FD	On-Demand	Mild	CACNA1I	58	38
O=C(NOC1CCOCC1)N[C@H](CO)c1cccc(Cl)c1Cl	ZINC000852259749	EE	On-Demand	Anodyne	MAPK1	44	38
O=C(NOC1CCOCC1)N[C@@H](CO)c1cccc(Cl)c1Cl	ZINC000852259750	EE	On-Demand	Anodyne	MAPK1	44	38
C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)[C@@H]1CCCO1	ZINC000852259776	ED	On-Demand	Mild	PYGL	30	43
C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)[C@@H]1CCCO1	ZINC000852259776	ED	On-Demand	Mild	PYGM	28	43
C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)[C@@H]1CCCO1	ZINC000852259777	ED	On-Demand	Mild	PYGL	30	43
C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)[C@@H]1CCCO1	ZINC000852259777	ED	On-Demand	Mild	PYGM	28	43
C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)[C@H]1CCCO1	ZINC000852259778	ED	On-Demand	Mild	PYGL	30	43
C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)[C@H]1CCCO1	ZINC000852259778	ED	On-Demand	Mild	PYGM	28	43
C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)[C@H]1CCCO1	ZINC000852259779	ED	On-Demand	Mild	PYGL	30	43
C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)[C@H]1CCCO1	ZINC000852259779	ED	On-Demand	Mild	PYGM	28	43
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852259857	FF	On-Demand	Anodyne	CCR3	44	32
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)C1	ZINC000852259888	GF	On-Demand	Anodyne	MTNR1A	25	46
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)C1	ZINC000852259888	GF	On-Demand	Anodyne	MTNR1B	30	46
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)C1	ZINC000852259890	GF	On-Demand	Anodyne	MTNR1A	25	46
CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)C1	ZINC000852259890	GF	On-Demand	Anodyne	MTNR1B	30	46
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)C1	ZINC000852259891	GF	On-Demand	Anodyne	MTNR1A	25	46
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)C1	ZINC000852259891	GF	On-Demand	Anodyne	MTNR1B	30	46
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)C1	ZINC000852259892	GF	On-Demand	Anodyne	MTNR1A	25	46
CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)C1	ZINC000852259892	GF	On-Demand	Anodyne	MTNR1B	30	46
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](CC)C2CC2)C1	ZINC000852259917	CD	On-Demand	Anodyne	EPHX2	18	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@H](CC)C2CC2)C1	ZINC000852259918	CD	On-Demand	Anodyne	EPHX2	18	40
CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](CC)C2CC2)C1	ZINC000852259919	CD	On-Demand	Anodyne	EPHX2	18	40
CCOC(=O)N1CC[C@@H](NC(=O)N[C@H](CC)C2CC2)C1	ZINC000852259920	CD	On-Demand	Anodyne	EPHX2	18	40
CCOC(=O)N1CC[C@H](NC(=O)NCC[C@H](C)CC)C1	ZINC000852259928	CD	On-Demand	Anodyne	EPHX2	20	43
CCOC(=O)N1CC[C@@H](NC(=O)NCC[C@@H](C)CC)C1	ZINC000852259929	CD	On-Demand	Anodyne	EPHX2	20	43
CCOC(=O)N1CC[C@H](NC(=O)NCC[C@@H](C)CC)C1	ZINC000852259930	CD	On-Demand	Anodyne	EPHX2	20	43
CCOC(=O)N1CC[C@@H](NC(=O)NCC[C@H](C)CC)C1	ZINC000852259931	CD	On-Demand	Anodyne	EPHX2	20	43
C=CCCNC(=O)N[C@H]1CCN(C(=O)OCC)C1	ZINC000852259937	CD	On-Demand	Mild	EPHX2	19	43
C=CCCNC(=O)N[C@@H]1CCN(C(=O)OCC)C1	ZINC000852259938	CD	On-Demand	Mild	EPHX2	19	43
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852259970	FG	On-Demand	Anodyne	EPHX2	34	47
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852259970	FG	On-Demand	Anodyne	CACNA1I	54	35
CCOC(=O)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852259970	FG	On-Demand	Anodyne	CCR8	27	41
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852259971	FG	On-Demand	Anodyne	EPHX2	34	47
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852259971	FG	On-Demand	Anodyne	CACNA1I	54	35
CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852259971	FG	On-Demand	Anodyne	CCR8	27	41
C[C@@H](CCC1CC1)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852259984	GE	On-Demand	Reactive	SIGMAR1	20	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H](C)CCC2CC2)O1	ZINC000852259986	GE	On-Demand	Reactive	SIGMAR1	20	42
O=C(NOC1CCOCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852260059	EF	On-Demand	Anodyne	EPHX2	15	55
O=C(NOC1CCOCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852260059	EF	On-Demand	Anodyne	TRPM8	29	53
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCOCC1	ZINC000852260511	DD	On-Demand	Anodyne	SIGMAR1	23	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCOCC1	ZINC000852260512	DD	On-Demand	Anodyne	SIGMAR1	23	41
O=C(NOC1CCOCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852260525	FE	On-Demand	Anodyne	SSTR3	33	47
C#C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@@H]1CCCO1	ZINC000852260622	FE	On-Demand	Mild	SSTR3	27	43
C#C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@@H]1CCCO1	ZINC000852260623	FE	On-Demand	Mild	SSTR3	27	43
C#C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@H]1CCCO1	ZINC000852260624	FE	On-Demand	Mild	SSTR3	27	43
C#C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@H]1CCCO1	ZINC000852260625	FE	On-Demand	Mild	SSTR3	27	43
Cn1cc(CCNC(=O)NOC2CCOCC2)c2ccccc21	ZINC000852260648	DE	On-Demand	Anodyne	HTR4	35	40
Cn1cc(CCNC(=O)NOC2CCOCC2)c2ccccc21	ZINC000852260648	DE	On-Demand	Anodyne	MTNR1A	23	41
Cn1cc(CCNC(=O)NOC2CCOCC2)c2ccccc21	ZINC000852260648	DE	On-Demand	Anodyne	MTNR1B	15	41
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(C)c(F)c1	ZINC000852260766	EG	On-Demand	Reactive	CCR3	15	40
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1ccc(C)c(F)c1	ZINC000852260767	EG	On-Demand	Reactive	CCR3	15	40
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(C)c(F)c1	ZINC000852260768	EG	On-Demand	Reactive	CCR3	15	40
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(C)c(F)c1	ZINC000852260769	EG	On-Demand	Reactive	CCR3	15	40
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N(C)C)cc1	ZINC000852260776	FG	On-Demand	Clean	HTR4	35	40
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N(C)C)cc1	ZINC000852260776	FG	On-Demand	Clean	CACNA1I	60	36
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N(C)C)cc1	ZINC000852260777	FG	On-Demand	Clean	HTR4	35	40
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N(C)C)cc1	ZINC000852260777	FG	On-Demand	Clean	CACNA1I	60	36
C[C@@H](NC(=O)N1CCc2c(cccc2C(N)=O)C1)c1ccc(N(C)C)cc1	ZINC000852260805	FF	On-Demand	Clean	PTGER4	19	41
C[C@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc(N(C)C)cc1	ZINC000852260976	GG	On-Demand	Clean	CACNA1I	44	32
C[C@@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc(N(C)C)cc1	ZINC000852260977	GG	On-Demand	Clean	CACNA1I	44	32
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1	ZINC000852261005	FG	On-Demand	Clean	SOAT1	20	42
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1	ZINC000852261005	FG	On-Demand	Clean	CAPN2	15	41
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)c1ccc(N(C)C)cc1	ZINC000852261007	FG	On-Demand	Clean	SOAT1	20	42
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)c1ccc(N(C)C)cc1	ZINC000852261007	FG	On-Demand	Clean	CAPN2	15	41
C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(N(C)C)cc1	ZINC000852261026	GJ	On-Demand	Clean	GLRA1	43	35
C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(N(C)C)cc1	ZINC000852261027	GJ	On-Demand	Clean	GLRA1	43	35
C[C@@H](NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N(C)C)cc1	ZINC000852261187	GG	On-Demand	Clean	CAPN2	18	40
C[C@H](NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N(C)C)cc1	ZINC000852261188	GG	On-Demand	Clean	CAPN2	18	40
C[C@@H](NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(N(C)C)cc1	ZINC000852261189	GG	On-Demand	Clean	CAPN2	18	40
C[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccc(N(C)C)cc1	ZINC000852261253	DE	On-Demand	Clean	TAAR1	27	43
CO[C@@](C)(CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)COCc1ccccc1	ZINC000852261319	GH	On-Demand	Clean	CAPN1	34	42
CO[C@@](C)(CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)COCc1ccccc1	ZINC000852261319	GH	On-Demand	Clean	CAPN2	49	42
CO[C@@](C)(CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)COCc1ccccc1	ZINC000852261320	GH	On-Demand	Clean	CAPN1	34	42
CO[C@@](C)(CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)COCc1ccccc1	ZINC000852261320	GH	On-Demand	Clean	CAPN2	49	42
COc1ccc(N2CC[C@H](NC(=O)NCCCCCSC)C2)cc1	ZINC000852261361	FG	On-Demand	Clean	MTNR1A	15	45
C#C[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852261406	CF	On-Demand	Mild	SLC6A3	16	51
C#C[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852261406	CF	On-Demand	Mild	KCNH2	42	40
C#C[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852261406	CF	On-Demand	Mild	GLRA1	46	34
C#C[C@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852261407	CF	On-Demand	Mild	SLC6A3	16	51
C#C[C@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852261407	CF	On-Demand	Mild	KCNH2	42	40
C#C[C@H](C)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852261407	CF	On-Demand	Mild	GLRA1	46	34
C#C[C@@H](C)NC(=O)NCCc1cn(C)c2ccccc12	ZINC000852261438	CE	On-Demand	Mild	MTNR1A	17	45
C#C[C@H](C)NC(=O)NCCc1cn(C)c2ccccc12	ZINC000852261439	CE	On-Demand	Mild	MTNR1A	17	45
C#C[C@H](C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852261476	CD	On-Demand	Mild	SIGMAR1	26	42
C#C[C@@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852261477	CD	On-Demand	Mild	SIGMAR1	26	42
C#C[C@@H](C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852261478	CD	On-Demand	Mild	SIGMAR1	26	42
C#C[C@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852261479	CD	On-Demand	Mild	SIGMAR1	26	42
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261523	GG	On-Demand	Clean	ACHE	21	43
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261523	GG	On-Demand	Clean	HTR4	44	42
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261523	GG	On-Demand	Clean	SIGMAR1	16	40
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261523	GG	On-Demand	Clean	MCHR1	15	41
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261523	GG	On-Demand	Clean	CACNA1I	64	40
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261524	GG	On-Demand	Clean	ACHE	21	43
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261524	GG	On-Demand	Clean	HTR4	44	42
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261524	GG	On-Demand	Clean	SIGMAR1	16	40
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261524	GG	On-Demand	Clean	MCHR1	15	41
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1	ZINC000852261524	GG	On-Demand	Clean	CACNA1I	64	40
C[C@@H](NC(=O)NCCc1ccnc2ccccc12)c1ccc(N(C)C)cc1	ZINC000852261530	FH	On-Demand	Clean	MTNR1A	18	41
C#C[C@@H](C)NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852261598	EF	On-Demand	Mild	BCL2A1	42	33
C#C[C@H](C)NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852261599	EF	On-Demand	Mild	BCL2A1	42	33
C#C[C@@H](C)NC(=O)N1CCc2ccc(C(C)C)cc2C1	ZINC000852261618	CF	On-Demand	Mild	MAPK1	50	37
C#C[C@H](C)NC(=O)N1CCc2ccc(C(C)C)cc2C1	ZINC000852261619	CF	On-Demand	Mild	MAPK1	50	37
C#C[C@@H](C)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852261668	CD	On-Demand	Mild	ANPEP	17	45
C#C[C@H](C)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852261669	CD	On-Demand	Mild	ANPEP	17	45
C#C[C@@H](C)NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852261684	GE	On-Demand	Mild	CCR5	59	36
C#C[C@H](C)NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852261685	GE	On-Demand	Mild	CCR5	59	36
C#C[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261755	DD	On-Demand	Mild	ACHE	33	45
C#C[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261755	DD	On-Demand	Mild	HTR4	49	45
C#C[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261755	DD	On-Demand	Mild	SIGMAR1	26	43
C#C[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261755	DD	On-Demand	Mild	SSTR5	48	34
C#C[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261755	DD	On-Demand	Mild	CCR3	27	41
C#C[C@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261755	DD	On-Demand	Mild	CACNA1I	70	43
C#C[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261758	DD	On-Demand	Mild	ACHE	33	45
C#C[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261758	DD	On-Demand	Mild	HTR4	49	45
C#C[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261758	DD	On-Demand	Mild	SIGMAR1	26	43
C#C[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261758	DD	On-Demand	Mild	SSTR5	48	34
C#C[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261758	DD	On-Demand	Mild	CCR3	27	41
C#C[C@@H](C)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852261758	DD	On-Demand	Mild	CACNA1I	70	43
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(C)c(F)c1	ZINC000852261761	GD	On-Demand	Reactive	MAPK14	34	41
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852261812	GD	On-Demand	Anodyne	MBTPS1	50	33
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852261814	GD	On-Demand	Anodyne	MBTPS1	50	33
C#C[C@@H](C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852261846	CE	On-Demand	Mild	MTNR1A	40	44
C#C[C@@H](C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852261846	CE	On-Demand	Mild	MTNR1B	28	44
C#C[C@H](C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852261847	CE	On-Demand	Mild	MTNR1A	40	44
C#C[C@H](C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852261847	CE	On-Demand	Mild	MTNR1B	28	44
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)c1ccc(N(C)C)cc1	ZINC000852261904	GH	On-Demand	Clean	SOAT1	24	41
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)c1ccc(N(C)C)cc1	ZINC000852261904	GH	On-Demand	Clean	CAPN2	18	44
C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)c1ccc(N(C)C)cc1	ZINC000852261906	GH	On-Demand	Clean	SOAT1	24	41
C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)c1ccc(N(C)C)cc1	ZINC000852261906	GH	On-Demand	Clean	CAPN2	18	44
C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)c1ccc(N(C)C)cc1	ZINC000852261907	GH	On-Demand	Clean	SOAT1	24	41
C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)c1ccc(N(C)C)cc1	ZINC000852261907	GH	On-Demand	Clean	CAPN2	18	44
C#C[C@@H](C)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852262089	CD	On-Demand	Mild	CACNA1I	57	36
C#C[C@H](C)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852262090	CD	On-Demand	Mild	CACNA1I	57	36
C[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccc(N(C)C)cc1	ZINC000852262112	FG	On-Demand	Clean	SIGMAR1	15	41
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccc(N(C)C)cc1	ZINC000852262113	FG	On-Demand	Clean	SIGMAR1	15	41
C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccc(N(C)C)cc1	ZINC000852262114	FG	On-Demand	Clean	SIGMAR1	15	41
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccc(N(C)C)cc1	ZINC000852262115	FG	On-Demand	Clean	SIGMAR1	15	41
CCN(C)C(=O)CNC(=O)NNc1ccc(Cl)cn1	ZINC000852262123	CC	On-Demand	Reactive	F10	34	45
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N(C)C)cc1	ZINC000852262126	EE	On-Demand	Clean	MAPK1	54	43
C#C[C@@H](C)NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852262151	CG	On-Demand	Mild	MAPK1	50	39
C#C[C@H](C)NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852262154	CG	On-Demand	Mild	MAPK1	50	39
C#C[C@@H](C)NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852262188	CC	On-Demand	Mild	TRPV1	37	42
C#C[C@H](C)NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852262189	CC	On-Demand	Mild	TRPV1	37	42
C#C[C@@H](C)NC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852262222	CF	On-Demand	Mild	ANPEP	16	45
C#C[C@@H](C)NC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852262222	CF	On-Demand	Mild	DNAE	75	35
C#C[C@H](C)NC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852262223	CF	On-Demand	Mild	ANPEP	16	45
C#C[C@H](C)NC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852262223	CF	On-Demand	Mild	DNAE	75	35
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852262228	GE	On-Demand	Anodyne	DRD2	31	43
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852262228	GE	On-Demand	Anodyne	SIGMAR1	19	44
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852262228	GE	On-Demand	Anodyne	BIRC2	29	41
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852262228	GE	On-Demand	Anodyne	MBTPS1	42	33
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852262229	GE	On-Demand	Anodyne	DRD2	31	43
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852262229	GE	On-Demand	Anodyne	SIGMAR1	19	44
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852262229	GE	On-Demand	Anodyne	BIRC2	29	41
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852262229	GE	On-Demand	Anodyne	MBTPS1	42	33
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852262238	GF	On-Demand	Anodyne	REN	15	40
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)C1	ZINC000852262238	GF	On-Demand	Anodyne	WNT3	50	31
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852262241	GF	On-Demand	Anodyne	REN	15	40
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)C1	ZINC000852262241	GF	On-Demand	Anodyne	WNT3	50	31
C#C[C@@H](C)NC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852262260	DF	On-Demand	Mild	P2RY14	46	35
C#C[C@H](C)NC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852262261	DF	On-Demand	Mild	P2RY14	46	35
C#C[C@H](C)NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852262298	ED	On-Demand	Mild	SFRP1	44	32
C#C[C@H](C)NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852262298	ED	On-Demand	Mild	WNT3	53	32
C#C[C@@H](C)NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852262299	ED	On-Demand	Mild	SFRP1	44	32
C#C[C@@H](C)NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852262299	ED	On-Demand	Mild	WNT3	53	32
C#C[C@@H](C)NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852262300	ED	On-Demand	Mild	SFRP1	44	32
C#C[C@@H](C)NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852262300	ED	On-Demand	Mild	WNT3	53	32
C#C[C@H](C)NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852262301	ED	On-Demand	Mild	SFRP1	44	32
C#C[C@H](C)NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852262301	ED	On-Demand	Mild	WNT3	53	32
C#C[C@@H](C)NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852262342	DE	On-Demand	Mild	CACNA1I	50	35
C#C[C@@H](C)NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852262343	DE	On-Demand	Mild	CACNA1I	50	35
C#C[C@H](C)NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852262344	DE	On-Demand	Mild	CACNA1I	50	35
C#C[C@H](C)NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852262345	DE	On-Demand	Mild	CACNA1I	50	35
C#C[C@@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852262360	CD	On-Demand	Mild	ANPEP	19	40
C#C[C@@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852262360	CD	On-Demand	Mild	TRPV1	35	41
C#C[C@@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852262360	CD	On-Demand	Mild	SCN2A	18	45
C#C[C@@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852262360	CD	On-Demand	Mild	SCN10A	22	45
C#C[C@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852262361	CD	On-Demand	Mild	ANPEP	19	40
C#C[C@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852262361	CD	On-Demand	Mild	TRPV1	35	41
C#C[C@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852262361	CD	On-Demand	Mild	SCN2A	18	45
C#C[C@H](C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852262361	CD	On-Demand	Mild	SCN10A	22	45
C#C[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852262368	DF	On-Demand	Mild	ANPEP	15	41
C#C[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852262368	DF	On-Demand	Mild	FPR1	43	33
C#C[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852262369	DF	On-Demand	Mild	ANPEP	15	41
C#C[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852262369	DF	On-Demand	Mild	FPR1	43	33
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262539	FF	On-Demand	Anodyne	TRPV1	22	42
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262539	FF	On-Demand	Anodyne	RBP4	47	33
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262539	FF	On-Demand	Anodyne	SCD1	42	38
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262539	FF	On-Demand	Anodyne	SFRP1	73	35
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262539	FF	On-Demand	Anodyne	SCD	40	36
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262540	FF	On-Demand	Anodyne	TRPV1	22	42
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262540	FF	On-Demand	Anodyne	RBP4	47	33
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262540	FF	On-Demand	Anodyne	SCD1	42	38
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262540	FF	On-Demand	Anodyne	SFRP1	73	35
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262540	FF	On-Demand	Anodyne	SCD	40	36
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@H](CO)CC(C)C)C1	ZINC000852262556	ED	On-Demand	Anodyne	RIR1_HHV11	41	32
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H](CO)CC(C)C)C1	ZINC000852262557	ED	On-Demand	Anodyne	RIR1_HHV11	41	32
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H](CO)CC(C)C)C1	ZINC000852262558	ED	On-Demand	Anodyne	RIR1_HHV11	41	32
C#C[C@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852262564	EC	On-Demand	Reactive	SIGMAR1	15	40
C#C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852262565	EC	On-Demand	Reactive	SIGMAR1	15	40
C#C[C@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852262584	CC	On-Demand	Mild	PYGL	35	50
C#C[C@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852262584	CC	On-Demand	Mild	PYGM	33	50
C#C[C@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852262584	CC	On-Demand	Mild	TPP2	42	29
C#C[C@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852262585	CC	On-Demand	Mild	PYGL	35	50
C#C[C@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852262585	CC	On-Demand	Mild	PYGM	33	50
C#C[C@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852262585	CC	On-Demand	Mild	TPP2	42	29
C#C[C@@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852262586	CC	On-Demand	Mild	PYGL	35	50
C#C[C@@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852262586	CC	On-Demand	Mild	PYGM	33	50
C#C[C@@H](C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852262586	CC	On-Demand	Mild	TPP2	42	29
C#C[C@@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852262587	CC	On-Demand	Mild	PYGL	35	50
C#C[C@@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852262587	CC	On-Demand	Mild	PYGM	33	50
C#C[C@@H](C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852262587	CC	On-Demand	Mild	TPP2	42	29
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H](CO)CC(C)C)C1	ZINC000852262622	ED	On-Demand	Anodyne	RIR1_HHV11	44	32
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@H](CO)CC(C)C)C1	ZINC000852262623	ED	On-Demand	Anodyne	RIR1_HHV11	44	32
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H](CO)CC(C)C)C1	ZINC000852262624	ED	On-Demand	Anodyne	RIR1_HHV11	44	32
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@H](CO)CC(C)C)C1	ZINC000852262625	ED	On-Demand	Anodyne	RIR1_HHV11	44	32
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@H](CO)CC(C)C)C1	ZINC000852262629	ED	On-Demand	Anodyne	RIR1_HHV11	41	32
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccc(C)c(F)c3)C2)cc1	ZINC000852262736	GE	On-Demand	Reactive	MAPK14	23	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccc(C)c(F)c3)C2)cc1	ZINC000852262736	GE	On-Demand	Reactive	MCHR1	16	42
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262742	GF	On-Demand	Anodyne	SFRP1	58	34
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852262742	GF	On-Demand	Anodyne	WNT3	40	34
C#C[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852262807	DE	On-Demand	Mild	SSTR3	31	45
C#C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852262808	DE	On-Demand	Mild	SSTR3	31	45
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852262834	GF	On-Demand	Anodyne	MTNR1A	15	40
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852262838	GF	On-Demand	Anodyne	MTNR1A	15	40
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCCc2cn(C)c3ccccc23)C1	ZINC000852262840	GF	On-Demand	Anodyne	MTNR1A	15	40
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1ccc(Cl)cc1F	ZINC000852262899	GE	On-Demand	Reactive	P2RX7	41	38
CCOC(=O)N1CCC([C@H](C)NC(=O)NCCc2cnccc2C)CC1	ZINC000852262919	FE	On-Demand	Anodyne	GPR119	19	41
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCCc2cnccc2C)CC1	ZINC000852262920	FE	On-Demand	Anodyne	GPR119	19	41
COc1ccc(N2CC[C@H](NC(=O)NCCCCCS(C)(=O)=O)C2)cc1	ZINC000852262924	GD	On-Demand	Clean	BMP1	15	44
COc1ccc(N2CC[C@H](NC(=O)NCCCCCS(C)(=O)=O)C2)cc1	ZINC000852262924	GD	On-Demand	Clean	MTNR1A	15	45
COC(=O)N1CCC([C@@H](C)NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852262983	GE	On-Demand	Anodyne	GPR119	15	40
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCCc2ccoc2)C1	ZINC000852263038	EE	On-Demand	Anodyne	BIRC2	31	40
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCCc2ccoc2)C1	ZINC000852263039	EE	On-Demand	Anodyne	BIRC2	31	40
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCCc2ccoc2)C1	ZINC000852263040	EE	On-Demand	Anodyne	BIRC2	31	40
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCCc2ccoc2)C1	ZINC000852263041	EE	On-Demand	Anodyne	BIRC2	31	40
C#C[C@@H](C)NC(=O)N1CCc2ccc(C)cc2C1	ZINC000852263086	BE	On-Demand	Mild	MAPK1	45	35
C#C[C@H](C)NC(=O)N1CCc2ccc(C)cc2C1	ZINC000852263087	BE	On-Demand	Mild	MAPK1	45	35
C#C[C@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852263106	CF	On-Demand	Mild	SCD	25	40
C#C[C@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852263106	CF	On-Demand	Mild	TRPM8	32	53
C#C[C@@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852263107	CF	On-Demand	Mild	SCD	25	40
C#C[C@@H](C)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852263107	CF	On-Demand	Mild	TRPM8	32	53
C#C[C@@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852263154	FE	On-Demand	Mild	EPHX2	21	41
C#C[C@@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852263154	FE	On-Demand	Mild	RBP4	73	40
C#C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852263155	FE	On-Demand	Mild	EPHX2	21	41
C#C[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852263155	FE	On-Demand	Mild	RBP4	73	40
COC(=O)N1CCC([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852263261	GF	On-Demand	Anodyne	MTNR1A	30	45
COC(=O)N1CCC([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852263261	GF	On-Demand	Anodyne	MTNR1B	23	45
COC(=O)N1CCC([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852263261	GF	On-Demand	Anodyne	HNMT	40	33
COC(=O)N1CCC([C@@H](C)NC(=O)NCCc2cnccc2C)CC1	ZINC000852263265	EE	On-Demand	Anodyne	GPR119	20	41
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852263303	GG	On-Demand	Anodyne	P2RY12	40	34
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852263303	GG	On-Demand	Anodyne	MTNR1A	15	40
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852263305	GG	On-Demand	Anodyne	P2RY12	40	34
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852263305	GG	On-Demand	Anodyne	MTNR1A	15	40
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852263307	GG	On-Demand	Anodyne	P2RY12	40	34
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852263307	GG	On-Demand	Anodyne	MTNR1A	15	40
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852263310	GG	On-Demand	Anodyne	P2RY12	40	34
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852263310	GG	On-Demand	Anodyne	MTNR1A	15	40
C#C[C@H](C)NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852263352	CE	On-Demand	Mild	NPY1R	29	41
C#C[C@H](C)NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852263354	CE	On-Demand	Mild	NPY1R	29	41
C#C[C@@H](C)NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852263356	CE	On-Demand	Mild	NPY1R	29	41
C#C[C@@H](C)NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852263359	CE	On-Demand	Mild	NPY1R	29	41
COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)O)C2)cc1	ZINC000852263368	DD	On-Demand	Clean	MTNR1A	22	47
COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)O)C2)cc1	ZINC000852263368	DD	On-Demand	Clean	MTNR1B	18	47
COC(=O)N1CCC([C@@H](C)NC(=O)N2CC[C@H](N(C)c3ccccc3)C2)CC1	ZINC000852263370	GF	On-Demand	Anodyne	P2RY12	42	34
COC(=O)N1CCC([C@@H](C)NC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)CC1	ZINC000852263376	GF	On-Demand	Anodyne	P2RY12	42	34
C#C[C@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852263397	FG	On-Demand	Mild	GPR119	27	43
C#C[C@@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852263398	FG	On-Demand	Mild	GPR119	27	43
C#C[C@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852263399	FG	On-Demand	Mild	GPR119	27	43
C#C[C@@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852263400	FG	On-Demand	Mild	GPR119	27	43
C#C[C@@H](C)NC(=O)NC[C@@](C)(COCc1ccccc1)OC	ZINC000852263502	DD	On-Demand	Mild	PAPA1_CARPA	48	37
C#C[C@@H](C)NC(=O)NC[C@@](C)(COCc1ccccc1)OC	ZINC000852263502	DD	On-Demand	Mild	CTSK	19	40
C#C[C@@H](C)NC(=O)NC[C@](C)(COCc1ccccc1)OC	ZINC000852263503	DD	On-Demand	Mild	PAPA1_CARPA	48	37
C#C[C@@H](C)NC(=O)NC[C@](C)(COCc1ccccc1)OC	ZINC000852263503	DD	On-Demand	Mild	CTSK	19	40
C#C[C@H](C)NC(=O)NC[C@](C)(COCc1ccccc1)OC	ZINC000852263504	DD	On-Demand	Mild	PAPA1_CARPA	48	37
C#C[C@H](C)NC(=O)NC[C@](C)(COCc1ccccc1)OC	ZINC000852263504	DD	On-Demand	Mild	CTSK	19	40
C#C[C@H](C)NC(=O)NC[C@@](C)(COCc1ccccc1)OC	ZINC000852263505	DD	On-Demand	Mild	PAPA1_CARPA	48	37
C#C[C@H](C)NC(=O)NC[C@@](C)(COCc1ccccc1)OC	ZINC000852263505	DD	On-Demand	Mild	CTSK	19	40
C#C[C@@H](C)NC(=O)N1CCc2nccnc2C1	ZINC000852263508	BC	On-Demand	Mild	MAPK1	49	36
C#C[C@H](C)NC(=O)N1CCc2nccnc2C1	ZINC000852263509	BC	On-Demand	Mild	MAPK1	49	36
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852263512	EF	On-Demand	Anodyne	XIAP	35	43
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852263512	EF	On-Demand	Anodyne	BIRC3	58	40
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852263512	EF	On-Demand	Anodyne	BIRC2	54	38
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852263513	EF	On-Demand	Anodyne	XIAP	35	43
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852263513	EF	On-Demand	Anodyne	BIRC3	58	40
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852263513	EF	On-Demand	Anodyne	BIRC2	54	38
COC(=O)N1CCC([C@@H](C)NC(=O)NCCc2cn(C)c3ccccc23)CC1	ZINC000852263552	GF	On-Demand	Anodyne	MTNR1A	24	42
COC(=O)N1CCC([C@@H](C)NC(=O)NCCc2cn(C)c3ccccc23)CC1	ZINC000852263552	GF	On-Demand	Anodyne	MTNR1B	19	42
O=C(NOC1CCCCC1)N1CCC[C@H](CCF)C1	ZINC000852263671	CG	On-Demand	Anodyne	DPP7	18	41
O=C(NOC1CCCCC1)N1CCC[C@@H](CCF)C1	ZINC000852263672	CG	On-Demand	Anodyne	DPP7	18	41
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)CC1	ZINC000852263691	GG	On-Demand	Anodyne	EPHX2	15	42
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)CC1	ZINC000852263692	GG	On-Demand	Anodyne	EPHX2	15	42
CCOC(=O)N1CCC([C@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852263699	GF	On-Demand	Anodyne	HTR4	17	40
CCOC(=O)N1CCC([C@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852263699	GF	On-Demand	Anodyne	CACNA1I	49	34
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852263700	GF	On-Demand	Anodyne	HTR4	17	40
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852263700	GF	On-Demand	Anodyne	CACNA1I	49	34
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NOC1CCCCC1	ZINC000852263746	EF	On-Demand	Clean	TPSAB1	17	42
C#C[C@H](C)NC(=O)NCc1cccc(OC)c1C	ZINC000852263760	BD	On-Demand	Mild	ANPEP	16	51
C#C[C@@H](C)NC(=O)NCc1cccc(OC)c1C	ZINC000852263763	BD	On-Demand	Mild	ANPEP	16	51
C#C[C@H](C)NC(=O)NCc1c(OC)cccc1OC	ZINC000852263780	CD	On-Demand	Mild	ANPEP	15	46
C#C[C@@H](C)NC(=O)NCc1c(OC)cccc1OC	ZINC000852263781	CD	On-Demand	Mild	ANPEP	15	46
C#C[C@@H](C)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852263794	CD	On-Demand	Mild	DRD5	17	42
C#C[C@@H](C)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852263794	CD	On-Demand	Mild	MTNR1A	27	40
C#C[C@@H](C)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852263794	CD	On-Demand	Mild	MTNR1B	32	40
C#C[C@H](C)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852263795	CD	On-Demand	Mild	DRD5	17	42
C#C[C@H](C)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852263795	CD	On-Demand	Mild	MTNR1A	27	40
C#C[C@H](C)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852263795	CD	On-Demand	Mild	MTNR1B	32	40
C#C[C@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852263796	CD	On-Demand	Mild	RBP4	50	39
C#C[C@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852263796	CD	On-Demand	Mild	SFRP1	48	34
C#C[C@@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852263797	CD	On-Demand	Mild	RBP4	50	39
C#C[C@@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852263797	CD	On-Demand	Mild	SFRP1	48	34
C#C[C@@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852263798	CD	On-Demand	Mild	RBP4	50	39
C#C[C@@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852263798	CD	On-Demand	Mild	SFRP1	48	34
C#C[C@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852263799	CD	On-Demand	Mild	RBP4	50	39
C#C[C@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852263799	CD	On-Demand	Mild	SFRP1	48	34
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852263806	FG	On-Demand	Anodyne	BIRC2	24	41
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852263808	FG	On-Demand	Anodyne	BIRC2	24	41
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852263809	FG	On-Demand	Anodyne	BIRC2	24	41
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852263871	FE	On-Demand	Anodyne	BIRC2	21	41
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852263872	FE	On-Demand	Anodyne	BIRC2	21	41
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852263873	FE	On-Demand	Anodyne	BIRC2	21	41
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852263874	FE	On-Demand	Anodyne	BIRC2	21	41
CCOC(=O)N1CCC([C@@H](C)NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852263996	GD	On-Demand	Reactive	P2RY12	150	38
CCOC(=O)N1CCC([C@H](C)NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852263997	GD	On-Demand	Reactive	P2RY12	150	38
O=C(NOC1CCCCC1)N1CCC(c2ccon2)CC1	ZINC000852264011	CF	On-Demand	Anodyne	SMO	34	42
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3nccnc3C2)CC1	ZINC000852264020	FD	On-Demand	Anodyne	MAPK1	41	33
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CCc3nccnc3C2)CC1	ZINC000852264021	FD	On-Demand	Anodyne	MAPK1	41	33
C#C[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852264090	CD	On-Demand	Mild	MTNR1B	15	45
C#C[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852264091	CD	On-Demand	Mild	MTNR1B	15	45
C#C[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852264092	CD	On-Demand	Mild	MTNR1B	15	45
C#C[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852264093	CD	On-Demand	Mild	MTNR1B	15	45
COC(=O)c1ccc(CNC(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852264162	GE	On-Demand	Anodyne	BDKRB1	26	43
COC(=O)c1ccc(CNC(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852264162	GE	On-Demand	Anodyne	GPR119	19	41
COC(=O)c1ccc(CNC(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852264163	GE	On-Demand	Anodyne	BDKRB1	26	43
COC(=O)c1ccc(CNC(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852264163	GE	On-Demand	Anodyne	GPR119	19	41
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852264166	FC	On-Demand	Reactive	P2RY12	53	33
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852264167	FC	On-Demand	Reactive	P2RY12	53	33
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852264168	FC	On-Demand	Reactive	P2RY12	53	33
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852264169	FC	On-Demand	Reactive	P2RY12	53	33
COC(=O)N1CCC([C@@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852264185	GE	On-Demand	Anodyne	HTR4	17	46
COC(=O)N1CCC([C@@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)CC1	ZINC000852264185	GE	On-Demand	Anodyne	CACNA1I	49	34
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852264190	GD	On-Demand	Anodyne	TRHR	41	31
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852264191	GD	On-Demand	Anodyne	TRHR	41	31
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852264192	GD	On-Demand	Anodyne	TRHR	41	31
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852264193	GD	On-Demand	Anodyne	TRHR	41	31
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264202	FF	On-Demand	Mild	LGMN	43	33
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264202	FF	On-Demand	Mild	GPBAR1	32	40
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264203	FF	On-Demand	Mild	LGMN	43	33
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264203	FF	On-Demand	Mild	GPBAR1	32	40
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264204	FF	On-Demand	Mild	LGMN	43	33
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264204	FF	On-Demand	Mild	GPBAR1	32	40
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264205	FF	On-Demand	Mild	LGMN	43	33
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264205	FF	On-Demand	Mild	GPBAR1	32	40
C#C[C@@H](C)NC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852264297	CD	On-Demand	Mild	TRPV1	76	33
C#C[C@@H](C)NC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852264297	CD	On-Demand	Mild	BDKRB1	26	41
C#C[C@H](C)NC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852264299	CD	On-Demand	Mild	TRPV1	76	33
C#C[C@H](C)NC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852264299	CD	On-Demand	Mild	BDKRB1	26	41
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264316	FE	On-Demand	Mild	LGMN	52	33
COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264316	FE	On-Demand	Mild	GPBAR1	31	40
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264318	FE	On-Demand	Mild	LGMN	52	33
COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264318	FE	On-Demand	Mild	GPBAR1	31	40
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264320	FE	On-Demand	Mild	LGMN	52	33
COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852264320	FE	On-Demand	Mild	GPBAR1	31	40
O=C(NCCCCCc1ccc(F)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852264391	EH	On-Demand	Anodyne	CCR3	21	43
O=C(NCCCCCc1ccc(F)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852264393	EH	On-Demand	Anodyne	CCR3	21	43
C[C@@]1(CNC(=O)N[C@@H]2COC3(CCC3)C2)CCCN1Cc1ccccc1	ZINC000852264397	FG	On-Demand	Anodyne	SLC12A5	59	32
C[C@@]1(CNC(=O)N[C@H]2COC3(CCC3)C2)CCCN1Cc1ccccc1	ZINC000852264400	FG	On-Demand	Anodyne	SLC12A5	59	32
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCCCC1	ZINC000852264407	DF	On-Demand	Anodyne	DRD2	22	44
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCCCC1	ZINC000852264407	DF	On-Demand	Anodyne	SIGMAR1	30	45
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCCCC1	ZINC000852264407	DF	On-Demand	Anodyne	EPHX2	15	42
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCCCC1	ZINC000852264409	DF	On-Demand	Anodyne	DRD2	22	44
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCCCC1	ZINC000852264409	DF	On-Demand	Anodyne	SIGMAR1	30	45
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCCCC1	ZINC000852264409	DF	On-Demand	Anodyne	EPHX2	15	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCCC1	ZINC000852264432	EH	On-Demand	Anodyne	ADRB1	22	47
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCCC1	ZINC000852264432	EH	On-Demand	Anodyne	SLC6A3	16	49
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCCC1	ZINC000852264432	EH	On-Demand	Anodyne	ADRB3	25	42
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCCC1	ZINC000852264434	EH	On-Demand	Anodyne	ADRB1	22	47
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCCC1	ZINC000852264434	EH	On-Demand	Anodyne	SLC6A3	16	49
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCCCC1	ZINC000852264434	EH	On-Demand	Anodyne	ADRB3	25	42
COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852264470	GG	On-Demand	Anodyne	CCR8	41	36
COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852264472	GG	On-Demand	Anodyne	CCR8	41	36
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852264521	FG	On-Demand	Anodyne	P2RY12	55	35
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852264521	FG	On-Demand	Anodyne	XIAP	38	41
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852264521	FG	On-Demand	Anodyne	BIRC3	43	38
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852264521	FG	On-Demand	Anodyne	BIRC2	56	34
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852264522	FG	On-Demand	Anodyne	P2RY12	55	35
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852264522	FG	On-Demand	Anodyne	XIAP	38	41
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852264522	FG	On-Demand	Anodyne	BIRC3	43	38
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H]2CCc3ccccc32)C1	ZINC000852264522	FG	On-Demand	Anodyne	BIRC2	56	34
COC(=O)N1CCC([C@@H](C)NC(=O)N(Cc2ccccc2F)CC2CC2)CC1	ZINC000852264548	GH	On-Demand	Anodyne	CCR1	20	42
COC(=O)N1CCC([C@@H](C)NC(=O)N(Cc2ccccc2F)CC2CC2)CC1	ZINC000852264548	GH	On-Demand	Anodyne	GPR119	15	46
O=C(NCC1CCN(CC2CC2)CC1)NOC1CCCCC1	ZINC000852264575	DF	On-Demand	Anodyne	HTR4	16	46
O=C(NCC1CCN(CC2CC2)CC1)NOC1CCCCC1	ZINC000852264575	DF	On-Demand	Anodyne	CACNA1I	50	34
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264576	GG	On-Demand	Anodyne	CHRM2	15	42
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264576	GG	On-Demand	Anodyne	MMP13	23	46
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264576	GG	On-Demand	Anodyne	MTNR1A	22	40
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264576	GG	On-Demand	Anodyne	MTNR1B	27	40
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264576	GG	On-Demand	Anodyne	MMP3	17	42
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264576	GG	On-Demand	Anodyne	MMP8	18	46
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264577	GG	On-Demand	Anodyne	CHRM2	15	42
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264577	GG	On-Demand	Anodyne	MMP13	23	46
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264577	GG	On-Demand	Anodyne	MTNR1A	22	40
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264577	GG	On-Demand	Anodyne	MTNR1B	27	40
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264577	GG	On-Demand	Anodyne	MMP3	17	42
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264577	GG	On-Demand	Anodyne	MMP8	18	46
COCCN(CCF)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1	ZINC000852264587	FF	On-Demand	Anodyne	SLC12A5	59	34
COCCN(CCF)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1	ZINC000852264588	FF	On-Demand	Anodyne	SLC12A5	59	34
CCOC(=O)N1CCC([C@@H](C)NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852264616	FF	On-Demand	Reactive	P2RY12	46	34
CCOC(=O)N1CCC([C@H](C)NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852264617	FF	On-Demand	Reactive	P2RY12	46	34
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H](CO)c2ccc(F)cc2F)CC1	ZINC000852264624	GF	On-Demand	Anodyne	GPR119	19	42
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H](CO)c2ccc(F)cc2F)CC1	ZINC000852264625	GF	On-Demand	Anodyne	GPR119	19	42
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@H](CO)c2ccc(F)cc2F)CC1	ZINC000852264626	GF	On-Demand	Anodyne	GPR119	19	42
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@H](CO)c2ccc(F)cc2F)CC1	ZINC000852264627	GF	On-Demand	Anodyne	GPR119	19	42
O=C(NCCCCCc1ccc(F)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852264639	FF	On-Demand	Anodyne	NPSR1	24	40
O=C(NCCCCCc1ccc(F)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852264640	FF	On-Demand	Anodyne	NPSR1	24	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCCC1	ZINC000852264657	EF	On-Demand	Anodyne	ACHE	33	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCCC1	ZINC000852264657	EF	On-Demand	Anodyne	HTR4	51	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCCC1	ZINC000852264657	EF	On-Demand	Anodyne	GRIN2B	19	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCCC1	ZINC000852264657	EF	On-Demand	Anodyne	HRH3	21	50
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCCC1	ZINC000852264657	EF	On-Demand	Anodyne	SIGMAR1	28	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCCC1	ZINC000852264657	EF	On-Demand	Anodyne	CCR3	26	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCCC1	ZINC000852264657	EF	On-Demand	Anodyne	CXCR3	22	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCCCC1	ZINC000852264657	EF	On-Demand	Anodyne	CACNA1I	63	42
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)CC1	ZINC000852264748	GI	On-Demand	Anodyne	LGMN	43	33
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)CC1	ZINC000852264748	GI	On-Demand	Anodyne	CCR8	45	34
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCC[C@H]2c2c(C)cccc2C)CC1	ZINC000852264750	GI	On-Demand	Anodyne	LGMN	43	33
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCC[C@H]2c2c(C)cccc2C)CC1	ZINC000852264750	GI	On-Demand	Anodyne	CCR8	45	34
O=C(NC[C@@H](O)c1cccc2ccccc12)NOC1CCCCC1	ZINC000852264809	EG	On-Demand	Anodyne	NMBR	18	40
O=C(NC[C@H](O)c1cccc2ccccc12)NOC1CCCCC1	ZINC000852264810	EG	On-Demand	Anodyne	NMBR	18	40
O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852264868	GG	On-Demand	Anodyne	SFRP1	55	32
O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)N[C@H]1COC2(CCC2)C1	ZINC000852264870	GG	On-Demand	Anodyne	SFRP1	55	32
O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)N[C@H]1COC2(CCC2)C1	ZINC000852264871	GG	On-Demand	Anodyne	SFRP1	55	32
COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000852264930	GE	On-Demand	Anodyne	DRD2	24	42
COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1	ZINC000852264930	GE	On-Demand	Anodyne	SIGMAR1	22	42
COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000852264936	GE	On-Demand	Anodyne	DRD2	24	42
COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1	ZINC000852264936	GE	On-Demand	Anodyne	SIGMAR1	22	42
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264947	GF	On-Demand	Anodyne	MMP13	21	41
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264947	GF	On-Demand	Anodyne	MTNR1A	17	40
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264947	GF	On-Demand	Anodyne	MTNR1B	21	40
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264947	GF	On-Demand	Anodyne	MMP3	15	40
COC(=O)N1CCC([C@@H](C)NC(=O)N2CCc3cc(OC)ccc3C2)CC1	ZINC000852264947	GF	On-Demand	Anodyne	MMP8	17	43
O=C(NCCCCCc1ccc(F)cc1)NCc1ncccn1	ZINC000852264954	DF	On-Demand	Anodyne	SCNN1A	44	32
O=C(NCCCCCc1ccc(F)cc1)NCc1ncccn1	ZINC000852264954	DF	On-Demand	Anodyne	CCR3	15	42
O=C(NCCCCCc1ccc(F)cc1)NCc1ncccn1	ZINC000852264954	DF	On-Demand	Anodyne	FAAH	29	42
O=C(NCc1cccnc1N1CCCC1)NOC1CCCCC1	ZINC000852264979	DF	On-Demand	Anodyne	TRPV1	17	44
O=C(NCc1cccnc1N1CCCC1)NOC1CCCCC1	ZINC000852264979	DF	On-Demand	Anodyne	SCN2A	19	47
O=C(NCc1cccnc1N1CCCC1)NOC1CCCCC1	ZINC000852264979	DF	On-Demand	Anodyne	SCN10A	20	47
C[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCN1Cc1ccccc1	ZINC000852265002	GE	On-Demand	Reactive	NPFFR1	40	34
C[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCN1Cc1ccccc1	ZINC000852265002	GE	On-Demand	Reactive	HCN1	55	32
C[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCCN1Cc1ccccc1	ZINC000852265002	GE	On-Demand	Reactive	HCN4	46	29
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2ncccn2)CC1	ZINC000852265018	ED	On-Demand	Anodyne	P2RY12	48	34
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2ncccn2)CC1	ZINC000852265018	ED	On-Demand	Anodyne	GRIN2B	21	41
CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2ncccn2)CC1	ZINC000852265020	ED	On-Demand	Anodyne	P2RY12	48	34
CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2ncccn2)CC1	ZINC000852265020	ED	On-Demand	Anodyne	GRIN2B	21	41
O=C(NOC1CCCCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852265057	FG	On-Demand	Anodyne	AMY2	43	30
O=C(NOC1CCCCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852265057	FG	On-Demand	Anodyne	SSTR3	34	50
O=C(NOC1CCCCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852265057	FG	On-Demand	Anodyne	PRKACA	42	34
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2ncccn2)C1	ZINC000852265066	ED	On-Demand	Anodyne	BIRC2	20	42
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2ncccn2)C1	ZINC000852265067	ED	On-Demand	Anodyne	BIRC2	20	42
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2ncccn2)C1	ZINC000852265068	ED	On-Demand	Anodyne	BIRC2	20	42
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2ncccn2)C1	ZINC000852265069	ED	On-Demand	Anodyne	BIRC2	20	42
C#C[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)C1CCOCC1	ZINC000852265152	GG	On-Demand	Mild	SFRP1	54	35
C#C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)C1CCOCC1	ZINC000852265154	GG	On-Demand	Mild	SFRP1	54	35
C#C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)C1CCOCC1	ZINC000852265156	GG	On-Demand	Mild	SFRP1	54	35
C#C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)C1CCOCC1	ZINC000852265159	GG	On-Demand	Mild	SFRP1	54	35
CCOC(=O)N1CCC([C@@H](C)NC(=O)N(C)C[C@@H]2CCc3ccccc32)CC1	ZINC000852265179	GH	On-Demand	Anodyne	P2RY12	54	37
CCOC(=O)N1CCC([C@H](C)NC(=O)N(C)C[C@@H]2CCc3ccccc32)CC1	ZINC000852265181	GH	On-Demand	Anodyne	P2RY12	54	37
CCOC(=O)N1CCC([C@H](C)NC(=O)N(C)C[C@H]2CCc3ccccc32)CC1	ZINC000852265184	GH	On-Demand	Anodyne	P2RY12	54	37
CCOC(=O)N1CCC([C@@H](C)NC(=O)N(C)C[C@H]2CCc3ccccc32)CC1	ZINC000852265186	GH	On-Demand	Anodyne	P2RY12	54	37
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265233	GE	On-Demand	Anodyne	SFRP1	47	34
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265235	GE	On-Demand	Anodyne	SFRP1	47	34
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NOC1CCCCC1	ZINC000852265247	DG	On-Demand	Anodyne	EPHX2	15	45
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852265248	GH	On-Demand	Anodyne	P2RY12	120	37
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852265248	GH	On-Demand	Anodyne	BIRC2	19	41
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852265249	GH	On-Demand	Anodyne	P2RY12	120	37
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852265249	GH	On-Demand	Anodyne	BIRC2	19	41
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265285	EG	On-Demand	Anodyne	RBP4	59	33
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265285	EG	On-Demand	Anodyne	SFRP1	78	36
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265288	EG	On-Demand	Anodyne	RBP4	59	33
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265288	EG	On-Demand	Anodyne	SFRP1	78	36
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265290	EG	On-Demand	Anodyne	RBP4	59	33
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265290	EG	On-Demand	Anodyne	SFRP1	78	36
O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)N[C@H]1C=CCC1	ZINC000852265293	EG	On-Demand	Anodyne	RBP4	59	33
O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)N[C@H]1C=CCC1	ZINC000852265293	EG	On-Demand	Anodyne	SFRP1	78	36
COC(=O)N1CCC([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852265295	GH	On-Demand	Anodyne	CCR1	31	42
COC(=O)N1CCC([C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852265295	GH	On-Demand	Anodyne	CACNA1I	55	38
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852265420	GF	On-Demand	Anodyne	CHRM1	15	45
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852265420	GF	On-Demand	Anodyne	P2RY12	78	39
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852265420	GF	On-Demand	Anodyne	GRIN2B	19	40
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852265422	GF	On-Demand	Anodyne	CHRM1	15	45
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852265422	GF	On-Demand	Anodyne	P2RY12	78	39
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852265422	GF	On-Demand	Anodyne	GRIN2B	19	40
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852265424	GF	On-Demand	Anodyne	CHRM1	15	45
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852265424	GF	On-Demand	Anodyne	P2RY12	78	39
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)CC1	ZINC000852265424	GF	On-Demand	Anodyne	GRIN2B	19	40
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852265426	GF	On-Demand	Anodyne	CHRM1	15	45
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852265426	GF	On-Demand	Anodyne	P2RY12	78	39
CCOC(=O)N1CCC([C@H](C)NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)CC1	ZINC000852265426	GF	On-Demand	Anodyne	GRIN2B	19	40
COC(=O)N1CCC([C@@H](C)NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852265496	FG	On-Demand	Anodyne	GPR119	15	41
COC(=O)N1CCC([C@@H](C)NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852265497	FG	On-Demand	Anodyne	GPR119	15	41
NC(=O)c1cccc2c1CCN(C(=O)NOC1CCCCC1)C2	ZINC000852265510	DE	On-Demand	Anodyne	PARP1	21	42
O=C(NCC1SCCS1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265581	GG	On-Demand	Anodyne	SFRP1	58	33
O=C(NCC1SCCS1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1	ZINC000852265583	GG	On-Demand	Anodyne	SFRP1	58	33
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCn2ccnc2C1	ZINC000852265701	FF	On-Demand	Anodyne	ADRB3	16	44
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCn2ccnc2C1	ZINC000852265702	FF	On-Demand	Anodyne	ADRB3	16	44
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCn2ccnc2C1	ZINC000852265703	FF	On-Demand	Anodyne	ADRB3	16	44
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCn2ccnc2C1	ZINC000852265704	FF	On-Demand	Anodyne	ADRB3	16	44
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852265705	GG	On-Demand	Anodyne	BIRC2	18	40
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852265706	GG	On-Demand	Anodyne	BIRC2	18	40
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852265707	GG	On-Demand	Anodyne	BIRC2	18	40
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccccc2OC)C1	ZINC000852265708	GG	On-Demand	Anodyne	BIRC2	18	40
COC(=O)N(C)CCNC(=O)NCc1ccc(Cl)cc1F	ZINC000852265720	DD	On-Demand	Anodyne	P2RX7	50	38
O=C(NCc1ccc(Cl)cc1F)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852265721	FD	On-Demand	Reactive	P2RX7	46	41
O=C(NCCC1SCCS1)NCc1ccc(Cl)cc1F	ZINC000852265733	EG	On-Demand	Anodyne	P2RX7	51	37
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852265734	GH	On-Demand	Anodyne	GPR119	19	42
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852265735	GH	On-Demand	Anodyne	GPR119	19	42
CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852265736	GH	On-Demand	Anodyne	GPR119	19	42
CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852265737	GH	On-Demand	Anodyne	GPR119	19	42
CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2cccc(OC)c2C)CC1	ZINC000852265801	GG	On-Demand	Anodyne	GPR119	20	40
CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2cccc(OC)c2C)CC1	ZINC000852265801	GG	On-Demand	Anodyne	MBTPS1	49	32
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2cccc(OC)c2C)CC1	ZINC000852265802	GG	On-Demand	Anodyne	GPR119	20	40
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2cccc(OC)c2C)CC1	ZINC000852265802	GG	On-Demand	Anodyne	MBTPS1	49	32
CCC(C)(C)[C@@H](C)NC(=O)NOC1CCCCC1	ZINC000852265816	CG	On-Demand	Anodyne	AMY2	43	31
C[C@H]1[C@H](NC(=O)NCCc2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C	ZINC000852265852	GG	On-Demand	Mild	DPP4	19	44
C[C@H]1[C@H](NC(=O)NCCc2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C	ZINC000852265852	GG	On-Demand	Mild	GPBAR1	32	40
C[C@@H]1[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C	ZINC000852265854	GG	On-Demand	Mild	DPP4	19	44
C[C@@H]1[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C	ZINC000852265854	GG	On-Demand	Mild	GPBAR1	32	40
C[C@H]1[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C	ZINC000852265856	GG	On-Demand	Mild	DPP4	19	44
C[C@H]1[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CCCN1C(=O)OC(C)(C)C	ZINC000852265856	GG	On-Demand	Mild	GPBAR1	32	40
Cn1cc(CCNC(=O)NOC2CCCCC2)c2ccccc21	ZINC000852265888	DG	On-Demand	Anodyne	HTR4	31	41
Cn1cc(CCNC(=O)NOC2CCCCC2)c2ccccc21	ZINC000852265888	DG	On-Demand	Anodyne	MTNR1A	25	43
Cn1cc(CCNC(=O)NOC2CCCCC2)c2ccccc21	ZINC000852265888	DG	On-Demand	Anodyne	MTNR1B	18	43
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3OC)C2)cc1	ZINC000852265930	FF	On-Demand	Clean	P2RX7	29	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3OC)C2)cc1	ZINC000852265930	FF	On-Demand	Clean	CCR3	33	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3OC)C2)cc1	ZINC000852265930	FF	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3OC)C2)cc1	ZINC000852265930	FF	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)ccc3OC)C2)cc1	ZINC000852265930	FF	On-Demand	Clean	MCHR1	19	45
CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852265957	GF	On-Demand	Anodyne	HCN1	42	32
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852265958	GF	On-Demand	Anodyne	HCN1	42	32
O=C(NCc1ccc(N2CCCNC2=O)cc1)NCc1ccc(Cl)cc1F	ZINC000852265989	GG	On-Demand	Anodyne	P2RX7	50	38
O=C(NCc1ccc(Cl)cc1F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852266003	EE	On-Demand	Anodyne	P2RX7	51	42
O=C(NCc1ccc(Cl)cc1F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852266003	EE	On-Demand	Anodyne	EPHX2	17	48
O=C(NCc1ccc(Cl)cc1F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852266004	EE	On-Demand	Anodyne	P2RX7	51	42
O=C(NCc1ccc(Cl)cc1F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852266004	EE	On-Demand	Anodyne	EPHX2	17	48
C=C(C)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852266041	DG	On-Demand	Mild	ROCK2	18	40
COCCN(CCF)C(=O)NCc1ccc(Cl)cc1F	ZINC000852266063	DF	On-Demand	Anodyne	P2RX7	45	37
COCCN(CCF)C(=O)NCc1cc(F)ccc1OC	ZINC000852266065	DD	On-Demand	Anodyne	ACKR3	52	34
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852266094	GD	On-Demand	Reactive	P2RY12	106	40
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852266095	GD	On-Demand	Reactive	P2RY12	106	40
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852266097	GD	On-Demand	Reactive	P2RY12	106	40
C=C(C)CNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852266102	FH	On-Demand	Mild	GPR119	32	45
C=C(C)CNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852266103	FH	On-Demand	Mild	GPR119	32	45
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852266187	GG	On-Demand	Anodyne	MBTPS1	44	33
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852266188	GG	On-Demand	Anodyne	MBTPS1	44	33
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852266189	GG	On-Demand	Anodyne	MBTPS1	44	33
CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2cccc(OC)c2C)C1	ZINC000852266190	GG	On-Demand	Anodyne	MBTPS1	44	33
CCOC(=O)N1CCC([C@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852266225	GG	On-Demand	Anodyne	P2RY12	55	34
CCOC(=O)N1CCC([C@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852266225	GG	On-Demand	Anodyne	MTNR1A	25	43
CCOC(=O)N1CCC([C@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852266225	GG	On-Demand	Anodyne	MTNR1B	18	43
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852266226	GG	On-Demand	Anodyne	P2RY12	55	34
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852266226	GG	On-Demand	Anodyne	MTNR1A	25	43
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852266226	GG	On-Demand	Anodyne	MTNR1B	18	43
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2F)O1	ZINC000852266235	FD	On-Demand	Reactive	P2RX7	83	44
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)cc2F)O1	ZINC000852266236	FD	On-Demand	Reactive	P2RX7	83	44
C[C@@H](ON=Cc1ccccc1Br)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852266244	GI	On-Demand	Mild	TPP2	54	33
COc1ccc(N2CC[C@H](NC(=O)NCC3CN(S(C)(=O)=O)C3)C2)cc1	ZINC000852266263	GC	On-Demand	Clean	EPHX2	18	42
C[C@@](O)(CCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccccc1	ZINC000852266271	GD	On-Demand	Anodyne	CA2	24	43
C[C@@](O)(CCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccccc1	ZINC000852266271	GD	On-Demand	Anodyne	CA1	20	43
C[C@@](O)(CCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccccc1	ZINC000852266271	GD	On-Demand	Anodyne	TRPV1	23	47
C[C@@](O)(CCNC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)c1ccccc1	ZINC000852266271	GD	On-Demand	Anodyne	CA4	22	43
C=C(C)CNC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852266315	FH	On-Demand	Mild	GPR119	19	40
C=C(C)CNC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852266319	FH	On-Demand	Mild	GPR119	19	40
C=C(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852266323	FF	On-Demand	Mild	EPHX2	24	40
C=C(C)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852266323	FF	On-Demand	Mild	RBP4	34	40
O=C(NOCCC(F)(F)F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852266325	FG	On-Demand	Anodyne	EPHX2	15	54
O=C(NOCCC(F)(F)F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852266325	FG	On-Demand	Anodyne	TRPM8	34	60
O=C(NCc1cccnc1N1CCCC1)NOCCC(F)(F)F	ZINC000852266329	EE	On-Demand	Anodyne	TRPV1	19	41
O=C(NCc1cccnc1N1CCCC1)NOCCC(F)(F)F	ZINC000852266329	EE	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NOCCC(F)(F)F	ZINC000852266329	EE	On-Demand	Anodyne	SCN10A	28	48
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCCC(F)(F)F	ZINC000852266335	EE	On-Demand	Anodyne	SIGMAR1	22	41
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCCC(F)(F)F	ZINC000852266336	EE	On-Demand	Anodyne	SIGMAR1	22	41
C[C@@](O)(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266361	FF	On-Demand	Anodyne	DRD2	15	41
C[C@@](O)(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266361	FF	On-Demand	Anodyne	ACHE	19	40
C[C@@](O)(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266361	FF	On-Demand	Anodyne	CHRM3	25	42
C[C@@](O)(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266361	FF	On-Demand	Anodyne	SIGMAR1	26	41
C[C@@](O)(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266361	FF	On-Demand	Anodyne	CACNA1G	17	40
C[C@@](O)(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266363	FF	On-Demand	Anodyne	DRD2	15	41
C[C@@](O)(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266363	FF	On-Demand	Anodyne	ACHE	19	40
C[C@@](O)(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266363	FF	On-Demand	Anodyne	CHRM3	25	42
C[C@@](O)(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266363	FF	On-Demand	Anodyne	SIGMAR1	26	41
C[C@@](O)(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852266363	FF	On-Demand	Anodyne	CACNA1G	17	40
C[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852266371	GG	On-Demand	Anodyne	P2RX7	54	38
C[C@@H]1CCN(C(=O)NCc2ccc(Cl)cc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852266371	GG	On-Demand	Anodyne	EPHX2	20	47
C=C(C)CNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000852266402	GE	On-Demand	Mild	EPHX2	18	42
C[C@@](O)(CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852266516	GH	On-Demand	Anodyne	ADRB1	17	45
C[C@@](O)(CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852266516	GH	On-Demand	Anodyne	ADRB3	31	43
C[C@@](O)(CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852266518	GH	On-Demand	Anodyne	ADRB1	17	45
C[C@@](O)(CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000852266518	GH	On-Demand	Anodyne	ADRB3	31	43
N#Cc1ccc(CCNC(=O)NOC2CCCCC2)cc1	ZINC000852266525	CF	On-Demand	Mild	CTSK	23	43
O=C(NOCCC(F)(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852266529	FF	On-Demand	Anodyne	AMY2	46	33
O=C(NOCCC(F)(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852266529	FF	On-Demand	Anodyne	SSTR3	33	45
O=C(NOCCC(F)(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852266529	FF	On-Demand	Anodyne	CCR2	17	43
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCCC(F)(F)F	ZINC000852266546	FG	On-Demand	Anodyne	CACNA1I	71	38
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCCC(F)(F)F	ZINC000852266547	FG	On-Demand	Anodyne	CACNA1I	71	38
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1ccc(Cl)cc1F	ZINC000852266609	GE	On-Demand	Anodyne	TRPV1	83	37
CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)N1CCC(c2ccon2)CC1	ZINC000852266615	GF	On-Demand	Anodyne	ETHR	62	33
O=C(NCc1ccc(Cl)cc1F)N[C@H]1COC2(CCC2)C1	ZINC000852266630	DF	On-Demand	Anodyne	P2RX7	42	37
O=C(NCc1ccc(Cl)cc1F)N[C@@H]1COC2(CCC2)C1	ZINC000852266631	DF	On-Demand	Anodyne	P2RX7	42	37
C=C(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852266632	CE	On-Demand	Mild	MTNR1A	22	48
C=C(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852266632	CE	On-Demand	Mild	MTNR1B	21	48
C=C(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852266633	CE	On-Demand	Mild	MTNR1A	22	48
C=C(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852266633	CE	On-Demand	Mild	MTNR1B	21	48
C=C(C)CNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852266641	DF	On-Demand	Mild	CTSK	18	44
O=C(NCc1ccc(Cl)cc1F)NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000852266644	GD	On-Demand	Reactive	P2RX7	48	37
O=C(NCc1ccc(Cl)cc1F)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852266650	EG	On-Demand	Anodyne	P2RX7	40	38
O=C(NCc1ccc(Cl)cc1F)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852266650	EG	On-Demand	Anodyne	EPHX2	15	40
O=C(NCC1CCN(CC2CC2)CC1)NOCCC(F)(F)F	ZINC000852266704	DE	On-Demand	Anodyne	CACNA1I	59	41
C[C@@](O)(CCNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1	ZINC000852266719	DF	On-Demand	Anodyne	CHRM2	18	40
C[C@@](O)(CCNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1	ZINC000852266719	DF	On-Demand	Anodyne	CHRM1	19	40
C[C@@](O)(CCNC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1	ZINC000852266719	DF	On-Demand	Anodyne	CHRM3	32	40
CC(C)(C)N1CC[C@@H](NC(=O)NOC2CCCCC2)C1	ZINC000852266723	CE	On-Demand	Anodyne	EPHX2	22	43
CC(C)(C)N1CC[C@H](NC(=O)NOC2CCCCC2)C1	ZINC000852266724	CE	On-Demand	Anodyne	EPHX2	22	43
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCCC(F)(F)F)C1	ZINC000852266742	EF	On-Demand	Anodyne	AMY2	48	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCCC(F)(F)F)C1	ZINC000852266742	EF	On-Demand	Anodyne	RBP4	77	38
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCCC(F)(F)F)C1	ZINC000852266742	EF	On-Demand	Anodyne	SFRP1	89	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCCC(F)(F)F)C1	ZINC000852266742	EF	On-Demand	Anodyne	WNT3	68	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCCC(F)(F)F)C1	ZINC000852266743	EF	On-Demand	Anodyne	AMY2	48	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCCC(F)(F)F)C1	ZINC000852266743	EF	On-Demand	Anodyne	RBP4	77	38
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCCC(F)(F)F)C1	ZINC000852266743	EF	On-Demand	Anodyne	SFRP1	89	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCCC(F)(F)F)C1	ZINC000852266743	EF	On-Demand	Anodyne	WNT3	68	37
CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852266786	FG	On-Demand	Anodyne	P2RY12	41	34
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852266788	FG	On-Demand	Anodyne	P2RY12	41	34
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccc(Cl)cc1F	ZINC000852266807	GG	On-Demand	Clean	MC4R	15	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccc(Cl)cc1F	ZINC000852266807	GG	On-Demand	Clean	P2RX7	66	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccc(Cl)cc1F	ZINC000852266807	GG	On-Demand	Clean	EPHX2	21	44
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2Cc3ccccc3[C@H]2C)C1	ZINC000852266830	FH	On-Demand	Anodyne	ACE	20	40
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2Cc3ccccc3[C@H]2C)C1	ZINC000852266830	FH	On-Demand	Anodyne	P2RY12	41	33
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2Cc3ccccc3[C@H]2C)C1	ZINC000852266830	FH	On-Demand	Anodyne	BIRC2	37	40
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2Cc3ccccc3[C@H]2C)C1	ZINC000852266831	FH	On-Demand	Anodyne	ACE	20	40
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2Cc3ccccc3[C@H]2C)C1	ZINC000852266831	FH	On-Demand	Anodyne	P2RY12	41	33
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2Cc3ccccc3[C@H]2C)C1	ZINC000852266831	FH	On-Demand	Anodyne	BIRC2	37	40
COC(=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852266865	CD	On-Demand	Reactive	F10	49	33
O=C(NOCCC(F)(F)F)N1CCC(c2ccco2)CC1	ZINC000852266886	DG	On-Demand	Anodyne	ETHR	56	37
CO[C@@](C)(CNC(=O)NOC1CCCCC1)COCc1ccccc1	ZINC000852266901	FG	On-Demand	Anodyne	CTSK	24	40
CO[C@@](C)(CNC(=O)NOC1CCCCC1)COCc1ccccc1	ZINC000852266901	FG	On-Demand	Anodyne	AMY2	45	30
O=C(NOCCC(F)(F)F)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852266947	FH	On-Demand	Anodyne	P2RY14	40	35
CCOC(=O)N1CCC([C@H](C)NC(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852266948	FC	On-Demand	Reactive	P2RY12	68	35
CCOC(=O)N1CCC([C@@H](C)NC(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852266950	FC	On-Demand	Reactive	P2RY12	68	35
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852266993	FG	On-Demand	Anodyne	P2RY12	45	34
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852266995	FG	On-Demand	Anodyne	P2RY12	45	34
C[C@@](O)(CCNC(=O)N1CCC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852267010	EH	On-Demand	Anodyne	CHRM2	23	41
C[C@@](O)(CCNC(=O)N1CCC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852267010	EH	On-Demand	Anodyne	CHRM1	23	41
C[C@@](O)(CCNC(=O)N1CCC[C@H](C2CCC2)C1)c1ccccc1	ZINC000852267010	EH	On-Demand	Anodyne	CHRM3	43	41
C[C@@](O)(CCNC(=O)N1CCC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852267013	EH	On-Demand	Anodyne	CHRM2	23	41
C[C@@](O)(CCNC(=O)N1CCC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852267013	EH	On-Demand	Anodyne	CHRM1	23	41
C[C@@](O)(CCNC(=O)N1CCC[C@@H](C2CCC2)C1)c1ccccc1	ZINC000852267013	EH	On-Demand	Anodyne	CHRM3	43	41
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267023	GG	On-Demand	Anodyne	P2RY12	94	39
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267023	GG	On-Demand	Anodyne	PRSS2	41	32
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267023	GG	On-Demand	Anodyne	EPHX2	56	45
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267023	GG	On-Demand	Anodyne	CCR8	25	40
CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267023	GG	On-Demand	Anodyne	BIRC2	16	41
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267025	GG	On-Demand	Anodyne	P2RY12	94	39
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267025	GG	On-Demand	Anodyne	PRSS2	41	32
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267025	GG	On-Demand	Anodyne	EPHX2	56	45
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267025	GG	On-Demand	Anodyne	CCR8	25	40
CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)CC1	ZINC000852267025	GG	On-Demand	Anodyne	BIRC2	16	41
O=C(NCCc1ccnc2ccccc12)NOC1CCCCC1	ZINC000852267026	DG	On-Demand	Anodyne	PREP	15	40
O=C(NCCc1ccnc2ccccc12)NOC1CCCCC1	ZINC000852267026	DG	On-Demand	Anodyne	MTNR1A	24	42
O=C(NCCc1ccnc2ccccc12)NOC1CCCCC1	ZINC000852267026	DG	On-Demand	Anodyne	MTNR1B	15	42
O=C(NCCc1ccnc2ccccc12)NOC1CCCCC1	ZINC000852267026	DG	On-Demand	Anodyne	HNMT	49	38
CCOC(=O)N1CCC([C@H](C)NC(=O)NCCc2noc3ccccc23)CC1	ZINC000852267053	GF	On-Demand	Anodyne	P2RY12	47	34
CCOC(=O)N1CCC([C@@H](C)NC(=O)NCCc2noc3ccccc23)CC1	ZINC000852267055	GF	On-Demand	Anodyne	P2RY12	47	34
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852267057	GF	On-Demand	Anodyne	P2RY12	64	36
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852267057	GF	On-Demand	Anodyne	REN	36	43
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852267057	GF	On-Demand	Anodyne	BIRC2	22	42
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)C1	ZINC000852267059	GF	On-Demand	Anodyne	P2RY12	64	36
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)C1	ZINC000852267059	GF	On-Demand	Anodyne	REN	36	43
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)C1	ZINC000852267059	GF	On-Demand	Anodyne	BIRC2	22	42
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOC1CCCCC1	ZINC000852267062	FH	On-Demand	Anodyne	DRD2	15	42
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOC1CCCCC1	ZINC000852267062	FH	On-Demand	Anodyne	DRD3	26	42
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOC1CCCCC1	ZINC000852267062	FH	On-Demand	Anodyne	CACNA1I	48	33
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOC1CCCCC1	ZINC000852267063	FH	On-Demand	Anodyne	DRD2	15	42
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOC1CCCCC1	ZINC000852267063	FH	On-Demand	Anodyne	DRD3	26	42
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOC1CCCCC1	ZINC000852267063	FH	On-Demand	Anodyne	CACNA1I	48	33
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)C1	ZINC000852267066	GF	On-Demand	Anodyne	P2RY12	64	36
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)C1	ZINC000852267066	GF	On-Demand	Anodyne	REN	36	43
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)C1	ZINC000852267066	GF	On-Demand	Anodyne	BIRC2	22	42
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852267067	GF	On-Demand	Anodyne	P2RY12	64	36
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852267067	GF	On-Demand	Anodyne	REN	36	43
CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)C1	ZINC000852267067	GF	On-Demand	Anodyne	BIRC2	22	42
O=C(NCc1ccc(Cl)cc1F)N[C@@H]1C=CCC1	ZINC000852267078	CF	On-Demand	Anodyne	P2RX7	68	41
O=C(NCc1ccc(Cl)cc1F)N[C@@H]1C=CCC1	ZINC000852267078	CF	On-Demand	Anodyne	EPHX2	19	43
O=C(NCc1ccc(Cl)cc1F)N[C@H]1C=CCC1	ZINC000852267079	CF	On-Demand	Anodyne	P2RX7	68	41
O=C(NCc1ccc(Cl)cc1F)N[C@H]1C=CCC1	ZINC000852267079	CF	On-Demand	Anodyne	EPHX2	19	43
COC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852267095	ED	On-Demand	Clean	MTNR1A	21	48
COC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852267095	ED	On-Demand	Clean	MTNR1B	20	48
COC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852267096	ED	On-Demand	Clean	MTNR1A	21	48
COC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852267096	ED	On-Demand	Clean	MTNR1B	20	48
O=C(NCc1ccc(Cl)cc1F)NCC1SCCS1	ZINC000852267164	DG	On-Demand	Anodyne	P2RX7	59	40
O=C(NCc1ccc(Cl)cc1F)N1CCC(N2CCOC2=O)CC1	ZINC000852267184	FF	On-Demand	Anodyne	P2RX7	46	43
O=C(NCc1ccc(Cl)cc1F)N1CCC(N2CCOC2=O)CC1	ZINC000852267184	FF	On-Demand	Anodyne	EPHX2	19	51
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852267234	GE	On-Demand	Anodyne	BIRC2	20	41
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852267234	GE	On-Demand	Anodyne	MBTPS1	51	34
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852267234	GE	On-Demand	Anodyne	HCN1	40	31
CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852267234	GE	On-Demand	Anodyne	HCN4	40	31
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852267235	GE	On-Demand	Anodyne	BIRC2	20	41
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852267235	GE	On-Demand	Anodyne	MBTPS1	51	34
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852267235	GE	On-Demand	Anodyne	HCN1	40	31
CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NC[C@@H](O)c2ccccc2OC)C1	ZINC000852267235	GE	On-Demand	Anodyne	HCN4	40	31
C[C@@](O)(CCNC(=O)N1CCC(c2ccon2)CC1)c1ccccc1	ZINC000852267274	EF	On-Demand	Anodyne	SMO	35	40
C[C@@](O)(CCNC(=O)N1CCC(c2ccon2)CC1)c1ccccc1	ZINC000852267274	EF	On-Demand	Anodyne	ETHR	41	35
COc1cccc(OC)c1CNC(=O)NOC1CCCCC1	ZINC000852267281	DF	On-Demand	Anodyne	KCNA3	41	37
C[C@@](O)(CCNC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1	ZINC000852267319	FD	On-Demand	Anodyne	CYP2J2	46	34
C[C@@](O)(CCNC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccccc1	ZINC000852267322	FD	On-Demand	Anodyne	CYP2J2	46	34
O=C(NCC1CCN(C2CCOCC2)CC1)NOCCC(F)(F)F	ZINC000852267327	FE	On-Demand	Anodyne	CACNA1I	43	36
C[C@@](O)(CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1	ZINC000852267346	GF	On-Demand	Clean	CYP2J2	44	31
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCCC(F)(F)F	ZINC000852267372	FE	On-Demand	Anodyne	ACHE	33	49
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCCC(F)(F)F	ZINC000852267372	FE	On-Demand	Anodyne	SIGMAR1	24	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCCC(F)(F)F	ZINC000852267372	FE	On-Demand	Anodyne	CCR3	25	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCCC(F)(F)F	ZINC000852267372	FE	On-Demand	Anodyne	CACNA1I	79	44
O=C(NOCCC(F)(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852267379	FH	On-Demand	Anodyne	KCNH2	44	42
C[C@@](O)(CCNC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)c1ccccc1	ZINC000852267382	GG	On-Demand	Anodyne	NPY1R	25	41
C[C@@](O)(CCNC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)c1ccccc1	ZINC000852267384	GG	On-Demand	Anodyne	NPY1R	25	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC[C@](C)(O)c1ccccc1	ZINC000852267391	DG	On-Demand	Mild	CYP2J2	43	32
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC[C@@](C)(O)c1ccccc1	ZINC000852267392	DG	On-Demand	Mild	CYP2J2	43	32
C[C@@](O)(CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852267414	GH	On-Demand	Anodyne	EPHX2	15	55
C[C@@](O)(CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852267414	GH	On-Demand	Anodyne	SCD1	21	44
C[C@@](O)(CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852267414	GH	On-Demand	Anodyne	SCD	29	42
C[C@@](O)(CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852267414	GH	On-Demand	Anodyne	TRPM8	30	55
COc1cccc([C@]2(C)CCN(C(=O)NOCCC(F)(F)F)C2)c1	ZINC000852267477	EG	On-Demand	Anodyne	DRD4	41	31
CC1(C)CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)O1	ZINC000852267491	CE	On-Demand	Reactive	F10	46	30
Cc1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2Br)c1	ZINC000852267520	FI	On-Demand	Mild	KCNK3	87	40
Cc1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2Br)c1	ZINC000852267520	FI	On-Demand	Mild	KCNK9	64	40
Cc1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2Br)c1	ZINC000852267521	FI	On-Demand	Mild	KCNK3	87	40
Cc1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2Br)c1	ZINC000852267521	FI	On-Demand	Mild	KCNK9	64	40
COc1ccc(N2CC[C@H](NC(=O)NOC3CCCCC3)C2)cc1	ZINC000852267544	EF	On-Demand	Clean	HRH4	33	41
COc1ccc(N2CC[C@H](NC(=O)NOC3CCCCC3)C2)cc1	ZINC000852267544	EF	On-Demand	Clean	EPHX2	20	47
O=C(NOCCC(F)(F)F)N1CCC(c2ccon2)CC1	ZINC000852267587	DE	On-Demand	Anodyne	ETHR	73	40
O=C(NCCc1ccnc2ccccc12)NOCCC(F)(F)F	ZINC000852267590	EF	On-Demand	Anodyne	MTNR1A	18	42
C[C@@](O)(CCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267596	FF	On-Demand	Anodyne	CHRM2	20	59
C[C@@](O)(CCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267596	FF	On-Demand	Anodyne	CHRM1	17	59
C[C@@](O)(CCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267596	FF	On-Demand	Anodyne	CHRM4	26	59
C[C@@](O)(CCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267596	FF	On-Demand	Anodyne	CHRM3	32	59
C[C@@](O)(CCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267596	FF	On-Demand	Anodyne	CCR3	42	37
C[C@@](O)(CCNC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267599	FF	On-Demand	Anodyne	CHRM2	20	59
C[C@@](O)(CCNC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267599	FF	On-Demand	Anodyne	CHRM1	17	59
C[C@@](O)(CCNC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267599	FF	On-Demand	Anodyne	CHRM4	26	59
C[C@@](O)(CCNC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267599	FF	On-Demand	Anodyne	CHRM3	32	59
C[C@@](O)(CCNC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852267599	FF	On-Demand	Anodyne	CCR3	42	37
COC(=O)c1ccc(CNC(=O)NOCCC(F)(F)F)c(F)c1	ZINC000852267605	EE	On-Demand	Anodyne	BDKRB1	25	40
COC(=O)c1ccc(CNC(=O)NCC[C@](C)(O)c2ccccc2)c(F)c1	ZINC000852267657	FF	On-Demand	Anodyne	BDKRB1	27	43
COC(=O)c1ccc(CNC(=O)NCC[C@@](C)(O)c2ccccc2)c(F)c1	ZINC000852267658	FF	On-Demand	Anodyne	BDKRB1	27	43
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NOCCC(F)(F)F)CCC2	ZINC000852267671	FG	On-Demand	Anodyne	NQO2	20	44
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NOCCC(F)(F)F)CCC2	ZINC000852267672	FG	On-Demand	Anodyne	NQO2	20	44
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	CHRM2	21	43
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	CHRM1	22	44
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	ACHE	24	43
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	HRH1	18	40
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	HTR4	52	36
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	CHRM4	23	43
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	CHRM3	43	44
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	SIGMAR1	22	45
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	CCR3	37	40
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	CACNA1I	82	46
C[C@@](O)(CCNC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852267686	FF	On-Demand	Anodyne	CYP2J2	46	35
O=C(NCc1ccc(Cl)c(Cl)c1)NOCCC(F)(F)F	ZINC000852267687	EH	On-Demand	Anodyne	DNAE	42	32
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1	ZINC000852267727	GG	On-Demand	Anodyne	EPHX2	26	48
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2C(C)(C)C2(F)F)CC1	ZINC000852267728	GG	On-Demand	Anodyne	EPHX2	26	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1	ZINC000852267729	GG	On-Demand	Anodyne	EPHX2	26	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@H]2C(C)(C)C2(F)F)CC1	ZINC000852267730	GG	On-Demand	Anodyne	EPHX2	26	48
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852267735	GD	On-Demand	Reactive	GPR119	34	41
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852267736	GD	On-Demand	Reactive	GPR119	34	41
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852267737	GD	On-Demand	Reactive	GPR119	34	41
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852267738	GD	On-Demand	Reactive	GPR119	34	41
C[C@@](O)(CCNC(=O)NCCCC1CCC1)c1ccccc1	ZINC000852267753	DG	On-Demand	Anodyne	AMY2	47	33
CC(C)(C)N1CC[C@@H](NC(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267797	EE	On-Demand	Anodyne	CHRM2	20	41
CC(C)(C)N1CC[C@@H](NC(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267797	EE	On-Demand	Anodyne	CHRM1	21	41
CC(C)(C)N1CC[C@@H](NC(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267797	EE	On-Demand	Anodyne	CHRM3	40	41
CC(C)(C)N1CC[C@H](NC(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267798	EE	On-Demand	Anodyne	CHRM2	20	41
CC(C)(C)N1CC[C@H](NC(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267798	EE	On-Demand	Anodyne	CHRM1	21	41
CC(C)(C)N1CC[C@H](NC(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267798	EE	On-Demand	Anodyne	CHRM3	40	41
CC(C)(C)N1CC[C@H](NC(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267799	EE	On-Demand	Anodyne	CHRM2	20	41
CC(C)(C)N1CC[C@H](NC(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267799	EE	On-Demand	Anodyne	CHRM1	21	41
CC(C)(C)N1CC[C@H](NC(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267799	EE	On-Demand	Anodyne	CHRM3	40	41
CC(C)(C)N1CC[C@@H](NC(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267800	EE	On-Demand	Anodyne	CHRM2	20	41
CC(C)(C)N1CC[C@@H](NC(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267800	EE	On-Demand	Anodyne	CHRM1	21	41
CC(C)(C)N1CC[C@@H](NC(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267800	EE	On-Demand	Anodyne	CHRM3	40	41
COc1ccc(N2CC[C@H](NC(=O)NCC[C@](C)(O)c3ccccc3)C2)cc1	ZINC000852267805	GF	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@](C)(O)c3ccccc3)C2)cc1	ZINC000852267805	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@](C)(O)c3ccccc3)C2)cc1	ZINC000852267805	GF	On-Demand	Clean	MCHR1	16	44
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@](C)(O)c3ccccc3)C2)cc1	ZINC000852267807	GF	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@](C)(O)c3ccccc3)C2)cc1	ZINC000852267807	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@](C)(O)c3ccccc3)C2)cc1	ZINC000852267807	GF	On-Demand	Clean	MCHR1	16	44
C[C@@](O)(CCNC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccccc1	ZINC000852267825	GE	On-Demand	Anodyne	CACNA1I	57	41
C[C@@](O)(CCNC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccccc1	ZINC000852267825	GE	On-Demand	Anodyne	CYP2J2	44	33
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCC2SCCS2)CC1	ZINC000852267835	GF	On-Demand	Anodyne	EPHX2	27	51
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCC2SCCS2)CC1	ZINC000852267836	GF	On-Demand	Anodyne	EPHX2	27	51
C[C@@](O)(CCNC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852267880	ED	On-Demand	Anodyne	CYP2J2	45	33
C[C@@](O)(CCNC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852267882	ED	On-Demand	Anodyne	CYP2J2	45	33
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852267891	DF	On-Demand	Anodyne	GPR119	20	40
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852267892	DF	On-Demand	Anodyne	GPR119	20	40
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852267893	DF	On-Demand	Anodyne	GPR119	20	40
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852267894	DF	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(c3ccco3)CC2)CC1	ZINC000852267895	GH	On-Demand	Anodyne	EPHX2	19	40
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(c3ccco3)CC2)CC1	ZINC000852267895	GH	On-Demand	Anodyne	GPR119	39	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(c3ccco3)CC2)CC1	ZINC000852267896	GH	On-Demand	Anodyne	EPHX2	19	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(c3ccco3)CC2)CC1	ZINC000852267896	GH	On-Demand	Anodyne	GPR119	39	40
C[C@@](O)(CCNC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1ccccc1	ZINC000852267899	FG	On-Demand	Anodyne	AMY2	46	32
C[C@@](O)(CCNC(=O)N1CCC([C@H]2CCCCO2)CC1)c1ccccc1	ZINC000852267900	FG	On-Demand	Anodyne	AMY2	46	32
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@@](C)(O)c3ccccc3)C2)c1	ZINC000852267917	GH	On-Demand	Anodyne	DRD4	43	33
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@](C)(O)c3ccccc3)C2)c1	ZINC000852267919	GH	On-Demand	Anodyne	DRD4	43	33
O=C(NCCC1SCCS1)NCC1CCN(CC(F)(F)F)CC1	ZINC000852267937	FF	On-Demand	Anodyne	CACNA1I	47	35
C[C@@](O)(CCNC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852267940	FF	On-Demand	Anodyne	CHRM1	24	44
C[C@@](O)(CCNC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852267940	FF	On-Demand	Anodyne	AMY2	45	30
C[C@@](O)(CCNC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852267940	FF	On-Demand	Anodyne	SLC6A5	22	46
C[C@@](O)(CCNC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852267940	FF	On-Demand	Anodyne	EPHX2	24	45
C[C@@](O)(CCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852267943	FF	On-Demand	Anodyne	CHRM1	24	44
C[C@@](O)(CCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852267943	FF	On-Demand	Anodyne	AMY2	45	30
C[C@@](O)(CCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852267943	FF	On-Demand	Anodyne	SLC6A5	22	46
C[C@@](O)(CCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852267943	FF	On-Demand	Anodyne	EPHX2	24	45
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852267944	EC	On-Demand	Anodyne	EPHX2	21	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852267944	EC	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852267945	EC	On-Demand	Anodyne	EPHX2	21	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852267945	EC	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852267946	EC	On-Demand	Anodyne	EPHX2	21	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852267946	EC	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852267947	EC	On-Demand	Anodyne	EPHX2	21	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852267947	EC	On-Demand	Anodyne	GPR119	34	41
Cc1cncc(CCNC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000852267952	GE	On-Demand	Anodyne	GPR119	40	41
Cc1cncc(CCNC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)n1	ZINC000852267953	GE	On-Demand	Anodyne	GPR119	40	41
C[C@@](O)(CCNC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852267969	FF	On-Demand	Anodyne	SCN2A	18	43
C[C@@](O)(CCNC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852267969	FF	On-Demand	Anodyne	SCN10A	23	43
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCC[C@]2(C)CC2(F)F)CC1	ZINC000852267978	GH	On-Demand	Anodyne	EPHX2	24	46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCC[C@@]2(C)CC2(F)F)CC1	ZINC000852267979	GH	On-Demand	Anodyne	EPHX2	24	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCC[C@@]2(C)CC2(F)F)CC1	ZINC000852267980	GH	On-Demand	Anodyne	EPHX2	24	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCC[C@]2(C)CC2(F)F)CC1	ZINC000852267981	GH	On-Demand	Anodyne	EPHX2	24	46
O=C(NCC1CCN(CC(F)(F)F)CC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852267992	GE	On-Demand	Anodyne	CACNA1I	47	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267995	FG	On-Demand	Anodyne	NPY2R	31	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267995	FG	On-Demand	Anodyne	AMY2	47	34
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267995	FG	On-Demand	Anodyne	CYP2J2	47	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267995	FG	On-Demand	Anodyne	SFRP1	65	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267995	FG	On-Demand	Anodyne	WNT3	54	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267996	FG	On-Demand	Anodyne	NPY2R	31	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267996	FG	On-Demand	Anodyne	AMY2	47	34
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267996	FG	On-Demand	Anodyne	CYP2J2	47	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267996	FG	On-Demand	Anodyne	SFRP1	65	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267996	FG	On-Demand	Anodyne	WNT3	54	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267997	FG	On-Demand	Anodyne	NPY2R	31	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267997	FG	On-Demand	Anodyne	AMY2	47	34
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267997	FG	On-Demand	Anodyne	CYP2J2	47	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267997	FG	On-Demand	Anodyne	SFRP1	65	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@@](C)(O)c2ccccc2)C1	ZINC000852267997	FG	On-Demand	Anodyne	WNT3	54	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267998	FG	On-Demand	Anodyne	NPY2R	31	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267998	FG	On-Demand	Anodyne	AMY2	47	34
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267998	FG	On-Demand	Anodyne	CYP2J2	47	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267998	FG	On-Demand	Anodyne	SFRP1	65	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)C1	ZINC000852267998	FG	On-Demand	Anodyne	WNT3	54	35
C[C@@](O)(CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852268007	FD	On-Demand	Anodyne	CYP2J2	44	32
C[C@@](O)(CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852268010	FD	On-Demand	Anodyne	CYP2J2	44	32
O=C(NC[C@H]1CCC=CO1)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852268034	FH	On-Demand	Anodyne	P2RY14	40	35
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1	ZINC000852268127	GF	On-Demand	Anodyne	EPHX2	21	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1	ZINC000852268128	GF	On-Demand	Anodyne	EPHX2	21	48
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1	ZINC000852268129	GF	On-Demand	Anodyne	EPHX2	21	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@H]2CCN2C(C)(C)C)CC1	ZINC000852268130	GF	On-Demand	Anodyne	EPHX2	21	48
COC(=O)N(C)CCNC(=O)NCCc1cn(C)c2cc(Cl)ccc12	ZINC000852268143	FE	On-Demand	Anodyne	MTNR1A	15	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852268148	GI	On-Demand	Anodyne	EPHX2	28	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852268148	GI	On-Demand	Anodyne	GPR119	41	38
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852268149	GI	On-Demand	Anodyne	EPHX2	28	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852268149	GI	On-Demand	Anodyne	GPR119	41	38
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCC2=CCCC2)CC1	ZINC000852268162	EG	On-Demand	Anodyne	EPHX2	34	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCC2=CCCC2)CC1	ZINC000852268162	EG	On-Demand	Anodyne	GPR119	40	39
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCC2=CCCC2)CC1	ZINC000852268163	EG	On-Demand	Anodyne	EPHX2	34	45
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCC2=CCCC2)CC1	ZINC000852268163	EG	On-Demand	Anodyne	GPR119	40	39
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)CC1	ZINC000852268170	FF	On-Demand	Anodyne	EPHX2	15	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H]2COC3(CCC3)C2)CC1	ZINC000852268171	FF	On-Demand	Anodyne	EPHX2	15	48
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)CC1	ZINC000852268172	FF	On-Demand	Anodyne	EPHX2	15	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H]2COC3(CCC3)C2)CC1	ZINC000852268173	FF	On-Demand	Anodyne	EPHX2	15	48
C[C@@](O)(CCNC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852268182	FD	On-Demand	Anodyne	WNT3	44	36
C=CCOCCCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852268184	FF	On-Demand	Mild	EPHX2	17	45
C=CCOCCCNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852268185	FF	On-Demand	Mild	EPHX2	17	45
O=C(NCC1CCN(CC(F)(F)F)CC1)NCC1SCCS1	ZINC000852268202	FE	On-Demand	Anodyne	CACNA1I	55	37
O=C(NC[C@H]1CCC=CO1)N1CCC(c2ccon2)CC1	ZINC000852268237	CE	On-Demand	Anodyne	SMO	32	40
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CCC=CO1	ZINC000852268273	DG	On-Demand	Anodyne	DNAE	68	32
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCC=CO1	ZINC000852268274	DG	On-Demand	Anodyne	DNAE	68	32
COC[C@H](NC(=O)NCC[C@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852268278	FE	On-Demand	Anodyne	AMY2	44	30
COC[C@@H](NC(=O)NCC[C@@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852268279	FE	On-Demand	Anodyne	AMY2	44	30
COC[C@@H](NC(=O)NCC[C@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852268280	FE	On-Demand	Anodyne	AMY2	44	30
COC[C@H](NC(=O)NCC[C@@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852268281	FE	On-Demand	Anodyne	AMY2	44	30
CN(Cc1cnc[nH]1)C(=O)NCC[C@](C)(O)c1ccccc1	ZINC000852268286	DD	On-Demand	Anodyne	TAAR1	25	45
CN(Cc1cnc[nH]1)C(=O)NCC[C@@](C)(O)c1ccccc1	ZINC000852268287	DD	On-Demand	Anodyne	TAAR1	25	45
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCO[C@@H]2CC2(F)F)CC1	ZINC000852268288	GE	On-Demand	Anodyne	EPHX2	25	48
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCO[C@H]2CC2(F)F)CC1	ZINC000852268289	GE	On-Demand	Anodyne	EPHX2	25	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCO[C@@H]2CC2(F)F)CC1	ZINC000852268290	GE	On-Demand	Anodyne	EPHX2	25	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCO[C@H]2CC2(F)F)CC1	ZINC000852268291	GE	On-Demand	Anodyne	EPHX2	25	48
CC[C@@H](NC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000852268301	EG	On-Demand	Anodyne	EPHX2	24	46
O=C(NCC1CCN(CC(F)(F)F)CC1)NNC(=O)c1cccc(F)n1	ZINC000852268330	GD	On-Demand	Reactive	CACNA1I	62	38
O=C(NCC1CCN(CC(F)(F)F)CC1)NNC(=O)c1cccc(F)n1	ZINC000852268330	GD	On-Demand	Reactive	HPGDS	36	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCCc2ccco2)CC1	ZINC000852268336	FG	On-Demand	Anodyne	EPHX2	32	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCCc2ccco2)CC1	ZINC000852268338	FG	On-Demand	Anodyne	EPHX2	32	40
Cn1ncc(C2CC2)c1CNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852268347	GF	On-Demand	Anodyne	GPR119	42	39
Cn1ncc(C2CC2)c1CNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852268349	GF	On-Demand	Anodyne	GPR119	42	39
C[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC[C@@H](C)O1	ZINC000852268356	FF	On-Demand	Anodyne	GPR119	35	40
C[C@H]1CN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC[C@@H](C)O1	ZINC000852268358	FF	On-Demand	Anodyne	GPR119	35	40
C[C@@](O)(CCNC(=O)N[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852268381	DD	On-Demand	Anodyne	AMY2	45	31
C[C@@](O)(CCNC(=O)N[C@H](CO)C1CCC1)c1ccccc1	ZINC000852268383	DD	On-Demand	Anodyne	AMY2	45	31
COC1CC(CCNC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852268402	FF	On-Demand	Anodyne	EPHX2	20	46
COC1CC(CCNC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852268403	FF	On-Demand	Anodyne	EPHX2	20	46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H](CO)C2CCC2)CC1	ZINC000852268404	FE	On-Demand	Anodyne	EPHX2	19	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H](CO)C2CCC2)CC1	ZINC000852268405	FE	On-Demand	Anodyne	EPHX2	19	46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H](CO)C2CCC2)CC1	ZINC000852268406	FE	On-Demand	Anodyne	EPHX2	19	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H](CO)C2CCC2)CC1	ZINC000852268407	FE	On-Demand	Anodyne	EPHX2	19	46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCOCCF)CC1	ZINC000852268410	EE	On-Demand	Anodyne	EPHX2	23	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCOCCF)CC1	ZINC000852268411	EE	On-Demand	Anodyne	EPHX2	23	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3COC[C@@H]3C2)CC1	ZINC000852268416	FE	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3COC[C@H]3C2)CC1	ZINC000852268417	FE	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1	ZINC000852268418	FE	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3COC[C@H]3C2)CC1	ZINC000852268420	FE	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852268495	GG	On-Demand	Anodyne	GPR119	42	40
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852268495	GG	On-Demand	Anodyne	SMO	25	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852268497	GG	On-Demand	Anodyne	GPR119	42	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC(c3ccon3)CC2)CC1	ZINC000852268497	GG	On-Demand	Anodyne	SMO	25	42
O=C(NCC1CCN(CC(F)(F)F)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852268500	GD	On-Demand	Anodyne	CACNA1I	46	33
O=C(NCC1CCN(CC(F)(F)F)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852268503	GD	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCC2(C#N)CCCCC2)CC1	ZINC000852268602	GH	On-Demand	Mild	EPHX2	28	47
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCC2(C#N)CCCCC2)CC1	ZINC000852268608	GH	On-Demand	Mild	EPHX2	28	47
COc1ccc(N2CC[C@H](NC(=O)NCC3(N(C)C)CCC3)C2)cc1	ZINC000852268637	EE	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(N(C)C)CCC3)C2)cc1	ZINC000852268637	EE	On-Demand	Clean	MTNR1B	20	45
O=C(NC[C@H]1CCC=CO1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852268652	EG	On-Demand	Anodyne	TRPM8	22	51
COC(=O)c1ccc(CNC(=O)N[C@H]2CC[C@H](C)C2)c(F)c1	ZINC000852268692	DF	On-Demand	Anodyne	BDKRB1	27	40
COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C)C2)c(F)c1	ZINC000852268693	DF	On-Demand	Anodyne	BDKRB1	27	40
COC(=O)c1ccc(CNC(=O)N[C@H]2CC[C@@H](C)C2)c(F)c1	ZINC000852268694	DF	On-Demand	Anodyne	BDKRB1	27	40
COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C)C2)c(F)c1	ZINC000852268695	DF	On-Demand	Anodyne	BDKRB1	27	40
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCc1ncccn1	ZINC000852268764	ED	On-Demand	Anodyne	GPR119	50	47
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)NCc1ncccn1	ZINC000852268766	ED	On-Demand	Anodyne	GPR119	50	47
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCc1ncccn1	ZINC000852268769	ED	On-Demand	Anodyne	GPR119	50	47
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)NCc1ncccn1	ZINC000852268771	ED	On-Demand	Anodyne	GPR119	50	47
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCC(F)(F)C(C)(C)C)CC1	ZINC000852268773	GH	On-Demand	Anodyne	EPHX2	30	49
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCC(F)(F)C(C)(C)C)CC1	ZINC000852268775	GH	On-Demand	Anodyne	EPHX2	30	49
C[C@@](O)(CCNC(=O)N1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852268784	EH	On-Demand	Anodyne	CHRM2	25	43
C[C@@](O)(CCNC(=O)N1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852268784	EH	On-Demand	Anodyne	CHRM1	26	43
C[C@@](O)(CCNC(=O)N1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852268784	EH	On-Demand	Anodyne	CHRM3	49	43
C[C@@](O)(CCNC(=O)N1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852268784	EH	On-Demand	Anodyne	AMY2	45	32
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H]2COC(C)(C)C2)CC1	ZINC000852268788	FF	On-Demand	Anodyne	EPHX2	18	48
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2COC(C)(C)C2)CC1	ZINC000852268791	FF	On-Demand	Anodyne	EPHX2	18	48
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H]2COC(C)(C)C2)CC1	ZINC000852268794	FF	On-Demand	Anodyne	EPHX2	18	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CCC=CO1	ZINC000852268796	EE	On-Demand	Anodyne	ACHE	27	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CCC=CO1	ZINC000852268796	EE	On-Demand	Anodyne	SIGMAR1	25	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CCC=CO1	ZINC000852268796	EE	On-Demand	Anodyne	SSTR5	40	34
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CCC=CO1	ZINC000852268796	EE	On-Demand	Anodyne	CCR3	17	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CCC=CO1	ZINC000852268796	EE	On-Demand	Anodyne	CACNA1I	61	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H]2COC(C)(C)C2)CC1	ZINC000852268797	FF	On-Demand	Anodyne	EPHX2	18	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CCC=CO1	ZINC000852268799	EE	On-Demand	Anodyne	ACHE	27	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CCC=CO1	ZINC000852268799	EE	On-Demand	Anodyne	SIGMAR1	25	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CCC=CO1	ZINC000852268799	EE	On-Demand	Anodyne	SSTR5	40	34
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CCC=CO1	ZINC000852268799	EE	On-Demand	Anodyne	CCR3	17	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CCC=CO1	ZINC000852268799	EE	On-Demand	Anodyne	CACNA1I	61	41
C[C@@](O)(CCNC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852268800	FE	On-Demand	Anodyne	AMY2	43	30
Cc1ccncc1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C	ZINC000852268809	GF	On-Demand	Anodyne	GPR119	39	45
Cc1ccncc1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000852268811	GF	On-Demand	Anodyne	GPR119	39	45
Cc1ccncc1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C	ZINC000852268813	GF	On-Demand	Anodyne	GPR119	39	45
Cc1ccncc1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000852268816	GF	On-Demand	Anodyne	GPR119	39	45
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852268867	GD	On-Demand	Anodyne	GPR119	26	42
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852268869	GD	On-Demand	Anodyne	GPR119	26	42
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852268871	GD	On-Demand	Anodyne	GPR119	26	42
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852268873	GD	On-Demand	Anodyne	GPR119	26	42
COCc1csc(CNC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852268888	GG	On-Demand	Anodyne	EPHX2	26	43
COCc1csc(CNC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000852268891	GG	On-Demand	Anodyne	EPHX2	26	43
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852268897	EF	On-Demand	Anodyne	GPR119	29	44
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852268899	EF	On-Demand	Anodyne	GPR119	29	44
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852268902	EF	On-Demand	Anodyne	GPR119	29	44
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852268905	EF	On-Demand	Anodyne	GPR119	29	44
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1CCN(CC(F)(F)F)CC1	ZINC000852268917	GD	On-Demand	Anodyne	CACNA1I	49	37
O=C(NCC[S@](=O)CC(F)(F)F)NCC1CCN(CC(F)(F)F)CC1	ZINC000852268921	GD	On-Demand	Anodyne	CACNA1I	49	37
COC(=O)N(C)CCNC(=O)NCC1CCN(CC(F)(F)F)CC1	ZINC000852268923	FD	On-Demand	Anodyne	CACNA1I	53	36
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCCc1ccc(C#N)cc1	ZINC000852269025	GG	On-Demand	Mild	GPR119	38	48
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCCc1ccc(C#N)cc1	ZINC000852269026	GG	On-Demand	Mild	GPR119	38	48
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)NCCc1ccc(C#N)cc1	ZINC000852269027	GG	On-Demand	Mild	GPR119	38	48
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)NCCc1ccc(C#N)cc1	ZINC000852269028	GG	On-Demand	Mild	GPR119	38	48
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852269051	GG	On-Demand	Reactive	EPHX2	32	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852269051	GG	On-Demand	Reactive	GPR119	51	39
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852269052	GG	On-Demand	Reactive	EPHX2	32	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852269052	GG	On-Demand	Reactive	GPR119	51	39
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@@]2(C)CC2(F)F)CC1	ZINC000852269061	FG	On-Demand	Anodyne	EPHX2	37	50
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@@]2(C)CC2(F)F)CC1	ZINC000852269061	FG	On-Demand	Anodyne	GPR119	42	38
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@]2(C)CC2(F)F)CC1	ZINC000852269062	FG	On-Demand	Anodyne	EPHX2	37	50
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NC[C@]2(C)CC2(F)F)CC1	ZINC000852269062	FG	On-Demand	Anodyne	GPR119	42	38
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@@]2(C)CC2(F)F)CC1	ZINC000852269063	FG	On-Demand	Anodyne	EPHX2	37	50
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@@]2(C)CC2(F)F)CC1	ZINC000852269063	FG	On-Demand	Anodyne	GPR119	42	38
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@]2(C)CC2(F)F)CC1	ZINC000852269064	FG	On-Demand	Anodyne	EPHX2	37	50
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NC[C@]2(C)CC2(F)F)CC1	ZINC000852269064	FG	On-Demand	Anodyne	GPR119	42	38
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ncccn2)CC1	ZINC000852269104	EE	On-Demand	Anodyne	EPHX2	41	47
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ncccn2)CC1	ZINC000852269104	EE	On-Demand	Anodyne	GPR119	51	50
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2ncccn2)CC1	ZINC000852269105	EE	On-Demand	Anodyne	EPHX2	41	47
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2ncccn2)CC1	ZINC000852269105	EE	On-Demand	Anodyne	GPR119	51	50
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852269107	FH	On-Demand	Mild	GPR119	31	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852269109	FH	On-Demand	Mild	GPR119	31	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2nc(C(N)=O)cs2)CC1	ZINC000852269123	GD	On-Demand	Anodyne	EPHX2	23	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCc2nc(C(N)=O)cs2)CC1	ZINC000852269124	GD	On-Demand	Anodyne	EPHX2	23	45
C=CCOCCCNC(=O)NCC[C@](C)(O)c1ccccc1	ZINC000852269153	DE	On-Demand	Mild	AMY2	43	30
C=CCOCCCNC(=O)NCC[C@@](C)(O)c1ccccc1	ZINC000852269156	DE	On-Demand	Mild	AMY2	43	30
C[C@H]1CC[C@H](NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852269207	DE	On-Demand	Anodyne	EPHX2	16	47
C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852269209	DE	On-Demand	Anodyne	EPHX2	16	47
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H]3COC[C@@H]3C2)C1	ZINC000852269248	FE	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H]3COC[C@H]3C2)C1	ZINC000852269250	FE	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@H]3COC[C@H]3C2)C1	ZINC000852269252	FE	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@H]3COC[C@@H]3C2)C1	ZINC000852269254	FE	On-Demand	Anodyne	GPR119	28	42
C[C@@H]1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852269457	DE	On-Demand	Anodyne	PYGL	34	51
C[C@@H]1CC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852269457	DE	On-Demand	Anodyne	PYGM	32	51
C[C@@H]1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852269460	DE	On-Demand	Anodyne	PYGL	34	51
C[C@@H]1CC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C1	ZINC000852269460	DE	On-Demand	Anodyne	PYGM	32	51
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852269505	GG	On-Demand	Mild	EPHX2	31	45
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852269505	GG	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852269505	GG	On-Demand	Mild	GPR119	46	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852269506	GG	On-Demand	Mild	EPHX2	31	45
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852269506	GG	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852269506	GG	On-Demand	Mild	GPR119	46	46
C[C@@](O)(CCNC(=O)N1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852269540	EH	On-Demand	Anodyne	CACNA1G	36	40
C[C@@](O)(CCNC(=O)N1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852269543	EH	On-Demand	Anodyne	CACNA1G	36	40
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCc2ccoc2)CC1	ZINC000852269548	FF	On-Demand	Anodyne	EPHX2	34	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCc2ccoc2)CC1	ZINC000852269548	FF	On-Demand	Anodyne	GPR119	45	38
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCc2ccoc2)CC1	ZINC000852269549	FF	On-Demand	Anodyne	EPHX2	34	44
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCc2ccoc2)CC1	ZINC000852269549	FF	On-Demand	Anodyne	GPR119	45	38
COc1ccc([C@@H]2CCCN2C(=O)NCC[C@@](C)(O)c2ccccc2)cc1F	ZINC000852269568	GH	On-Demand	Anodyne	ADRA1A	45	38
COc1ccc([C@@H]2CCCN2C(=O)NCC[C@@](C)(O)c2ccccc2)cc1F	ZINC000852269568	GH	On-Demand	Anodyne	ACKR3	55	31
COc1ccc([C@@H]2CCCN2C(=O)NCC[C@](C)(O)c2ccccc2)cc1F	ZINC000852269569	GH	On-Demand	Anodyne	ADRA1A	45	38
COc1ccc([C@@H]2CCCN2C(=O)NCC[C@](C)(O)c2ccccc2)cc1F	ZINC000852269569	GH	On-Demand	Anodyne	ACKR3	55	31
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1CCC=CO1	ZINC000852269580	DE	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1CCC=CO1	ZINC000852269580	DE	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1CCC=CO1	ZINC000852269581	DE	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1CCC=CO1	ZINC000852269581	DE	On-Demand	Anodyne	SCN10A	19	42
O=C(NC[C@H]1CCC=CO1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852269604	EG	On-Demand	Anodyne	KCNH2	41	38
C=C[C@H](CO)NC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852269708	ED	On-Demand	Mild	EPHX2	19	47
C=C[C@H](CO)NC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852269709	ED	On-Demand	Mild	EPHX2	19	47
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852269721	GI	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852269721	GI	On-Demand	Anodyne	WNT3	42	35
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852269722	GI	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852269722	GI	On-Demand	Anodyne	WNT3	42	35
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852269723	GI	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852269723	GI	On-Demand	Anodyne	WNT3	42	35
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852269724	GI	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852269724	GI	On-Demand	Anodyne	WNT3	42	35
C[C@@](O)(CCNC(=O)NC[C@H](OC1CCCC1)C(F)(F)F)c1ccccc1	ZINC000852269729	GG	On-Demand	Anodyne	AMY2	48	33
C[C@@](O)(CCNC(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccccc1	ZINC000852269730	GG	On-Demand	Anodyne	AMY2	48	33
C[C@@](O)(CCNC(=O)NCCc1ccnc2ccccc12)c1ccccc1	ZINC000852269736	FG	On-Demand	Anodyne	MTNR1A	31	43
C[C@@](O)(CCNC(=O)NCCc1ccnc2ccccc12)c1ccccc1	ZINC000852269736	FG	On-Demand	Anodyne	MTNR1B	21	43
C=CCCNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852269742	DF	On-Demand	Mild	EPHX2	21	46
C=CCCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852269743	DF	On-Demand	Mild	EPHX2	21	46
COCCN(CCF)C(=O)NCC1CCN(CC(F)(F)F)CC1	ZINC000852269762	ED	On-Demand	Anodyne	CACNA1I	55	35
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852269781	GE	On-Demand	Anodyne	EPHX2	15	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852269781	GE	On-Demand	Anodyne	GPR119	35	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852269782	GE	On-Demand	Anodyne	EPHX2	15	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852269782	GE	On-Demand	Anodyne	GPR119	35	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852269783	GE	On-Demand	Anodyne	EPHX2	15	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852269783	GE	On-Demand	Anodyne	GPR119	35	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852269785	GE	On-Demand	Anodyne	EPHX2	15	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852269785	GE	On-Demand	Anodyne	GPR119	35	43
C[C@@](O)(CCNC(=O)NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000852269790	EF	On-Demand	Mild	CTRB_BOVIN	49	40
O=C(NCC1CCN(CC2CC2)CC1)NC[C@@H]1CCC=CO1	ZINC000852269836	DE	On-Demand	Anodyne	CACNA1I	52	34
O=C(NCC1CCN(CC2CC2)CC1)NC[C@H]1CCC=CO1	ZINC000852269839	DE	On-Demand	Anodyne	CACNA1I	52	34
Cc1cc(C(F)(F)F)ccc1CNC(=O)N[C@@H]1C=CCC1	ZINC000852269845	CH	On-Demand	Anodyne	CCR2	54	40
Cc1cc(C(F)(F)F)ccc1CNC(=O)N[C@@H]1C=CCC1	ZINC000852269845	CH	On-Demand	Anodyne	EPHX2	22	41
Cc1cc(C(F)(F)F)ccc1CNC(=O)N[C@H]1C=CCC1	ZINC000852269847	CH	On-Demand	Anodyne	CCR2	54	40
Cc1cc(C(F)(F)F)ccc1CNC(=O)N[C@H]1C=CCC1	ZINC000852269847	CH	On-Demand	Anodyne	EPHX2	22	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852269853	GG	On-Demand	Anodyne	CCR3	33	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852269855	GG	On-Demand	Anodyne	CCR3	33	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852269856	GG	On-Demand	Anodyne	CCR3	33	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852269857	GG	On-Demand	Anodyne	CCR3	33	40
O=C(N[C@H]1CCOc2c(F)cccc21)N1CCC(N2CCOC2=O)CC1	ZINC000852269881	FE	On-Demand	Anodyne	CALCRL	42	38
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@H](C)C2)C1	ZINC000852269909	BE	On-Demand	Anodyne	EPHX2	18	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[C@@H](C)C2)C1	ZINC000852269912	BE	On-Demand	Anodyne	EPHX2	18	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[C@H](C)C2)C1	ZINC000852269915	BE	On-Demand	Anodyne	EPHX2	18	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C)C2)C1	ZINC000852269917	BE	On-Demand	Anodyne	EPHX2	18	40
O=C(NCc1ncccn1)N[C@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852269918	DF	On-Demand	Anodyne	GRIN2B	40	35
O=C(NCc1ncccn1)N[C@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852269918	DF	On-Demand	Anodyne	EPHX2	17	44
O=C(NCc1ncccn1)N[C@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852269919	DF	On-Demand	Anodyne	GRIN2B	40	35
O=C(NCc1ncccn1)N[C@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852269919	DF	On-Demand	Anodyne	EPHX2	17	44
O=C(NCc1ncccn1)N[C@@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852269921	DF	On-Demand	Anodyne	GRIN2B	40	35
O=C(NCc1ncccn1)N[C@@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852269921	DF	On-Demand	Anodyne	EPHX2	17	44
O=C(NCc1ncccn1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852269922	DF	On-Demand	Anodyne	GRIN2B	40	35
O=C(NCc1ncccn1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852269922	DF	On-Demand	Anodyne	EPHX2	17	44
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852269997	FE	On-Demand	Anodyne	GPR119	27	43
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852269998	FE	On-Demand	Anodyne	GPR119	27	43
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852269999	FE	On-Demand	Anodyne	GPR119	27	43
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852270000	FE	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCc3nccnc3C2)CC1	ZINC000852270001	GE	On-Demand	Anodyne	EPHX2	15	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCc3nccnc3C2)CC1	ZINC000852270001	GE	On-Demand	Anodyne	GPR119	43	47
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCc3nccnc3C2)CC1	ZINC000852270002	GE	On-Demand	Anodyne	EPHX2	15	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCc3nccnc3C2)CC1	ZINC000852270002	GE	On-Demand	Anodyne	GPR119	43	47
O=C(NCCC1SCCS1)N[C@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852270036	FH	On-Demand	Anodyne	CCR3	23	41
O=C(NCCC1SCCS1)N[C@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852270038	FH	On-Demand	Anodyne	CCR3	23	41
O=C(NCCC1SCCS1)N[C@@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852270040	FH	On-Demand	Anodyne	CCR3	23	41
O=C(NCCC1SCCS1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852270042	FH	On-Demand	Anodyne	CCR3	23	41
C[C@@](O)(CCNC(=O)NCc1cccc(OC2CC2)c1F)c1ccccc1	ZINC000852270067	FG	On-Demand	Anodyne	CHRM3	16	41
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCc2nccnc2C1	ZINC000852270150	GE	On-Demand	Anodyne	GPR119	42	46
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCc2nccnc2C1	ZINC000852270152	GE	On-Demand	Anodyne	GPR119	42	46
C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCc2nccnc2C1	ZINC000852270154	GE	On-Demand	Anodyne	GPR119	42	46
Cc1cc(C(F)(F)F)ccc1CNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852270155	EH	On-Demand	Anodyne	CCR2	51	39
C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CCc2nccnc2C1	ZINC000852270156	GE	On-Demand	Anodyne	GPR119	42	46
Cc1cc(C(F)(F)F)ccc1CNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852270157	EH	On-Demand	Anodyne	CCR2	51	39
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCC2SCCS2)CC1	ZINC000852270283	GG	On-Demand	Anodyne	EPHX2	20	47
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCC2SCCS2)CC1	ZINC000852270285	GG	On-Demand	Anodyne	EPHX2	20	47
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852270319	FF	On-Demand	Anodyne	EPHX2	35	46
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852270321	FF	On-Demand	Anodyne	EPHX2	35	46
O=C(NCC1CCN(CC(F)(F)F)CC1)N[C@@H]1C=CCC1	ZINC000852270335	DE	On-Demand	Anodyne	CACNA1I	56	37
O=C(NCC1CCN(CC(F)(F)F)CC1)N[C@H]1C=CCC1	ZINC000852270337	DE	On-Demand	Anodyne	CACNA1I	56	37
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852270446	GD	On-Demand	Reactive	EPHX2	33	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852270446	GD	On-Demand	Reactive	GPR119	47	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852270446	GD	On-Demand	Reactive	SFRP1	53	39
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852270448	GD	On-Demand	Reactive	EPHX2	33	42
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852270448	GD	On-Demand	Reactive	GPR119	47	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)CC1	ZINC000852270448	GD	On-Demand	Reactive	SFRP1	53	39
C[C@@](O)(CCNC(=O)NC1CCC2(CC1)CC2(F)F)c1ccccc1	ZINC000852270449	FH	On-Demand	Anodyne	EPHX2	19	45
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCOc2c(F)cccc21	ZINC000852270460	GG	On-Demand	Clean	LUXR	42	34
O=C(NCC1CCN(CC(F)(F)F)CC1)NNc1ccc(Cl)cn1	ZINC000852270490	FF	On-Demand	Reactive	CACNA1I	77	38
Cc1ccncc1CCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852270501	GG	On-Demand	Anodyne	EPHX2	31	41
Cc1ccncc1CCNC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852270501	GG	On-Demand	Anodyne	GPR119	46	44
Cc1ccncc1CCNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852270502	GG	On-Demand	Anodyne	EPHX2	31	41
Cc1ccncc1CCNC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852270502	GG	On-Demand	Anodyne	GPR119	46	44
O=C(NCc1ncccn1)NCC1CCN(CC(F)(F)F)CC1	ZINC000852270509	ED	On-Demand	Anodyne	CACNA1I	73	39
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2CCN(CC(F)(F)F)CC2)O1	ZINC000852270511	GC	On-Demand	Reactive	CACNA1I	44	37
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2CCN(CC(F)(F)F)CC2)O1	ZINC000852270513	GC	On-Demand	Reactive	CACNA1I	44	37
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852270514	DF	On-Demand	Anodyne	EPHX2	34	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852270514	DF	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852270515	DF	On-Demand	Anodyne	EPHX2	34	43
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852270515	DF	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852270516	DF	On-Demand	Anodyne	EPHX2	34	43
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H]2C=CCC2)CC1	ZINC000852270516	DF	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852270517	DF	On-Demand	Anodyne	EPHX2	34	43
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2C=CCC2)CC1	ZINC000852270517	DF	On-Demand	Anodyne	GPR119	33	42
C[C@@](O)(CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852270518	GI	On-Demand	Anodyne	CHRM2	18	44
C[C@@](O)(CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852270518	GI	On-Demand	Anodyne	KCNH2	42	40
C[C@@](O)(CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852270518	GI	On-Demand	Anodyne	CHRM3	33	44
C[C@@](O)(CCNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852270518	GI	On-Demand	Anodyne	GLRA1	43	33
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852270527	GI	On-Demand	Anodyne	EPHX2	22	41
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852270527	GI	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852270527	GI	On-Demand	Anodyne	SFRP1	44	39
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852270527	GI	On-Demand	Anodyne	WNT3	53	37
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852270532	GI	On-Demand	Anodyne	EPHX2	22	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852270532	GI	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852270532	GI	On-Demand	Anodyne	SFRP1	44	39
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC3CC2(c2ccccc2)C3)CC1	ZINC000852270532	GI	On-Demand	Anodyne	WNT3	53	37
O=C(NCC1SCCS1)N[C@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852270537	EH	On-Demand	Anodyne	EPHX2	15	42
O=C(NCC1SCCS1)N[C@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852270542	EH	On-Demand	Anodyne	EPHX2	15	42
O=C(NCC1SCCS1)N[C@@H]1CC[C@H](Cc2ccccc2)C1	ZINC000852270543	EH	On-Demand	Anodyne	EPHX2	15	42
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	CHRM2	20	40
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	CHRM1	16	50
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	DRD2	16	44
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	DRD4	37	44
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	ACHE	54	54
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	HTR4	52	44
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	CHRM3	29	40
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	GRIN2B	27	42
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	SIGMAR1	40	42
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	SSTR5	52	37
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	CCR3	43	41
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	CACNA1G	31	41
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	CACNA1I	82	44
C[C@@](O)(CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852270544	GF	On-Demand	Anodyne	CYP2J2	44	32
O=C(NCC1SCCS1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	ZINC000852270545	EH	On-Demand	Anodyne	EPHX2	15	42
CO[C@@H](C)[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852270594	FG	On-Demand	Anodyne	FPR1	43	35
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC[C@H](CCF)C2)CC1	ZINC000852270609	FH	On-Demand	Anodyne	GPR119	42	40
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC[C@@H](CCF)C2)CC1	ZINC000852270612	FH	On-Demand	Anodyne	GPR119	42	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC[C@H](CCF)C2)CC1	ZINC000852270613	FH	On-Demand	Anodyne	GPR119	42	40
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC[C@@H](CCF)C2)CC1	ZINC000852270615	FH	On-Demand	Anodyne	GPR119	42	40
COc1cnccc1[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852270628	GF	On-Demand	Clean	NAMPT	42	38
COc1cnccc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852270631	GF	On-Demand	Clean	NAMPT	42	38
C[C@@](O)(CCNC(=O)NCCO[C@H]1CC1(F)F)c1ccccc1	ZINC000852270639	EE	On-Demand	Anodyne	AMY2	55	33
C[C@@](O)(CCNC(=O)NCCO[C@@H]1CC1(F)F)c1ccccc1	ZINC000852270679	EE	On-Demand	Anodyne	AMY2	55	33
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3C[C@H]3C2)CC1	ZINC000852270689	EF	On-Demand	Anodyne	EPHX2	23	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3C[C@H]3C2)CC1	ZINC000852270689	EF	On-Demand	Anodyne	GPR119	35	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000852270690	EF	On-Demand	Anodyne	EPHX2	23	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000852270690	EF	On-Demand	Anodyne	GPR119	35	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3C[C@H]3C2)CC1	ZINC000852270691	EF	On-Demand	Anodyne	EPHX2	23	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3C[C@H]3C2)CC1	ZINC000852270691	EF	On-Demand	Anodyne	GPR119	35	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3C[C@@H]3C2)CC1	ZINC000852270692	EF	On-Demand	Anodyne	EPHX2	23	44
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CC[C@H]3C[C@@H]3C2)CC1	ZINC000852270692	EF	On-Demand	Anodyne	GPR119	35	46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852270695	GF	On-Demand	Anodyne	EPHX2	33	46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852270695	GF	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852270696	GF	On-Demand	Anodyne	EPHX2	33	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852270696	GF	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852270697	GF	On-Demand	Anodyne	EPHX2	33	46
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852270697	GF	On-Demand	Anodyne	GPR119	41	42
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852270698	GF	On-Demand	Anodyne	EPHX2	33	46
CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852270698	GF	On-Demand	Anodyne	GPR119	41	42
CC[C@@H](NC(=O)NCC[C@@](C)(O)c1ccccc1)C1CC1	ZINC000852270716	CF	On-Demand	Anodyne	AMY2	45	32
CC[C@@H](NC(=O)NCC[C@](C)(O)c1ccccc1)C1CC1	ZINC000852270718	CF	On-Demand	Anodyne	AMY2	45	32
CN(Cc1cnc[nH]1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852270733	FE	On-Demand	Anodyne	GPR119	39	40
CN(Cc1cnc[nH]1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852270734	FE	On-Demand	Anodyne	GPR119	39	40
CCSC1(CNC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000852270741	FG	On-Demand	Anodyne	EPHX2	28	45
CCSC1(CNC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000852270742	FG	On-Demand	Anodyne	EPHX2	28	45
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C2)O1	ZINC000852270775	FD	On-Demand	Reactive	DRD4	21	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CC[C@@H](C)C2)O1	ZINC000852270775	FD	On-Demand	Reactive	SIGMAR1	23	41
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CC[C@@H](C)C2)O1	ZINC000852270776	FD	On-Demand	Reactive	DRD4	21	43
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CC[C@@H](C)C2)O1	ZINC000852270776	FD	On-Demand	Reactive	SIGMAR1	23	41
C[C@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852270777	FD	On-Demand	Reactive	DRD4	21	43
C[C@H]1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852270777	FD	On-Demand	Reactive	SIGMAR1	23	41
C[C@H]1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852270778	FD	On-Demand	Reactive	DRD4	21	43
C[C@H]1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852270778	FD	On-Demand	Reactive	SIGMAR1	23	41
C[C@H]1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270791	DF	On-Demand	Anodyne	SCN2A	18	43
C[C@H]1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270791	DF	On-Demand	Anodyne	EPHX2	20	42
C[C@H]1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270791	DF	On-Demand	Anodyne	SCN10A	19	43
C[C@@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270792	DF	On-Demand	Anodyne	SCN2A	18	43
C[C@@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270792	DF	On-Demand	Anodyne	EPHX2	20	42
C[C@@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270792	DF	On-Demand	Anodyne	SCN10A	19	43
C[C@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270795	DF	On-Demand	Anodyne	SCN2A	18	43
C[C@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270795	DF	On-Demand	Anodyne	EPHX2	20	42
C[C@H]1CC[C@H](NC(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852270795	DF	On-Demand	Anodyne	SCN10A	19	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@@H](C)C3)C2)cc1	ZINC000852270869	DF	On-Demand	Clean	EPHX2	21	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@@H](C)C3)C2)cc1	ZINC000852270869	DF	On-Demand	Clean	NPBWR1	46	31
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](C)C3)C2)cc1	ZINC000852270872	DF	On-Demand	Clean	EPHX2	21	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](C)C3)C2)cc1	ZINC000852270872	DF	On-Demand	Clean	NPBWR1	46	31
Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1ncccn1	ZINC000852270873	DF	On-Demand	Anodyne	TRPV1	28	42
Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1ncccn1	ZINC000852270873	DF	On-Demand	Anodyne	P2RX7	32	40
Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1ncccn1	ZINC000852270873	DF	On-Demand	Anodyne	PPARD	34	40
Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1ncccn1	ZINC000852270873	DF	On-Demand	Anodyne	CCR2	41	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@H](C)C3)C2)cc1	ZINC000852270875	DF	On-Demand	Clean	EPHX2	21	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@H](C)C3)C2)cc1	ZINC000852270875	DF	On-Demand	Clean	NPBWR1	46	31
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C)C3)C2)cc1	ZINC000852270878	DF	On-Demand	Clean	EPHX2	21	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C)C3)C2)cc1	ZINC000852270878	DF	On-Demand	Clean	NPBWR1	46	31
Cc1cc(C(F)(F)F)ccc1CNC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852270891	GD	On-Demand	Reactive	CCR2	47	42
Cc1cc(C(F)(F)F)ccc1CNC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852270892	GD	On-Demand	Reactive	CCR2	47	42
Cc1cc(C(F)(F)F)ccc1CNC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852270894	GD	On-Demand	Reactive	CCR2	47	42
Cc1cc(C(F)(F)F)ccc1CNC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852270895	GD	On-Demand	Reactive	CCR2	47	42
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@H]3C[C@@H]3C2)C1	ZINC000852270901	DE	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H]3C[C@H]3C2)C1	ZINC000852270905	DE	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@H]3C[C@H]3C2)C1	ZINC000852270908	DE	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H]3C[C@@H]3C2)C1	ZINC000852270912	DE	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852270987	GD	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852270989	GD	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852270991	GD	On-Demand	Anodyne	GPR119	27	41
COc1cnccc1[C@@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852271009	ED	On-Demand	Anodyne	OXTR	15	40
COc1cnccc1[C@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852271011	ED	On-Demand	Anodyne	OXTR	15	40
O=C1CCC2=C(CCN(C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)C2)N1	ZINC000852271069	FF	On-Demand	Anodyne	GRIN2B	42	35
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)C2)N1	ZINC000852271071	FF	On-Demand	Anodyne	GRIN2B	42	35
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)C2)N1	ZINC000852271073	FF	On-Demand	Anodyne	GRIN2B	42	35
O=C1CCC2=C(CCN(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)C2)N1	ZINC000852271075	FF	On-Demand	Anodyne	GRIN2B	42	35
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@H]1CCOc2c(F)cccc21	ZINC000852271127	GD	On-Demand	Reactive	TRAR	40	31
Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852271131	GG	On-Demand	Anodyne	CCR2	54	41
O=C(NC[C@H]1CCC=CO1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852271169	FF	On-Demand	Anodyne	SSTR3	30	44
CO[C@@H](C)[C@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852271227	DF	On-Demand	Anodyne	SOAT1	27	40
CO[C@@H](C)[C@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852271229	DF	On-Demand	Anodyne	SOAT1	27	40
C[C@H]1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852271262	CG	On-Demand	Anodyne	MTNR1A	26	41
C[C@H]1CC[C@@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852271262	CG	On-Demand	Anodyne	MTNR1B	18	41
C[C@@H]1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852271263	CG	On-Demand	Anodyne	MTNR1A	26	41
C[C@@H]1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852271263	CG	On-Demand	Anodyne	MTNR1B	18	41
C[C@H]1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852271265	CG	On-Demand	Anodyne	MTNR1A	26	41
C[C@H]1CC[C@H](NC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852271265	CG	On-Demand	Anodyne	MTNR1B	18	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOc4ccc(F)cc43)C2)cc1	ZINC000852271279	GG	On-Demand	Clean	CCR3	23	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOc4ccc(F)cc43)C2)cc1	ZINC000852271281	GG	On-Demand	Clean	CCR3	23	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)c(F)c3)C2)cc1	ZINC000852271295	GG	On-Demand	Clean	MTNR1A	32	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)c(F)c3)C2)cc1	ZINC000852271295	GG	On-Demand	Clean	MTNR1B	23	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(F)c(F)c3)C2)cc1	ZINC000852271295	GG	On-Demand	Clean	MCHR1	25	49
CCOC(=O)[C@@](C)(CNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852271372	GD	On-Demand	Anodyne	AMY2	42	29
CCOC(=O)[C@](C)(CNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852271373	GD	On-Demand	Anodyne	AMY2	42	29
CCOC(=O)[C@](C)(CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852271374	GD	On-Demand	Anodyne	AMY2	42	29
CCOC(=O)[C@@](C)(CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852271375	GD	On-Demand	Anodyne	AMY2	42	29
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271428	EF	On-Demand	Anodyne	DRD4	22	40
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271428	EF	On-Demand	Anodyne	ACHE	30	45
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271428	EF	On-Demand	Anodyne	HTR4	44	41
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271428	EF	On-Demand	Anodyne	SIGMAR1	30	46
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271428	EF	On-Demand	Anodyne	SSTR5	51	36
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271428	EF	On-Demand	Anodyne	CCR3	28	41
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271428	EF	On-Demand	Anodyne	MCHR1	30	42
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271428	EF	On-Demand	Anodyne	CACNA1I	67	43
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271429	EF	On-Demand	Anodyne	DRD4	22	40
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271429	EF	On-Demand	Anodyne	ACHE	30	45
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271429	EF	On-Demand	Anodyne	HTR4	44	41
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271429	EF	On-Demand	Anodyne	SIGMAR1	30	46
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271429	EF	On-Demand	Anodyne	SSTR5	51	36
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271429	EF	On-Demand	Anodyne	CCR3	28	41
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271429	EF	On-Demand	Anodyne	MCHR1	30	42
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271429	EF	On-Demand	Anodyne	CACNA1I	67	43
C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271431	EF	On-Demand	Anodyne	DRD4	22	40
C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271431	EF	On-Demand	Anodyne	ACHE	30	45
C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271431	EF	On-Demand	Anodyne	HTR4	44	41
C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271431	EF	On-Demand	Anodyne	SIGMAR1	30	46
C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271431	EF	On-Demand	Anodyne	SSTR5	51	36
C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271431	EF	On-Demand	Anodyne	CCR3	28	41
C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271431	EF	On-Demand	Anodyne	MCHR1	30	42
C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1	ZINC000852271431	EF	On-Demand	Anodyne	CACNA1I	67	43
CCOC(=O)[C@](C)(CNC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852271451	GF	On-Demand	Anodyne	AMY2	60	36
CCOC(=O)[C@@](C)(CNC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852271453	GF	On-Demand	Anodyne	AMY2	60	36
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H]1CC[C@H](C)C1	ZINC000852271511	CG	On-Demand	Anodyne	EPHX2	15	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H]1CC[C@H](C)C1	ZINC000852271512	CG	On-Demand	Anodyne	EPHX2	15	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H]1CC[C@@H](C)C1	ZINC000852271513	CG	On-Demand	Anodyne	EPHX2	15	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H]1CC[C@@H](C)C1	ZINC000852271514	CG	On-Demand	Anodyne	EPHX2	15	40
C[C@H]1CC[C@H](NC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852271571	CF	On-Demand	Anodyne	SMO	29	40
C[C@H]1CC[C@@H](NC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852271573	CF	On-Demand	Anodyne	SMO	29	40
C#C[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1C)C1CCOCC1	ZINC000852271613	FG	On-Demand	Mild	CCR2	47	40
C#C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1C)C1CCOCC1	ZINC000852271614	FG	On-Demand	Mild	CCR2	47	40
CO[C@@H](C)[C@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852271646	GG	On-Demand	Anodyne	GPR119	25	43
CO[C@@H](C)[C@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852271652	GG	On-Demand	Anodyne	GPR119	25	43
COC(=O)N(C)CCNC(=O)NCCc1cn(C)c2cc(C)ccc12	ZINC000852271814	EE	On-Demand	Anodyne	MTNR1A	16	44
C[C@@H](ON=Cc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1	ZINC000852271878	GI	On-Demand	Mild	IMDH_CRYPV	22	43
Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852271940	FF	On-Demand	Anodyne	CCR2	68	42
Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852271941	FF	On-Demand	Anodyne	CCR2	68	42
CCOC(=O)c1csc(CCNC(=O)NNc2ccc(Cl)cn2)n1	ZINC000852271987	FE	On-Demand	Reactive	F10	47	31
C[C@@]1(C#N)CCN(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)C1	ZINC000852272042	GG	On-Demand	Mild	CAPNS1	46	30
C[C@@]1(C#N)CCN(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)C1	ZINC000852272042	GG	On-Demand	Mild	CAPN2	70	34
C[C@@]1(C#N)CCN(C(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)C1	ZINC000852272042	GG	On-Demand	Mild	SLC12A5	68	37
C[C@@]1(C#N)CCN(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)C1	ZINC000852272043	GG	On-Demand	Mild	CAPNS1	46	30
C[C@@]1(C#N)CCN(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)C1	ZINC000852272043	GG	On-Demand	Mild	CAPN2	70	34
C[C@@]1(C#N)CCN(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)C1	ZINC000852272043	GG	On-Demand	Mild	SLC12A5	68	37
CCOC(=O)[C@@](C)(CNC(=O)N[C@H]1COC2(CCC2)C1)c1ccccc1	ZINC000852272051	FF	On-Demand	Anodyne	AMY2	52	31
CCOC(=O)[C@@](C)(CNC(=O)N[C@@H]1COC2(CCC2)C1)c1ccccc1	ZINC000852272052	FF	On-Demand	Anodyne	AMY2	52	31
CCOC(=O)[C@](C)(CNC(=O)N[C@@H]1COC2(CCC2)C1)c1ccccc1	ZINC000852272053	FF	On-Demand	Anodyne	AMY2	52	31
CCOC(=O)[C@](C)(CNC(=O)N[C@H]1COC2(CCC2)C1)c1ccccc1	ZINC000852272054	FF	On-Demand	Anodyne	AMY2	52	31
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	ZINC000852272056	HJ	On-Demand	Anodyne	TACR3	48	35
CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	ZINC000852272057	HJ	On-Demand	Anodyne	TACR3	48	35
O=C(NCc1ncccn1)N[C@H]1CCOc2c(F)cccc21	ZINC000852272149	DD	On-Demand	Anodyne	TRAR	40	31
CO[C@@H](C)[C@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852272216	EF	On-Demand	Anodyne	CTSK	15	40
CCOC(=O)[C@@](C)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852272258	GE	On-Demand	Anodyne	CHRM1	22	42
CCOC(=O)[C@@](C)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852272258	GE	On-Demand	Anodyne	AMY2	55	31
CCOC(=O)[C@@](C)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852272258	GE	On-Demand	Anodyne	CCR8	49	39
CCOC(=O)[C@](C)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852272259	GE	On-Demand	Anodyne	CHRM1	22	42
CCOC(=O)[C@](C)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852272259	GE	On-Demand	Anodyne	AMY2	55	31
CCOC(=O)[C@](C)(CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852272259	GE	On-Demand	Anodyne	CCR8	49	39
C#C[C@H](NC(=O)NC[C@@](C)(C(=O)OC)c1ccccc1)C1CCOCC1	ZINC000852272279	FD	On-Demand	Mild	AMY2	46	31
C#C[C@H](NC(=O)NC[C@](C)(C(=O)OC)c1ccccc1)C1CCOCC1	ZINC000852272280	FD	On-Demand	Mild	AMY2	46	31
C#C[C@@H](NC(=O)NC[C@](C)(C(=O)OC)c1ccccc1)C1CCOCC1	ZINC000852272281	FD	On-Demand	Mild	AMY2	46	31
C#C[C@@H](NC(=O)NC[C@@](C)(C(=O)OC)c1ccccc1)C1CCOCC1	ZINC000852272282	FD	On-Demand	Mild	AMY2	46	31
CCOC(=O)[C@](C)(CNC(=O)NCCC1SCCS1)c1ccccc1	ZINC000852272296	GG	On-Demand	Anodyne	AMY2	53	31
CCOC(=O)[C@@](C)(CNC(=O)NCCC1SCCS1)c1ccccc1	ZINC000852272298	GG	On-Demand	Anodyne	AMY2	53	31
C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852272378	DF	On-Demand	Anodyne	DRD2	18	44
C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852272378	DF	On-Demand	Anodyne	DRD4	20	43
C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852272378	DF	On-Demand	Anodyne	SIGMAR1	33	43
C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)C1	ZINC000852272378	DF	On-Demand	Anodyne	EPHX2	16	41
C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852272380	DF	On-Demand	Anodyne	DRD2	18	44
C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852272380	DF	On-Demand	Anodyne	DRD4	20	43
C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852272380	DF	On-Demand	Anodyne	SIGMAR1	33	43
C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1	ZINC000852272380	DF	On-Demand	Anodyne	EPHX2	16	41
O=C(NCc1ncccn1)NCC1(c2ccc(C(F)(F)F)cc2)CC1	ZINC000852272419	FG	On-Demand	Anodyne	NMBR	40	40
O=C(NCc1ncccn1)NCC1(c2ccc(C(F)(F)F)cc2)CC1	ZINC000852272419	FG	On-Demand	Anodyne	GRPR	19	40
CCOC(=O)[C@](C)(CNC(=O)N[C@@H]1C=CCC1)c1ccccc1	ZINC000852272446	DF	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)[C@](C)(CNC(=O)N[C@H]1C=CCC1)c1ccccc1	ZINC000852272447	DF	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)[C@@](C)(CNC(=O)N[C@@H]1C=CCC1)c1ccccc1	ZINC000852272448	DF	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)[C@@](C)(CNC(=O)N[C@H]1C=CCC1)c1ccccc1	ZINC000852272449	DF	On-Demand	Anodyne	AMY2	56	33
CCOC(=O)[C@@](C)(CNC(=O)NCC1SCCS1)c1ccccc1	ZINC000852272470	FF	On-Demand	Anodyne	AMY2	56	34
CCOC(=O)[C@](C)(CNC(=O)NCC1SCCS1)c1ccccc1	ZINC000852272471	FF	On-Demand	Anodyne	AMY2	56	34
C#C[C@H](NC(=O)NC[C@@](C)(C(=O)OCC)c1ccccc1)C1CCOCC1	ZINC000852272505	FE	On-Demand	Mild	AMY2	54	32
C#C[C@@H](NC(=O)NC[C@](C)(C(=O)OCC)c1ccccc1)C1CCOCC1	ZINC000852272506	FE	On-Demand	Mild	AMY2	54	32
C#C[C@H](NC(=O)NC[C@](C)(C(=O)OCC)c1ccccc1)C1CCOCC1	ZINC000852272507	FE	On-Demand	Mild	AMY2	54	32
C#C[C@@H](NC(=O)NC[C@@](C)(C(=O)OCC)c1ccccc1)C1CCOCC1	ZINC000852272508	FE	On-Demand	Mild	AMY2	54	32
C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852272540	DG	On-Demand	Anodyne	NPY1R	26	43
C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)C1	ZINC000852272541	DG	On-Demand	Anodyne	NPY1R	26	43
COCCN(CCF)C(=O)NC[C@](C)(C(=O)OC)c1ccccc1	ZINC000852272714	ED	On-Demand	Anodyne	AMY2	60	38
COCCN(CCF)C(=O)NC[C@@](C)(C(=O)OC)c1ccccc1	ZINC000852272715	ED	On-Demand	Anodyne	AMY2	60	38
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272716	GF	On-Demand	Anodyne	KLK3	44	35
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272716	GF	On-Demand	Anodyne	CAPNS1	46	31
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272716	GF	On-Demand	Anodyne	CAPN1	48	37
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272716	GF	On-Demand	Anodyne	CAPN2	79	35
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272716	GF	On-Demand	Anodyne	NPR	44	32
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272717	GF	On-Demand	Anodyne	KLK3	44	35
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272717	GF	On-Demand	Anodyne	CAPNS1	46	31
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272717	GF	On-Demand	Anodyne	CAPN1	48	37
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272717	GF	On-Demand	Anodyne	CAPN2	79	35
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@H](CO)C1CCC1	ZINC000852272717	GF	On-Demand	Anodyne	NPR	44	32
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272718	GF	On-Demand	Anodyne	KLK3	44	35
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272718	GF	On-Demand	Anodyne	CAPNS1	46	31
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272718	GF	On-Demand	Anodyne	CAPN1	48	37
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272718	GF	On-Demand	Anodyne	CAPN2	79	35
O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272718	GF	On-Demand	Anodyne	NPR	44	32
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272719	GF	On-Demand	Anodyne	KLK3	44	35
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272719	GF	On-Demand	Anodyne	CAPNS1	46	31
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272719	GF	On-Demand	Anodyne	CAPN1	48	37
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272719	GF	On-Demand	Anodyne	CAPN2	79	35
O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)N[C@@H](CO)C1CCC1	ZINC000852272719	GF	On-Demand	Anodyne	NPR	44	32
COCCN(CCF)C(=O)NC[C@H](Cc1ccccc1)C(C)C	ZINC000852272725	DG	On-Demand	Anodyne	MME	43	37
COCCN(CCF)C(=O)NC[C@@H](Cc1ccccc1)C(C)C	ZINC000852272726	DG	On-Demand	Anodyne	MME	43	37
CCOC(=O)[C@](C)(CNC(=O)NCCN(C)C(=O)OC)c1ccccc1	ZINC000852272867	FD	On-Demand	Anodyne	AMY2	57	36
CCOC(=O)[C@@](C)(CNC(=O)NCCN(C)C(=O)OC)c1ccccc1	ZINC000852272868	FD	On-Demand	Anodyne	AMY2	57	36
CCOC(=O)[C@@](C)(CNC(=O)N(C)CCN(C)C(=O)OC)c1ccccc1	ZINC000852272883	GD	On-Demand	Anodyne	AMY2	61	40
CCOC(=O)[C@](C)(CNC(=O)N(C)CCN(C)C(=O)OC)c1ccccc1	ZINC000852272884	GD	On-Demand	Anodyne	AMY2	61	40
COC(=O)N(C)CCNC(=O)NC[C@](C)(C(=O)OC)c1ccccc1	ZINC000852272887	FD	On-Demand	Anodyne	AMY2	57	34
COC(=O)N(C)CCNC(=O)NC[C@@](C)(C(=O)OC)c1ccccc1	ZINC000852272888	FD	On-Demand	Anodyne	AMY2	57	34
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CSC)c3)C2)cc1	ZINC000852273157	GH	On-Demand	Clean	MMP13	24	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CSC)c3)C2)cc1	ZINC000852273157	GH	On-Demand	Clean	MTNR1A	31	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CSC)c3)C2)cc1	ZINC000852273157	GH	On-Demand	Clean	MTNR1B	27	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(CSC)c3)C2)cc1	ZINC000852273157	GH	On-Demand	Clean	MCHR1	18	49
C[C@H]1CC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852273202	CF	On-Demand	Anodyne	CACNA1I	50	34
C[C@@H]1CC[C@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852273203	CF	On-Demand	Anodyne	CACNA1I	50	34
C[C@H]1CC[C@@H](NC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852273205	CF	On-Demand	Anodyne	CACNA1I	50	34
C[C@H]1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273236	EH	On-Demand	Anodyne	KCNH2	42	40
C[C@H]1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273236	EH	On-Demand	Anodyne	EPHX2	25	41
C[C@H]1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273236	EH	On-Demand	Anodyne	GLRA1	43	33
C[C@@H]1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273237	EH	On-Demand	Anodyne	KCNH2	42	40
C[C@@H]1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273237	EH	On-Demand	Anodyne	EPHX2	25	41
C[C@@H]1CC[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273237	EH	On-Demand	Anodyne	GLRA1	43	33
C[C@H]1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273238	EH	On-Demand	Anodyne	KCNH2	42	40
C[C@H]1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273238	EH	On-Demand	Anodyne	EPHX2	25	41
C[C@H]1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852273238	EH	On-Demand	Anodyne	GLRA1	43	33
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCC2CC(C)(C)C2)O1	ZINC000852273346	GE	On-Demand	Reactive	DRD4	17	40
Cn1ncc(C2CC2)c1CNC(=O)NOCc1ccc(F)cc1Br	ZINC000852273433	GG	On-Demand	Anodyne	P2RX7	26	43
O=C(NCc1ccc(Cl)c(Cl)c1)NOC[C@H]1CCOC1	ZINC000852273503	DF	On-Demand	Anodyne	RPA1	47	31
O=C(NCc1ccc(Cl)c(Cl)c1)NOC[C@@H]1CCOC1	ZINC000852273504	DF	On-Demand	Anodyne	RPA1	47	31
O=C(NOC[C@H]1CCOC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852273684	EF	On-Demand	Anodyne	KCNH2	42	40
O=C(NOC[C@@H]1CCOC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852273685	EF	On-Demand	Anodyne	KCNH2	42	40
CCC(CC)(CNC(=O)NOC[C@H]1CCOC1)c1ccc(F)cc1	ZINC000852273701	EG	On-Demand	Anodyne	CACNA1G	39	45
CCC(CC)(CNC(=O)NOC[C@@H]1CCOC1)c1ccc(F)cc1	ZINC000852273702	EG	On-Demand	Anodyne	CACNA1G	39	45
O=C(NCc1cccnc1N1CCCC1)NOC[C@@H]1CCOC1	ZINC000852273866	DD	On-Demand	Anodyne	SCN10A	17	42
O=C(NCc1cccnc1N1CCCC1)NOC[C@H]1CCOC1	ZINC000852273867	DD	On-Demand	Anodyne	SCN10A	17	42
COc1ccc(N2CC[C@H](NC(=O)NCC=C(C)C)C2)cc1	ZINC000852273956	DF	On-Demand	Clean	MTNR1A	24	48
COc1ccc(N2CC[C@H](NC(=O)NCC=C(C)C)C2)cc1	ZINC000852273956	DF	On-Demand	Clean	MTNR1B	24	48
COc1ccc(N2CC[C@H](NC(=O)NCc3oc4ccccc4c3OC)C2)cc1	ZINC000852274003	GH	On-Demand	Clean	MTNR1A	27	46
COc1ccc(N2CC[C@H](NC(=O)NCc3oc4ccccc4c3OC)C2)cc1	ZINC000852274003	GH	On-Demand	Clean	MTNR1B	25	46
O=C(NOC[C@H]1CCOC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852274060	EF	On-Demand	Anodyne	TRPM8	22	48
O=C(NOC[C@@H]1CCOC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852274061	EF	On-Demand	Anodyne	TRPM8	22	48
COc1ccc(N2CC[C@H](NC(=O)NCc3c(Cl)cccc3OC)C2)cc1	ZINC000852274203	GG	On-Demand	Clean	DRD4	44	35
COc1ccc(N2CC[C@H](NC(=O)NCc3c(Cl)cccc3OC)C2)cc1	ZINC000852274203	GG	On-Demand	Clean	HTR4	41	36
COc1ccc(N2CC[C@H](NC(=O)NCc3c(Cl)cccc3OC)C2)cc1	ZINC000852274203	GG	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NCc3c(Cl)cccc3OC)C2)cc1	ZINC000852274203	GG	On-Demand	Clean	MTNR1B	21	47
COc1ccc(N2CC[C@H](NC(=O)NCc3c(Cl)cccc3OC)C2)cc1	ZINC000852274203	GG	On-Demand	Clean	MCHR1	15	42
CCOC[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(C)C	ZINC000852274209	GH	On-Demand	Anodyne	PDS	50	32
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000852274219	FF	On-Demand	Anodyne	CNR1	42	39
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000852274219	FF	On-Demand	Anodyne	P2RX7	34	43
O=C(NCc1ncccn1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000852274219	FF	On-Demand	Anodyne	EPHX2	22	48
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000852274220	FF	On-Demand	Anodyne	CNR1	42	39
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000852274220	FF	On-Demand	Anodyne	P2RX7	34	43
O=C(NCc1ncccn1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1	ZINC000852274220	FF	On-Demand	Anodyne	EPHX2	22	48
C[C@@H](ONC(=N)c1ccsc1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852274225	FH	On-Demand	Anodyne	IMDH_CRYPV	48	37
CCN(C)C(=O)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852274260	GF	On-Demand	Anodyne	FPR1	47	35
CCN(C)C(=O)[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852274262	GF	On-Demand	Anodyne	FPR1	47	35
CCN(C)C(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)cn1	ZINC000852274284	CD	On-Demand	Reactive	F10	29	44
CCN(C)C(=O)[C@H](C)NC(=O)NNc1ccc(Cl)cn1	ZINC000852274288	CD	On-Demand	Reactive	F10	29	44
O=C(NOC[C@@H]1CCOC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852274327	FF	On-Demand	Anodyne	MC4R	50	46
O=C(NOC[C@H]1CCOC1)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852274329	FF	On-Demand	Anodyne	MC4R	50	46
O=C(NCc1ccc(C2CC2)cc1)NNc1ccc(Cl)cn1	ZINC000852274332	DG	On-Demand	Reactive	F10	25	43
O=C(NCc1ccc(C2CC2)cc1)NNc1ccc(Cl)cn1	ZINC000852274332	DG	On-Demand	Reactive	CCR1	22	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC[C@H]1CCOC1	ZINC000852274359	ED	On-Demand	Anodyne	ACHE	22	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC[C@H]1CCOC1	ZINC000852274359	ED	On-Demand	Anodyne	SIGMAR1	19	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC[C@H]1CCOC1	ZINC000852274359	ED	On-Demand	Anodyne	CACNA1I	59	39
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC[C@@H]1CCOC1	ZINC000852274360	ED	On-Demand	Anodyne	ACHE	22	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC[C@@H]1CCOC1	ZINC000852274360	ED	On-Demand	Anodyne	SIGMAR1	19	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC[C@@H]1CCOC1	ZINC000852274360	ED	On-Demand	Anodyne	CACNA1I	59	39
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ONC(=N)COc2ccccc2)c1	ZINC000852274455	FF	On-Demand	Anodyne	LTA4H	16	41
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ONC(=N)COc2ccccc2)c1	ZINC000852274455	FF	On-Demand	Anodyne	KCNK3	73	38
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ONC(=N)COc2ccccc2)c1	ZINC000852274455	FF	On-Demand	Anodyne	KCNK9	54	34
CC(=O)Nc1cccc(NC(=O)[C@H](C)ONC(=N)COc2ccccc2)c1	ZINC000852274456	FF	On-Demand	Anodyne	LTA4H	16	41
CC(=O)Nc1cccc(NC(=O)[C@H](C)ONC(=N)COc2ccccc2)c1	ZINC000852274456	FF	On-Demand	Anodyne	KCNK3	73	38
CC(=O)Nc1cccc(NC(=O)[C@H](C)ONC(=N)COc2ccccc2)c1	ZINC000852274456	FF	On-Demand	Anodyne	KCNK9	54	34
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852274560	ED	On-Demand	Reactive	EPHX2	16	40
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852274560	ED	On-Demand	Reactive	RBP4	58	33
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852274561	ED	On-Demand	Reactive	EPHX2	16	40
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852274561	ED	On-Demand	Reactive	RBP4	58	33
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852274562	ED	On-Demand	Reactive	EPHX2	16	40
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852274562	ED	On-Demand	Reactive	RBP4	58	33
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852274563	ED	On-Demand	Reactive	EPHX2	16	40
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852274563	ED	On-Demand	Reactive	RBP4	58	33
C[C@@H](ONC(=N)COc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852274617	GH	On-Demand	Anodyne	LTA4H	15	41
C[C@@H](ONC(=N)COc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852274617	GH	On-Demand	Anodyne	NPY2R	45	36
C[C@@H](ONC(=N)COc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852274617	GH	On-Demand	Anodyne	IMDH_CRYPV	57	39
COC(=O)N(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C	ZINC000852274651	DD	On-Demand	Bother	COLA	93	33
COc1ccc(N2CC[C@H](NC(=O)NCCOC(F)(F)F)C2)cc1	ZINC000852274652	EE	On-Demand	Clean	MCHR1	19	46
C#C[C@@H](CCC)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852274751	CE	On-Demand	Mild	CTRB_BOVIN	51	38
COCCN(CCF)C(=O)NCc1cccc([N+](=O)[O-])c1C	ZINC000852274816	DE	On-Demand	Bother	COLA	80	33
O=C(NCCOC(F)(F)F)NC[C@H](O)c1cccc2ccccc12	ZINC000852274987	EF	On-Demand	Anodyne	KCNJ11	67	31
O=C(NCCOC(F)(F)F)NC[C@@H](O)c1cccc2ccccc12	ZINC000852274988	EF	On-Demand	Anodyne	KCNJ11	67	31
C#C[C@@H](CCC)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852275074	EH	On-Demand	Mild	KCNH2	43	41
C#C[C@@H](CCC)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852275074	EH	On-Demand	Mild	GLRA1	45	34
COc1cccc(OC)c1CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852275132	GE	On-Demand	Reactive	KCNA3	41	33
O=C1CCC2=C(CCN(C(=O)NCc3ccc(C4CC4)cc3)C2)N1	ZINC000852275214	EF	On-Demand	Anodyne	NPSR1	26	40
Cn1cc(CCNC(=O)NOC[C@@H]2CCOC2)c2ccccc21	ZINC000852275273	DD	On-Demand	Anodyne	HTR4	27	42
Cn1cc(CCNC(=O)NOC[C@H]2CCOC2)c2ccccc21	ZINC000852275275	DD	On-Demand	Anodyne	HTR4	27	42
CC[C@H](NC(=O)CONC(=N)COc1ccccc1)c1ccc(Cl)cc1	ZINC000852275394	GG	On-Demand	Anodyne	UTS2	47	37
CC[C@H](NC(=O)CONC(=N)COc1ccccc1)c1ccc(Cl)cc1	ZINC000852275394	GG	On-Demand	Anodyne	PDS	68	38
CC[C@@H](NC(=O)CONC(=N)COc1ccccc1)c1ccc(Cl)cc1	ZINC000852275395	GG	On-Demand	Anodyne	UTS2	47	37
CC[C@@H](NC(=O)CONC(=N)COc1ccccc1)c1ccc(Cl)cc1	ZINC000852275395	GG	On-Demand	Anodyne	PDS	68	38
C#C[C@@H](CCC)NC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852275514	EH	On-Demand	Mild	P2RY12	43	33
C#C[C@@H](CCC)NC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852275514	EH	On-Demand	Mild	P2RY14	46	37
C#C[C@@H](CCC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852275536	DE	On-Demand	Mild	TRPV1	16	40
C#C[C@@H](CCC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852275536	DE	On-Demand	Mild	SCN2A	17	43
C#C[C@@H](CCC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852275536	DE	On-Demand	Mild	SCN10A	19	43
O=C(NCc1ccc(C2CC2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852275598	EE	On-Demand	Anodyne	NPSR1	27	41
O=C(NCc1ccc(C2CC2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852275598	EE	On-Demand	Anodyne	DGAT1	19	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC(F)(F)c1ccccc1	ZINC000852275600	GG	On-Demand	Clean	STAT6	17	41
O=C(NCc1ccc(C2CC2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852275601	EE	On-Demand	Anodyne	NPSR1	27	41
O=C(NCc1ccc(C2CC2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852275601	EE	On-Demand	Anodyne	DGAT1	19	40
CCN(C)C(=O)[C@H](C)NC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852275620	EE	On-Demand	Anodyne	Q6PRC7_IXORI	46	32
CCN(C)C(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852275622	EE	On-Demand	Anodyne	Q6PRC7_IXORI	46	32
O=C(NOC[C@@H]1CCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852275653	FD	On-Demand	Anodyne	SSTR3	31	45
O=C(NOC[C@H]1CCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852275655	FD	On-Demand	Anodyne	SSTR3	31	45
C#C[C@@H](CCC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852275764	CD	On-Demand	Mild	PYGL	34	46
C#C[C@@H](CCC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852275764	CD	On-Demand	Mild	PYGM	30	46
C#C[C@@H](CCC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852275764	CD	On-Demand	Mild	TPP2	58	36
C#C[C@@H](CCC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852275766	CD	On-Demand	Mild	PYGL	34	46
C#C[C@@H](CCC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852275766	CD	On-Demand	Mild	PYGM	30	46
C#C[C@@H](CCC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852275766	CD	On-Demand	Mild	TPP2	58	36
CSc1ccc(NC(=O)[C@@H](C)ONC(=N)COc2ccccc2)cc1	ZINC000852275773	FG	On-Demand	Anodyne	LTA4H	21	45
CSc1ccc(NC(=O)[C@@H](C)ONC(=N)COc2ccccc2)cc1	ZINC000852275773	FG	On-Demand	Anodyne	PLAU	44	36
CSc1ccc(NC(=O)[C@H](C)ONC(=N)COc2ccccc2)cc1	ZINC000852275774	FG	On-Demand	Anodyne	LTA4H	21	45
CSc1ccc(NC(=O)[C@H](C)ONC(=N)COc2ccccc2)cc1	ZINC000852275774	FG	On-Demand	Anodyne	PLAU	44	36
Cc1c(NC(=O)[C@@H](C)ONC(=N)COc2ccccc2)cccc1[N+](=O)[O-]	ZINC000852275779	FF	On-Demand	Bother	COLA	103	41
Cc1c(NC(=O)[C@H](C)ONC(=N)COc2ccccc2)cccc1[N+](=O)[O-]	ZINC000852275780	FF	On-Demand	Bother	COLA	103	41
C#C[C@@H](CCC)NC(=O)NC[C@@](C)(COCc1ccccc1)OC	ZINC000852275793	EF	On-Demand	Mild	CTRB_BOVIN	55	33
C#C[C@@H](CCC)NC(=O)NC[C@](C)(COCc1ccccc1)OC	ZINC000852275796	EF	On-Demand	Mild	CTRB_BOVIN	55	33
COc1ccc(N2CC[C@H](NC(=O)NCCC=C(C)C)C2)cc1	ZINC000852275846	DF	On-Demand	Clean	MTNR1A	24	47
COc1ccc(N2CC[C@H](NC(=O)NCCC=C(C)C)C2)cc1	ZINC000852275846	DF	On-Demand	Clean	MTNR1B	20	47
C#C[C@@H](CCC)NC(=O)NCCc1ccnc2ccccc12	ZINC000852275942	CF	On-Demand	Mild	MTNR1A	27	44
C#C[C@@H](CCC)NC(=O)NCCc1ccnc2ccccc12	ZINC000852275942	CF	On-Demand	Mild	MTNR1B	17	44
O=C(NCc1ccc(C2CC2)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852275960	EF	On-Demand	Anodyne	DGAT1	23	41
C#C[C@@H](CCC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852275998	EE	On-Demand	Mild	ACHE	26	43
C#C[C@@H](CCC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852275998	EE	On-Demand	Mild	HTR4	43	41
C#C[C@@H](CCC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852275998	EE	On-Demand	Mild	SIGMAR1	21	41
C#C[C@@H](CCC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852275998	EE	On-Demand	Mild	CACNA1I	66	41
O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852276003	GH	On-Demand	Anodyne	CNR1	50	31
O=C(NNC(=O)N1CCC(C2CCC2)CC1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852276051	FG	On-Demand	Reactive	EPHX2	21	40
O=C(NNC(=O)N1CCC(C2CCC2)CC1)[C@H]1CCO[C@@H]1c1ccccc1	ZINC000852276051	FG	On-Demand	Reactive	ADAM10	31	40
Cc1cc(NC(=O)[C@@H](C)ONC(=N)COc2ccccc2)ccc1Br	ZINC000852276052	HH	On-Demand	Anodyne	LTA4H	15	40
C#C[C@@H](CCC)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852276074	CF	On-Demand	Mild	DRD5	15	41
O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N[C@H]1COC2(CCC2)C1	ZINC000852276081	GH	On-Demand	Anodyne	CNR1	50	31
O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N[C@H]1COC2(CCC2)C1	ZINC000852276083	GH	On-Demand	Anodyne	CNR1	50	31
CCOC[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(C)C	ZINC000852276142	EG	On-Demand	Anodyne	SOAT1	22	40
CCOC[C@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(C)C	ZINC000852276143	EG	On-Demand	Anodyne	SOAT1	22	40
C#C[C@@H](CCC)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852276188	CE	On-Demand	Mild	SIGMAR1	21	42
C#C[C@@H](CCC)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852276190	CE	On-Demand	Mild	SIGMAR1	21	42
CCC(CC)(CNC(=O)N[C@H](C)c1nnnn1C1CC1)c1ccc(F)cc1	ZINC000852276202	FG	On-Demand	Anodyne	CACNA1G	38	44
CCC(CC)(CNC(=O)N[C@@H](C)c1nnnn1C1CC1)c1ccc(F)cc1	ZINC000852276203	FG	On-Demand	Anodyne	CACNA1G	38	44
C[C@@H](NC(=O)N1CCc2ccc(Cl)c(Cl)c2C1)c1nnnn1C1CC1	ZINC000852276220	GG	On-Demand	Anodyne	MAPK1	46	38
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1nnnn1C1CC1	ZINC000852276358	GD	On-Demand	Anodyne	ACHE	15	40
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1nnnn1C1CC1	ZINC000852276358	GD	On-Demand	Anodyne	HTR4	35	40
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1nnnn1C1CC1	ZINC000852276358	GD	On-Demand	Anodyne	CACNA1I	62	38
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1nnnn1C1CC1	ZINC000852276359	GD	On-Demand	Anodyne	ACHE	15	40
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1nnnn1C1CC1	ZINC000852276359	GD	On-Demand	Anodyne	HTR4	35	40
C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1nnnn1C1CC1	ZINC000852276359	GD	On-Demand	Anodyne	CACNA1I	62	38
C[C@@H](NC(=O)NCc1ccc(-c2cccs2)cc1)c1nnnn1C1CC1	ZINC000852276494	FG	On-Demand	Anodyne	VHL	47	30
C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C)c1nnnn1C1CC1	ZINC000852276538	GF	On-Demand	Anodyne	MDM2	44	32
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1CCOC1	ZINC000852276542	FC	On-Demand	Reactive	ACHE	23	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1CCOC1	ZINC000852276542	FC	On-Demand	Reactive	HTR4	46	39
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1CCOC1	ZINC000852276542	FC	On-Demand	Reactive	SIGMAR1	21	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1CCOC1	ZINC000852276542	FC	On-Demand	Reactive	CACNA1I	59	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1CCOC1	ZINC000852276543	FC	On-Demand	Reactive	ACHE	23	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1CCOC1	ZINC000852276543	FC	On-Demand	Reactive	HTR4	46	39
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1CCOC1	ZINC000852276543	FC	On-Demand	Reactive	SIGMAR1	21	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1CCOC1	ZINC000852276543	FC	On-Demand	Reactive	CACNA1I	59	40
C#C[C@H](CC)NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852276578	EE	On-Demand	Mild	AMY2	44	31
C#C[C@H](CC)NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852276578	EE	On-Demand	Mild	SSTR3	31	45
C#C[C@@H](CC)NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852276579	EE	On-Demand	Mild	AMY2	44	31
C#C[C@@H](CC)NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852276579	EE	On-Demand	Mild	SSTR3	31	45
C#C[C@@H](CC)NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852276622	DG	On-Demand	Mild	MDM2	63	35
C#C[C@H](CC)NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852276623	DG	On-Demand	Mild	MDM2	63	35
C#C[C@@H](CC)NC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852276660	EG	On-Demand	Mild	P2RY14	49	38
C#C[C@H](CC)NC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852276661	EG	On-Demand	Mild	P2RY14	49	38
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@@H](C)c1nnnn1C1CC1	ZINC000852276673	EE	On-Demand	Anodyne	CCR3	57	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@H](C)c1nnnn1C1CC1	ZINC000852276674	EE	On-Demand	Anodyne	CCR3	57	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@@H](C)c1nnnn1C1CC1	ZINC000852276675	EE	On-Demand	Anodyne	CCR3	57	35
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@H](C)c1nnnn1C1CC1	ZINC000852276676	EE	On-Demand	Anodyne	CCR3	57	35
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nnnn1C1CC1	ZINC000852276696	ED	On-Demand	Anodyne	CACNA1I	45	33
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1nnnn1C1CC1	ZINC000852276698	ED	On-Demand	Anodyne	CACNA1I	45	33
O=C(NNC(=O)[C@H]1CCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852276708	FD	On-Demand	Reactive	SSTR3	29	45
O=C(NNC(=O)[C@@H]1CCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852276714	FD	On-Demand	Reactive	SSTR3	29	45
N#Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCOC2)cc1	ZINC000852276722	DC	On-Demand	Reactive	GPBAR1	34	42
N#Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCOC2)cc1	ZINC000852276725	DC	On-Demand	Reactive	GPBAR1	34	42
O=C(NNC(=O)[C@@H]1CCOC1)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852276790	GF	On-Demand	Reactive	BDKRB1	45	35
O=C(NNC(=O)[C@@H]1CCOC1)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852276792	GF	On-Demand	Reactive	BDKRB1	45	35
O=C(NNC(=O)[C@H]1CCOC1)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852276794	GF	On-Demand	Reactive	BDKRB1	45	35
O=C(NNC(=O)[C@H]1CCOC1)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852276796	GF	On-Demand	Reactive	BDKRB1	45	35
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)[C@@H]1CCOC1	ZINC000852276804	EC	On-Demand	Reactive	SIGMAR1	19	41
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)[C@H]1CCOC1	ZINC000852276807	EC	On-Demand	Reactive	SIGMAR1	19	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)[C@@H]1CCOC1	ZINC000852276809	EC	On-Demand	Reactive	SIGMAR1	19	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)[C@H]1CCOC1	ZINC000852276811	EC	On-Demand	Reactive	SIGMAR1	19	41
O=C(NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)[C@@H]1CCOC1	ZINC000852276865	FD	On-Demand	Reactive	KCNH2	42	40
O=C(NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)[C@H]1CCOC1	ZINC000852276866	FD	On-Demand	Reactive	KCNH2	42	40
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)[C@@H]1CCOC1	ZINC000852276869	ED	On-Demand	Reactive	P2RX7	16	44
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)[C@@H]1CCOC1	ZINC000852276869	ED	On-Demand	Reactive	RPA1	67	36
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)[C@H]1CCOC1	ZINC000852276870	ED	On-Demand	Reactive	P2RX7	16	44
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)[C@H]1CCOC1	ZINC000852276870	ED	On-Demand	Reactive	RPA1	67	36
C#C[C@@H](CC)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852276911	CE	On-Demand	Mild	DRD5	15	42
C#C[C@H](CC)NC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852276912	CE	On-Demand	Mild	DRD5	15	42
C#C[C@@H](CC)NC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852276919	ED	On-Demand	Mild	HCN1	58	37
C#C[C@H](CC)NC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852276920	ED	On-Demand	Mild	HCN1	58	37
C#C[C@H](CC)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852276933	CD	On-Demand	Mild	SIGMAR1	21	41
C#C[C@@H](CC)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852276934	CD	On-Demand	Mild	SIGMAR1	21	41
C#C[C@H](CC)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852276935	CD	On-Demand	Mild	SIGMAR1	21	41
C#C[C@@H](CC)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852276936	CD	On-Demand	Mild	SIGMAR1	21	41
C#C[C@H](CC)NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852277029	DF	On-Demand	Mild	NPY1R	28	40
C#C[C@@H](CC)NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852277034	DF	On-Demand	Mild	NPY1R	28	40
C#C[C@H](CC)NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852277036	DF	On-Demand	Mild	NPY1R	28	40
C#C[C@@H](CC)NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852277038	DF	On-Demand	Mild	NPY1R	28	40
C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1nnnn1C1CC1	ZINC000852277072	GF	On-Demand	Anodyne	SCD1	18	40
C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1nnnn1C1CC1	ZINC000852277072	GF	On-Demand	Anodyne	SCD	30	40
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1nnnn1C1CC1	ZINC000852277126	ED	On-Demand	Anodyne	CCR3	44	32
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1nnnn1C1CC1	ZINC000852277128	ED	On-Demand	Anodyne	CCR3	44	32
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1nnnn1C1CC1	ZINC000852277129	ED	On-Demand	Anodyne	CCR3	44	32
C#C[C@@H](CC)NC(=O)NCCc1ccnc2ccccc12	ZINC000852277283	CE	On-Demand	Mild	MTNR1A	32	45
C#C[C@@H](CC)NC(=O)NCCc1ccnc2ccccc12	ZINC000852277283	CE	On-Demand	Mild	MTNR1B	21	45
C#C[C@H](CC)NC(=O)NCCc1ccnc2ccccc12	ZINC000852277284	CE	On-Demand	Mild	MTNR1A	32	45
C#C[C@H](CC)NC(=O)NCCc1ccnc2ccccc12	ZINC000852277284	CE	On-Demand	Mild	MTNR1B	21	45
C#C[C@@H](CC)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852277292	EG	On-Demand	Mild	PDS	69	36
C#C[C@H](CC)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852277294	EG	On-Demand	Mild	PDS	69	36
C#C[C@@H](CC)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852277331	DG	On-Demand	Mild	KCNH2	44	42
C#C[C@@H](CC)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852277331	DG	On-Demand	Mild	GLRA1	47	35
C#C[C@H](CC)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852277332	DG	On-Demand	Mild	KCNH2	44	42
C#C[C@H](CC)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852277332	DG	On-Demand	Mild	GLRA1	47	35
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[C@@H]1CCOC1	ZINC000852277447	GD	On-Demand	Reactive	CNR1	51	31
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[C@@H]1CCOC1	ZINC000852277447	GD	On-Demand	Reactive	CNR2	15	40
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[C@@H]1CCOC1	ZINC000852277447	GD	On-Demand	Reactive	MC4R	41	40
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[C@@H]1CCOC1	ZINC000852277447	GD	On-Demand	Reactive	NPY2R	38	40
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[C@H]1CCOC1	ZINC000852277448	GD	On-Demand	Reactive	CNR1	51	31
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[C@H]1CCOC1	ZINC000852277448	GD	On-Demand	Reactive	CNR2	15	40
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[C@H]1CCOC1	ZINC000852277448	GD	On-Demand	Reactive	MC4R	41	40
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)[C@H]1CCOC1	ZINC000852277448	GD	On-Demand	Reactive	NPY2R	38	40
C#C[C@@H](CC)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852277478	EF	On-Demand	Mild	ECE1	26	40
C#C[C@H](CC)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852277479	EF	On-Demand	Mild	ECE1	26	40
C#C[C@@H](CC)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852277486	GG	On-Demand	Mild	GPR119	27	41
C#C[C@H](CC)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852277487	GG	On-Demand	Mild	GPR119	27	41
C#C[C@@H](CC)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852277489	GG	On-Demand	Mild	GPR119	27	41
C#C[C@H](CC)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852277491	GG	On-Demand	Mild	GPR119	27	41
C#C[C@H](CC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852277495	CD	On-Demand	Mild	PYGL	35	48
C#C[C@H](CC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852277495	CD	On-Demand	Mild	PYGM	31	48
C#C[C@H](CC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852277495	CD	On-Demand	Mild	TPP2	54	34
C#C[C@H](CC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852277497	CD	On-Demand	Mild	PYGL	35	48
C#C[C@H](CC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852277497	CD	On-Demand	Mild	PYGM	31	48
C#C[C@H](CC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852277497	CD	On-Demand	Mild	TPP2	54	34
C#C[C@@H](CC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852277498	CD	On-Demand	Mild	PYGL	35	48
C#C[C@@H](CC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852277498	CD	On-Demand	Mild	PYGM	31	48
C#C[C@@H](CC)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852277498	CD	On-Demand	Mild	TPP2	54	34
C#C[C@@H](CC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852277499	CD	On-Demand	Mild	PYGL	35	48
C#C[C@@H](CC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852277499	CD	On-Demand	Mild	PYGM	31	48
C#C[C@@H](CC)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852277499	CD	On-Demand	Mild	TPP2	54	34
C#C[C@H](CC)NC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852277532	CF	On-Demand	Mild	PDS	46	34
C#C[C@@H](CC)NC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852277533	CF	On-Demand	Mild	PDS	46	34
Cc1ccc(CN2CC[C@H](NC(=O)NNc3ccc(Cl)cn3)C2=O)cc1	ZINC000852277543	FE	On-Demand	Reactive	F10	29	41
C#C[C@@H](CC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852277544	CD	On-Demand	Mild	KCNQ2	51	33
C#C[C@@H](CC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852277544	CD	On-Demand	Mild	TRPV1	20	41
C#C[C@@H](CC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852277544	CD	On-Demand	Mild	SCN2A	18	44
C#C[C@@H](CC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852277544	CD	On-Demand	Mild	SCN10A	20	44
C#C[C@H](CC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852277545	CD	On-Demand	Mild	KCNQ2	51	33
C#C[C@H](CC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852277545	CD	On-Demand	Mild	TRPV1	20	41
C#C[C@H](CC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852277545	CD	On-Demand	Mild	SCN2A	18	44
C#C[C@H](CC)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852277545	CD	On-Demand	Mild	SCN10A	20	44
Cc1ccc(CN2CC[C@@H](NC(=O)NNc3ccc(Cl)cn3)C2=O)cc1	ZINC000852277547	FE	On-Demand	Reactive	F10	29	41
C#C[C@@H](CC)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852277787	DF	On-Demand	Mild	SCD1	16	40
C#C[C@@H](CC)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852277787	DF	On-Demand	Mild	SCD	22	40
C#C[C@@H](CC)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852277787	DF	On-Demand	Mild	TRPM8	26	53
C#C[C@H](CC)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852277789	DF	On-Demand	Mild	SCD1	16	40
C#C[C@H](CC)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852277789	DF	On-Demand	Mild	SCD	22	40
C#C[C@H](CC)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852277789	DF	On-Demand	Mild	TRPM8	26	53
C#C[C@@H](CC)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852277834	CD	On-Demand	Mild	CACNA1I	54	36
C#C[C@H](CC)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852277835	CD	On-Demand	Mild	CACNA1I	54	36
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCOC1)c1ccc(F)cc1	ZINC000852277836	FE	On-Demand	Reactive	CACNA1G	46	53
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCOC1)c1ccc(F)cc1	ZINC000852277837	FE	On-Demand	Reactive	CACNA1G	46	53
C#C[C@@H](CC)NC(=O)N1CCc2nccnc2C1	ZINC000852277876	BC	On-Demand	Mild	MAPK1	43	35
C#C[C@H](CC)NC(=O)N1CCc2nccnc2C1	ZINC000852277877	BC	On-Demand	Mild	MAPK1	43	35
C#C[C@@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277916	DE	On-Demand	Mild	ACHE	29	44
C#C[C@@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277916	DE	On-Demand	Mild	HTR4	40	41
C#C[C@@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277916	DE	On-Demand	Mild	SIGMAR1	23	42
C#C[C@@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277916	DE	On-Demand	Mild	SSTR5	42	33
C#C[C@@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277916	DE	On-Demand	Mild	CCR3	23	40
C#C[C@@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277916	DE	On-Demand	Mild	CACNA1I	67	42
C#C[C@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277917	DE	On-Demand	Mild	ACHE	29	44
C#C[C@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277917	DE	On-Demand	Mild	HTR4	40	41
C#C[C@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277917	DE	On-Demand	Mild	SIGMAR1	23	42
C#C[C@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277917	DE	On-Demand	Mild	SSTR5	42	33
C#C[C@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277917	DE	On-Demand	Mild	CCR3	23	40
C#C[C@H](CC)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852277917	DE	On-Demand	Mild	CACNA1I	67	42
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@H]1CCOC1	ZINC000852277969	FD	On-Demand	Reactive	TRPM8	27	52
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@@H]1CCOC1	ZINC000852277970	FD	On-Demand	Reactive	TRPM8	27	52
C#C[C@@H](CCC)NC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852278063	EG	On-Demand	Mild	TRPM8	18	49
C#C[C@@H](CCC)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852278088	GG	On-Demand	Mild	EPHX2	21	40
C#C[C@@H](CCC)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852278088	GG	On-Demand	Mild	RBP4	58	36
C#C[C@H](CC)NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852278106	FE	On-Demand	Mild	TPP2	44	32
C#C[C@H](CC)NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852278107	FE	On-Demand	Mild	TPP2	44	32
C#C[C@@H](CC)NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852278108	FE	On-Demand	Mild	TPP2	44	32
C#C[C@@H](CC)NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852278109	FE	On-Demand	Mild	TPP2	44	32
C#C[C@@H](CC)NC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852278140	CG	On-Demand	Mild	DNAE	68	32
C#C[C@H](CC)NC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852278141	CG	On-Demand	Mild	DNAE	68	32
C#C[C@H](CC)NC(=O)N1CCC[C@H]1c1c(C)cccc1C	ZINC000852278300	CH	On-Demand	Mild	LGMN	59	34
C#C[C@@H](CC)NC(=O)N1CCC[C@H]1c1c(C)cccc1C	ZINC000852278301	CH	On-Demand	Mild	LGMN	59	34
C#C[C@H](CC)NC(=O)N1CCC[C@@H]1c1c(C)cccc1C	ZINC000852278302	CH	On-Demand	Mild	LGMN	59	34
C#C[C@@H](CC)NC(=O)N1CCC[C@@H]1c1c(C)cccc1C	ZINC000852278303	CH	On-Demand	Mild	LGMN	59	34
C#C[C@@H](CC)NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852278392	DF	On-Demand	Mild	KCNQ2	42	34
C#C[C@@H](CC)NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852278392	DF	On-Demand	Mild	CACNA1I	42	33
C#C[C@@H](CC)NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852278393	DF	On-Demand	Mild	KCNQ2	42	34
C#C[C@@H](CC)NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852278393	DF	On-Demand	Mild	CACNA1I	42	33
C#C[C@H](CC)NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852278394	DF	On-Demand	Mild	KCNQ2	42	34
C#C[C@H](CC)NC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852278394	DF	On-Demand	Mild	CACNA1I	42	33
C#C[C@H](CC)NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852278395	DF	On-Demand	Mild	KCNQ2	42	34
C#C[C@H](CC)NC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852278395	DF	On-Demand	Mild	CACNA1I	42	33
C#C[C@@H](CC)NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852278424	GF	On-Demand	Mild	CCR5	76	34
C#C[C@H](CC)NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852278425	GF	On-Demand	Mild	CCR5	76	34
CO[C@@](C)(CNC(=O)N[C@H](C)c1nnnn1C1CC1)COCc1ccccc1	ZINC000852278551	GD	On-Demand	Anodyne	GHSR	34	42
CO[C@@](C)(CNC(=O)N[C@@H](C)c1nnnn1C1CC1)COCc1ccccc1	ZINC000852278552	GD	On-Demand	Anodyne	GHSR	34	42
CC(C)c1ccc2c(c1)CN(C(=O)N[C@H](C)c1nnnn1C1CC1)CC2	ZINC000852278563	FF	On-Demand	Anodyne	MAPK1	47	37
CC(C)c1ccc2c(c1)CN(C(=O)N[C@@H](C)c1nnnn1C1CC1)CC2	ZINC000852278564	FF	On-Demand	Anodyne	MAPK1	47	37
C#C[C@@H](CC)NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852278569	DC	On-Demand	Mild	TRPV1	18	40
C#C[C@H](CC)NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852278571	DC	On-Demand	Mild	TRPV1	18	40
O=C(NCC(F)(F)c1ccc(F)cc1)NNC(=O)[C@@H]1CCOC1	ZINC000852278591	ED	On-Demand	Reactive	CACNA1G	36	41
O=C(NCC(F)(F)c1ccc(F)cc1)NNC(=O)[C@H]1CCOC1	ZINC000852278592	ED	On-Demand	Reactive	CACNA1G	36	41
C#C[C@@H](CCC)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852278652	CE	On-Demand	Mild	CACNA1I	49	34
C#C[C@@H](CCC)NC(=O)N1CCN(C(=O)c2ccccc2OC)CC1	ZINC000852278664	ED	On-Demand	Mild	HCN1	48	36
C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1nnnn1C1CC1	ZINC000852278682	GF	On-Demand	Anodyne	GLRA1	43	34
C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1nnnn1C1CC1	ZINC000852278683	GF	On-Demand	Anodyne	GLRA1	43	34
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1CCOC1	ZINC000852278730	EC	On-Demand	Reactive	SCN2A	17	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1CCOC1	ZINC000852278730	EC	On-Demand	Reactive	SCN10A	23	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1CCOC1	ZINC000852278731	EC	On-Demand	Reactive	SCN2A	17	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1CCOC1	ZINC000852278731	EC	On-Demand	Reactive	SCN10A	23	43
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278760	ED	On-Demand	Reactive	DRD2	29	48
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278760	ED	On-Demand	Reactive	SLC6A1	46	33
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278760	ED	On-Demand	Reactive	SIGMAR1	34	46
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278760	ED	On-Demand	Reactive	EPHX2	15	41
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278760	ED	On-Demand	Reactive	CACNA1G	24	40
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278761	ED	On-Demand	Reactive	DRD2	29	48
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278761	ED	On-Demand	Reactive	SLC6A1	46	33
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278761	ED	On-Demand	Reactive	SIGMAR1	34	46
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278761	ED	On-Demand	Reactive	EPHX2	15	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)C1CCCC1	ZINC000852278761	ED	On-Demand	Reactive	CACNA1G	24	40
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NNC(=O)C1CCCC1	ZINC000852278776	FG	On-Demand	Reactive	GRM5	20	40
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NNC(=O)C1CCCC1	ZINC000852278776	FG	On-Demand	Reactive	MDM2	43	33
COC(=O)c1ccc(CNC(=O)NNC(=O)C2CCCC2)c(F)c1	ZINC000852278786	ED	On-Demand	Reactive	EPHX2	22	40
Cn1cc(CCNC(=O)NNC(=O)C2CCCC2)c2ccccc21	ZINC000852278801	EE	On-Demand	Reactive	HTR4	22	40
Cn1cc(CCNC(=O)NNC(=O)C2CCCC2)c2ccccc21	ZINC000852278801	EE	On-Demand	Reactive	MTNR1A	28	44
Cn1cc(CCNC(=O)NNC(=O)C2CCCC2)c2ccccc21	ZINC000852278801	EE	On-Demand	Reactive	MTNR1B	22	46
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	DRD4	15	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	ACHE	34	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	HTR4	38	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	GRIN2B	18	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	HRH3	17	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	SIGMAR1	30	46
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	SSTR5	43	33
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	CCR3	25	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)C1CCCC1	ZINC000852278842	FD	On-Demand	Reactive	CACNA1I	64	43
Cn1ncc(C2CC2)c1CNC(=O)NNC(=O)C1CCCC1	ZINC000852278876	DD	On-Demand	Reactive	TBK1	51	37
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNC(=O)C1CCCC1	ZINC000852278877	FF	On-Demand	Reactive	DRD3	18	47
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNC(=O)C1CCCC1	ZINC000852278878	FF	On-Demand	Reactive	DRD3	18	47
O=C(NNC(=O)C1CCCC1)NNc1ccc(Cl)cn1	ZINC000852278901	CD	On-Demand	Reactive	F10	27	44
O=C(NNC(=O)C1CCCC1)NC1CCC(C2CCC2)CC1	ZINC000852278903	DF	On-Demand	Reactive	EPHX2	25	44
O=C(NCC(F)(F)c1ccc(F)cc1)NNC(=O)C1CCCC1	ZINC000852278943	EE	On-Demand	Reactive	CACNA1G	43	47
O=C(NNC(=O)N1CC[C@@H](N2CCOC2=O)C1)C1CCCC1	ZINC000852278973	DC	On-Demand	Reactive	L3MBTL3	40	35
O=C(NNC(=O)N1CC[C@H](N2CCOC2=O)C1)C1CCCC1	ZINC000852278974	DC	On-Demand	Reactive	L3MBTL3	40	35
O=C(N[C@@H]1CCNC1=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl	ZINC000852278982	EE	On-Demand	Anodyne	TRAR	40	32
O=C(N[C@H]1CCNC1=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl	ZINC000852278983	EE	On-Demand	Anodyne	TRAR	40	32
O=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)N[C@@H]1CCNC1=O	ZINC000852278984	EE	On-Demand	Anodyne	TRAR	40	32
O=C(N[C@H]1CCNC1=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl	ZINC000852278985	EE	On-Demand	Anodyne	TRAR	40	32
CO[C@@](C)(CNC(=O)NNC(=O)C1CCCC1)COCc1ccccc1	ZINC000852279004	FE	On-Demand	Reactive	FKBP1A	34	44
CO[C@@](C)(CNC(=O)NNC(=O)C1CCCC1)COCc1ccccc1	ZINC000852279004	FE	On-Demand	Reactive	AMY2	42	29
CO[C@@](C)(CNC(=O)NNC(=O)C1CCCC1)COCc1ccccc1	ZINC000852279004	FE	On-Demand	Reactive	SLC12A5	46	36
CCC(CC)(CNC(=O)NNC(=O)C1CCCC1)c1ccc(F)cc1	ZINC000852279030	EG	On-Demand	Reactive	CACNA1G	53	61
O=C(NNC(=O)N1CCc2nc(-c3ccccc3)sc2C1)C1CCCC1	ZINC000852279038	FG	On-Demand	Reactive	GRM5	15	58
O=C(NNC(=O)N1CCc2nc(-c3ccccc3)sc2C1)C1CCCC1	ZINC000852279038	FG	On-Demand	Reactive	P2RY14	40	35
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)C3CCCC3)C2)c1	ZINC000852279041	EF	On-Demand	Reactive	MTNR1A	31	40
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)C3CCCC3)C2)c1	ZINC000852279041	EF	On-Demand	Reactive	MTNR1B	34	40
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)C1CCCC1	ZINC000852279056	CD	On-Demand	Reactive	L3MBTL3	46	35
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)C1CCCC1	ZINC000852279057	CD	On-Demand	Reactive	L3MBTL3	46	35
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)C1CCCC1	ZINC000852279058	CD	On-Demand	Reactive	L3MBTL3	46	35
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)C1CCCC1	ZINC000852279059	CD	On-Demand	Reactive	L3MBTL3	46	35
O=C(NNC(=O)C1CCCC1)NC1CCC2(CC1)CC2(F)F	ZINC000852279067	DE	On-Demand	Reactive	EPHX2	16	43
NC(=O)c1cccc2c1CCN(C(=O)NNC(=O)C1CCCC1)C2	ZINC000852279079	ED	On-Demand	Reactive	PARP1	17	41
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)C1CCCC1	ZINC000852279153	DD	On-Demand	Reactive	TBK1	50	36
O=C(NC[C@H]1CN(Cc2ccccc2)CC12CCC2)NNC(=O)C1CCCC1	ZINC000852279182	GF	On-Demand	Reactive	SIGMAR1	31	45
O=C(NC[C@H]1CN(Cc2ccccc2)CC12CCC2)NNC(=O)C1CCCC1	ZINC000852279182	GF	On-Demand	Reactive	CACNA1G	23	44
O=C(NC[C@H]1CN(Cc2ccccc2)CC12CCC2)NNC(=O)C1CCCC1	ZINC000852279182	GF	On-Demand	Reactive	SLC12A5	55	37
O=C(NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)NNC(=O)C1CCCC1	ZINC000852279183	GF	On-Demand	Reactive	SIGMAR1	31	45
O=C(NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)NNC(=O)C1CCCC1	ZINC000852279183	GF	On-Demand	Reactive	CACNA1G	23	44
O=C(NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)NNC(=O)C1CCCC1	ZINC000852279183	GF	On-Demand	Reactive	SLC12A5	55	37
N#Cc1ccc(CCNC(=O)NNC(=O)C2CCCC2)cc1	ZINC000852279206	DD	On-Demand	Reactive	CTSC	19	41
N#Cc1ccc(CCNC(=O)NNC(=O)C2CCCC2)cc1	ZINC000852279206	DD	On-Demand	Reactive	GPBAR1	37	46
O=C(NCCc1ccnc2ccccc12)NNC(=O)C1CCCC1	ZINC000852279208	EE	On-Demand	Reactive	MTNR1A	25	46
O=C(NCCc1ccnc2ccccc12)NNC(=O)C1CCCC1	ZINC000852279208	EE	On-Demand	Reactive	MTNR1B	18	41
O=C(NCCc1ccnc2ccccc12)NNC(=O)C1CCCC1	ZINC000852279208	EE	On-Demand	Reactive	HNMT	50	38
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)C1CCCC1	ZINC000852279213	DD	On-Demand	Reactive	CACNA1I	53	35
O=C(NCc1cc(F)ccc1OC(F)F)NNC(=O)C1CCCC1	ZINC000852279234	EE	On-Demand	Reactive	P2RX7	28	42
O=C(NNC(=O)C1CCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852279244	DE	On-Demand	Reactive	EPHX2	48	43
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCc2ccccc21	ZINC000852279309	CE	On-Demand	Reactive	XIAP	21	44
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCc2ccccc21	ZINC000852279309	CE	On-Demand	Reactive	BIRC2	41	39
NS(=O)(=O)c1cc(CNC(=O)NNC(=O)C2CCCC2)ccc1F	ZINC000852279312	FC	On-Demand	Reactive	EPHX2	15	40
O=C(NCC(F)(F)c1cccc(F)c1)NNC(=O)C1CCCC1	ZINC000852279321	EE	On-Demand	Reactive	CACNA1G	39	45
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)C1CCCC1	ZINC000852279335	EG	On-Demand	Reactive	OPRK1	26	45
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)C1CCCC1	ZINC000852279335	EG	On-Demand	Reactive	SIGMAR1	18	48
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)C1CCCC1	ZINC000852279335	EG	On-Demand	Reactive	P2RX7	33	47
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)C1CCCC1	ZINC000852279335	EG	On-Demand	Reactive	CCR3	17	49
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)C1CCCC1	ZINC000852279335	EG	On-Demand	Reactive	SSTR3	19	46
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)C1CCCC1	ZINC000852279335	EG	On-Demand	Reactive	EPHX2	26	51
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)C1CCCC1	ZINC000852279335	EG	On-Demand	Reactive	RPA1	48	33
O=C(NNC(=O)C1CCCC1)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852279344	GH	On-Demand	Reactive	BDKRB1	55	38
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852279345	GH	On-Demand	Reactive	BDKRB1	55	38
CCNC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1	ZINC000852279347	FD	On-Demand	Clean	MTNR1A	18	45
CCNC(=O)C1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCC1	ZINC000852279347	FD	On-Demand	Clean	MTNR1B	19	45
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCCc1ccnc2ccccc12	ZINC000852279348	FF	On-Demand	Anodyne	MTNR1A	21	43
CCNC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1	ZINC000852279349	FD	On-Demand	Clean	MTNR1A	18	45
CCNC(=O)C1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCC1	ZINC000852279349	FD	On-Demand	Clean	MTNR1B	19	45
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCc2nccnc2C1	ZINC000852279375	ED	On-Demand	Anodyne	MAPK1	50	39
COc1cccc([C@]2(C)CCN(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)C2)c1	ZINC000852279383	GG	On-Demand	Anodyne	DRD4	42	32
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852279401	FF	On-Demand	Anodyne	FPR1	43	34
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852279417	GE	On-Demand	Anodyne	SCN2A	18	43
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852279417	GE	On-Demand	Anodyne	REN	45	34
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852279417	GE	On-Demand	Anodyne	SCN10A	31	43
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852279417	GE	On-Demand	Anodyne	FPR1	43	35
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852279418	EE	On-Demand	Mild	PAPA1_CARPA	38	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852279418	EE	On-Demand	Mild	CTRB_BOVIN	48	39
O=C(NCc1ccc(C2CCC2)cc1)NCc1ncccn1	ZINC000852279435	CF	On-Demand	Anodyne	CDK5	41	38
O=C(NNc1ccc(Cl)cn1)NC1CC(F)(F)C1	ZINC000852279445	CE	On-Demand	Reactive	F10	22	40
COCCS(=O)(=O)c1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852279452	FC	On-Demand	Anodyne	CA9	20	40
COCCS(=O)(=O)c1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852279452	FC	On-Demand	Anodyne	NAMPT	110	46
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(N3CCOCC3)CC2)O1	ZINC000852279464	FA	On-Demand	Reactive	HCN1	65	36
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(N3CCOCC3)CC2)O1	ZINC000852279464	FA	On-Demand	Reactive	HCN4	47	30
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(N3CCOCC3)CC2)O1	ZINC000852279465	FA	On-Demand	Reactive	HCN1	65	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(N3CCOCC3)CC2)O1	ZINC000852279465	FA	On-Demand	Reactive	HCN4	47	30
O=C(NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CCCC1	ZINC000852279468	FF	On-Demand	Reactive	KCNH2	42	41
O=C(NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CCCC1	ZINC000852279468	FF	On-Demand	Reactive	EPHX2	21	44
O=C(NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CCCC1	ZINC000852279468	FF	On-Demand	Reactive	GLRA1	41	32
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NNC(=O)C1CCCC1)CCC2	ZINC000852279497	FE	On-Demand	Reactive	NQO2	23	43
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NNC(=O)C1CCCC1)CCC2	ZINC000852279497	FE	On-Demand	Reactive	MTNR1A	16	45
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NNC(=O)C1CCCC1)CCC2	ZINC000852279497	FE	On-Demand	Reactive	MTNR1B	19	43
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NNC(=O)C1CCCC1)CCC2	ZINC000852279499	FE	On-Demand	Reactive	NQO2	23	43
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NNC(=O)C1CCCC1)CCC2	ZINC000852279499	FE	On-Demand	Reactive	MTNR1A	16	45
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NNC(=O)C1CCCC1)CCC2	ZINC000852279499	FE	On-Demand	Reactive	MTNR1B	19	43
O=C(NNC(=O)C1CCCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852279501	FE	On-Demand	Reactive	SSTR3	34	48
O=C(NCC1(N2CCOCC2)CC1)NNc1ccc(Cl)cn1	ZINC000852279526	ED	On-Demand	Reactive	HCN1	73	39
O=C(NCC1(N2CCOCC2)CC1)NNc1ccc(Cl)cn1	ZINC000852279526	ED	On-Demand	Reactive	HCN4	51	33
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCCC3)C2)cc1	ZINC000852279532	ED	On-Demand	Reactive	MMP13	18	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCCC3)C2)cc1	ZINC000852279532	ED	On-Demand	Reactive	MTNR1A	24	47
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCCC3)C2)cc1	ZINC000852279532	ED	On-Demand	Reactive	MTNR1B	23	47
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCCC3)C2)cc1	ZINC000852279532	ED	On-Demand	Reactive	MMP3	24	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCCC3)C2)cc1	ZINC000852279532	ED	On-Demand	Reactive	EPHX2	24	45
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCCC3)C2)cc1	ZINC000852279532	ED	On-Demand	Reactive	MMP7	22	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCCC3)C2)cc1	ZINC000852279532	ED	On-Demand	Reactive	MMP1	22	40
O=C(NNC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)C1CCCC1	ZINC000852279538	FD	On-Demand	Reactive	SIGMAR1	19	42
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)C1CCCC1	ZINC000852279599	DF	On-Demand	Reactive	P2RX7	21	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)C1CCCC1	ZINC000852279599	DF	On-Demand	Reactive	CCR3	52	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)C1CCCC1	ZINC000852279603	DF	On-Demand	Reactive	P2RX7	21	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)C1CCCC1	ZINC000852279603	DF	On-Demand	Reactive	CCR3	52	34
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCCC1	ZINC000852279625	DD	On-Demand	Reactive	HTR1A	16	48
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCCC1	ZINC000852279625	DD	On-Demand	Reactive	DRD2	24	47
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCCC1	ZINC000852279625	DD	On-Demand	Reactive	DRD3	21	41
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCCC1	ZINC000852279625	DD	On-Demand	Reactive	MTNR1A	33	40
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCCC1	ZINC000852279625	DD	On-Demand	Reactive	MTNR1B	36	40
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCCC1	ZINC000852279625	DD	On-Demand	Reactive	STK17B	40	38
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C1CCCC1	ZINC000852279626	FF	On-Demand	Reactive	EPHX2	15	58
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)C1CCCC1	ZINC000852279626	FF	On-Demand	Reactive	TRPM8	30	55
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852279673	FE	On-Demand	Anodyne	PAPA1_CARPA	34	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852279673	FE	On-Demand	Anodyne	CTSK	20	46
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852279673	FE	On-Demand	Anodyne	SOAT1	22	49
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852279673	FE	On-Demand	Anodyne	REN	37	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852279673	FE	On-Demand	Anodyne	FPR1	47	37
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852279674	FE	On-Demand	Anodyne	PAPA1_CARPA	34	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852279674	FE	On-Demand	Anodyne	CTSK	20	46
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852279674	FE	On-Demand	Anodyne	SOAT1	22	49
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852279674	FE	On-Demand	Anodyne	REN	37	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852279674	FE	On-Demand	Anodyne	FPR1	47	37
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852279675	FE	On-Demand	Anodyne	PAPA1_CARPA	34	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852279675	FE	On-Demand	Anodyne	CTSK	20	46
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852279675	FE	On-Demand	Anodyne	SOAT1	22	49
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852279675	FE	On-Demand	Anodyne	REN	37	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852279675	FE	On-Demand	Anodyne	FPR1	47	37
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852279676	FE	On-Demand	Anodyne	PAPA1_CARPA	34	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852279676	FE	On-Demand	Anodyne	CTSK	20	46
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852279676	FE	On-Demand	Anodyne	SOAT1	22	49
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852279676	FE	On-Demand	Anodyne	REN	37	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852279676	FE	On-Demand	Anodyne	FPR1	47	37
COC(=O)N(C)CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852279681	GD	On-Demand	Anodyne	DRD4	34	43
COC(=O)N(C)CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852279681	GD	On-Demand	Anodyne	ACHE	23	40
COC(=O)N(C)CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852279682	GD	On-Demand	Anodyne	DRD4	34	43
COC(=O)N(C)CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852279682	GD	On-Demand	Anodyne	ACHE	23	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCC1=CCCC1	ZINC000852279684	CE	On-Demand	Anodyne	FPR1	35	41
O=C(NCCC1SCCS1)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852279696	GF	On-Demand	Anodyne	DRD4	25	44
O=C(NCCC1SCCS1)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852279696	GF	On-Demand	Anodyne	ACHE	23	42
O=C(NCCC1SCCS1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852279697	GF	On-Demand	Anodyne	DRD4	25	44
O=C(NCCC1SCCS1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852279697	GF	On-Demand	Anodyne	ACHE	23	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCCC1	ZINC000852279699	ED	On-Demand	Reactive	P2RX7	25	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCCC1	ZINC000852279699	ED	On-Demand	Reactive	SCN2A	19	47
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCCC1	ZINC000852279699	ED	On-Demand	Reactive	SCN10A	20	47
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCCC1	ZINC000852279699	ED	On-Demand	Reactive	GPBAR1	15	44
C[C@@H](CCCC(F)(F)F)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852279730	FI	On-Demand	Anodyne	KCNJ11	65	35
C[C@@H](CCCC(F)(F)F)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852279733	FI	On-Demand	Anodyne	KCNJ11	65	35
O=C(NNC(=O)C1CCCC1)N[C@@H]1C[C@H]1c1ccccc1Cl	ZINC000852279740	DF	On-Demand	Reactive	EPHX2	21	40
COc1ccc(N2CC[C@H](NC(=O)NC3CC(F)(F)C3)C2)cc1	ZINC000852279845	EE	On-Demand	Clean	MTNR1A	17	47
COc1ccc(N2CC[C@H](NC(=O)NC3CC(F)(F)C3)C2)cc1	ZINC000852279845	EE	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)NC3CC(F)(F)C3)C2)cc1	ZINC000852279845	EE	On-Demand	Clean	EPHX2	32	42
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)NCCc1ccc(C#N)cc1	ZINC000852279866	GG	On-Demand	Mild	GPR119	38	48
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)NCCc1ccc(C#N)cc1	ZINC000852279870	GG	On-Demand	Mild	GPR119	38	48
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279882	EE	On-Demand	Reactive	CCR5	46	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279882	EE	On-Demand	Reactive	AMY2	44	31
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279882	EE	On-Demand	Reactive	EPHX2	16	42
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279882	EE	On-Demand	Reactive	SFRP1	57	34
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279882	EE	On-Demand	Reactive	WNT3	54	34
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279883	EE	On-Demand	Reactive	CCR5	46	42
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279883	EE	On-Demand	Reactive	AMY2	44	31
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279883	EE	On-Demand	Reactive	EPHX2	16	42
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279883	EE	On-Demand	Reactive	SFRP1	57	34
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)C2CCCC2)C1	ZINC000852279883	EE	On-Demand	Reactive	WNT3	54	34
O=C(NNC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)C1CCCC1	ZINC000852279968	GD	On-Demand	Reactive	ACE	42	39
O=C(NNC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)C1CCCC1	ZINC000852279968	GD	On-Demand	Reactive	SLC6A1	42	34
O=C(NNC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)C1CCCC1	ZINC000852279968	GD	On-Demand	Reactive	SIGMAR1	30	46
O=C(NNC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)C1CCCC1	ZINC000852279968	GD	On-Demand	Reactive	SAP2	33	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCCCOC(C)(C)C	ZINC000852279998	EE	On-Demand	Anodyne	CTSK	15	43
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(Cc1ccccc1F)CC1CC1	ZINC000852280007	GH	On-Demand	Anodyne	PAPA1_CARPA	25	43
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852280019	GD	On-Demand	Anodyne	ACE	15	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852280019	GD	On-Demand	Anodyne	CCKAR	19	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852280019	GD	On-Demand	Anodyne	PYGL	32	45
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852280019	GD	On-Demand	Anodyne	PYGM	28	45
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852280020	GD	On-Demand	Anodyne	ACE	15	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852280020	GD	On-Demand	Anodyne	CCKAR	19	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852280020	GD	On-Demand	Anodyne	PYGL	32	45
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852280020	GD	On-Demand	Anodyne	PYGM	28	45
C=CCCNC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000852280029	CD	On-Demand	Mild	CTSK	15	43
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCCCC1CCC1	ZINC000852280061	DF	On-Demand	Anodyne	CTSK	15	47
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852280074	GE	On-Demand	Anodyne	CACNA1I	51	34
COCCN(CCF)C(=O)NCc1ccc(OCc2cccc(C)c2)cc1	ZINC000852280087	FH	On-Demand	Anodyne	MAOB	19	40
COCCN(CCF)C(=O)NCc1ccc(OCc2cccc(C)c2)cc1	ZINC000852280087	FH	On-Demand	Anodyne	FFAR1	40	42
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)NNc1ccc(Cl)cn1	ZINC000852280130	GF	On-Demand	Reactive	DRD4	36	48
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)NNc1ccc(Cl)cn1	ZINC000852280130	GF	On-Demand	Reactive	F10	22	42
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)NNc1ccc(Cl)cn1	ZINC000852280133	GF	On-Demand	Reactive	DRD4	36	48
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)NNc1ccc(Cl)cn1	ZINC000852280133	GF	On-Demand	Reactive	F10	22	42
COC(=O)N(C)CCNC(=O)NCC1(N2CCOCC2)CC1	ZINC000852280157	DB	On-Demand	Anodyne	HCN1	57	36
COC(=O)N(C)CCNC(=O)NCC1(N2CCOCC2)CC1	ZINC000852280157	DB	On-Demand	Anodyne	HCN4	47	30
C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)C1	ZINC000852280217	EF	On-Demand	Mild	REN	37	41
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)C1	ZINC000852280219	EF	On-Demand	Mild	REN	37	41
COCCN(CCF)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280253	FD	On-Demand	Anodyne	DRD4	33	41
COCCN(CCF)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280253	FD	On-Demand	Anodyne	SLC6A1	56	33
COCCN(CCF)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280255	FD	On-Demand	Anodyne	DRD4	33	41
COCCN(CCF)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280255	FD	On-Demand	Anodyne	SLC6A1	56	33
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC2CC1(c1ccccc1)C2	ZINC000852280262	FG	On-Demand	Anodyne	FPR1	42	34
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc2occc2c1	ZINC000852280265	EG	On-Demand	Anodyne	FPR1	42	33
COCCN(CCF)C(=O)NC[C@H]1CSCCN1Cc1ccccc1	ZINC000852280297	FE	On-Demand	Anodyne	DRD2	20	44
COCCN(CCF)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1	ZINC000852280299	FE	On-Demand	Anodyne	DRD2	20	44
O=C(NCC1SCCS1)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280363	GE	On-Demand	Anodyne	DRD4	29	45
O=C(NCC1SCCS1)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280363	GE	On-Demand	Anodyne	SIGMAR1	27	40
O=C(NCC1SCCS1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280365	GE	On-Demand	Anodyne	DRD4	29	45
O=C(NCC1SCCS1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280365	GE	On-Demand	Anodyne	SIGMAR1	27	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852280367	FE	On-Demand	Anodyne	CACNA1I	64	38
COC(=O)c1ccc(CNC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c(F)c1	ZINC000852280386	GE	On-Demand	Anodyne	BDKRB1	24	43
O=C(NCc1ncccn1)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280396	FD	On-Demand	Anodyne	DRD4	33	44
O=C(NCc1ncccn1)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280396	FD	On-Demand	Anodyne	HRH2	16	41
O=C(NCc1ncccn1)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280396	FD	On-Demand	Anodyne	SIGMAR1	30	41
O=C(NCc1ncccn1)NC[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280396	FD	On-Demand	Anodyne	PDE8B	23	41
O=C(NCc1ncccn1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280397	FD	On-Demand	Anodyne	DRD4	33	44
O=C(NCc1ncccn1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280397	FD	On-Demand	Anodyne	HRH2	16	41
O=C(NCc1ncccn1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280397	FD	On-Demand	Anodyne	SIGMAR1	30	41
O=C(NCc1ncccn1)NC[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852280397	FD	On-Demand	Anodyne	PDE8B	23	41
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852280417	GE	On-Demand	Anodyne	DRD2	19	44
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852280417	GE	On-Demand	Anodyne	ACHE	15	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852280417	GE	On-Demand	Anodyne	PGC	47	33
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852280417	GE	On-Demand	Anodyne	SIGMAR1	17	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852280417	GE	On-Demand	Anodyne	CCKAR	16	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852280417	GE	On-Demand	Anodyne	REN	41	38
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852280417	GE	On-Demand	Anodyne	FPR1	51	37
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852280419	GE	On-Demand	Anodyne	DRD2	19	44
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852280419	GE	On-Demand	Anodyne	ACHE	15	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852280419	GE	On-Demand	Anodyne	PGC	47	33
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852280419	GE	On-Demand	Anodyne	SIGMAR1	17	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852280419	GE	On-Demand	Anodyne	CCKAR	16	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852280419	GE	On-Demand	Anodyne	REN	41	38
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852280419	GE	On-Demand	Anodyne	FPR1	51	37
O=C(NCc1ncccn1)NCC1(N2CCOCC2)CC1	ZINC000852280462	CC	On-Demand	Anodyne	HCN1	64	38
O=C(NCc1ncccn1)NCC1(N2CCOCC2)CC1	ZINC000852280462	CC	On-Demand	Anodyne	HCN4	50	34
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000852280479	DG	On-Demand	Anodyne	CTSK	15	41
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852280513	GF	On-Demand	Anodyne	FPR1	43	35
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852280513	GF	On-Demand	Anodyne	GPR119	20	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852280513	GF	On-Demand	Anodyne	SFRP1	86	36
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852280513	GF	On-Demand	Anodyne	WNT3	66	36
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852280514	GF	On-Demand	Anodyne	FPR1	43	35
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852280514	GF	On-Demand	Anodyne	GPR119	20	42
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852280514	GF	On-Demand	Anodyne	SFRP1	86	36
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852280514	GF	On-Demand	Anodyne	WNT3	66	36
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C=CCC1	ZINC000852280526	EE	On-Demand	Anodyne	DRD4	32	44
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C=CCC1	ZINC000852280526	EE	On-Demand	Anodyne	ACHE	22	41
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C=CCC1	ZINC000852280526	EE	On-Demand	Anodyne	SIGMAR1	26	40
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C=CCC1	ZINC000852280526	EE	On-Demand	Anodyne	CCR3	16	48
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C=CCC1	ZINC000852280528	EE	On-Demand	Anodyne	DRD4	32	44
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C=CCC1	ZINC000852280528	EE	On-Demand	Anodyne	ACHE	22	41
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C=CCC1	ZINC000852280528	EE	On-Demand	Anodyne	SIGMAR1	26	40
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C=CCC1	ZINC000852280528	EE	On-Demand	Anodyne	CCR3	16	48
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1C=CCC1	ZINC000852280529	EE	On-Demand	Anodyne	DRD4	32	44
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1C=CCC1	ZINC000852280529	EE	On-Demand	Anodyne	ACHE	22	41
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1C=CCC1	ZINC000852280529	EE	On-Demand	Anodyne	SIGMAR1	26	40
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1C=CCC1	ZINC000852280529	EE	On-Demand	Anodyne	CCR3	16	48
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1C=CCC1	ZINC000852280530	EE	On-Demand	Anodyne	DRD4	32	44
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1C=CCC1	ZINC000852280530	EE	On-Demand	Anodyne	ACHE	22	41
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1C=CCC1	ZINC000852280530	EE	On-Demand	Anodyne	SIGMAR1	26	40
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1C=CCC1	ZINC000852280530	EE	On-Demand	Anodyne	CCR3	16	48
O=C(NC[C@H](O)c1cccc2ccccc12)NCC1(N2CCOCC2)CC1	ZINC000852280607	FE	On-Demand	Anodyne	HCN1	69	39
O=C(NC[C@H](O)c1cccc2ccccc12)NCC1(N2CCOCC2)CC1	ZINC000852280607	FE	On-Demand	Anodyne	HCN4	51	33
O=C(NC[C@@H](O)c1cccc2ccccc12)NCC1(N2CCOCC2)CC1	ZINC000852280608	FE	On-Demand	Anodyne	HCN1	69	39
O=C(NC[C@@H](O)c1cccc2ccccc12)NCC1(N2CCOCC2)CC1	ZINC000852280608	FE	On-Demand	Anodyne	HCN4	51	33
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CCc2nccnc2C1	ZINC000852280619	GE	On-Demand	Anodyne	GPR119	41	43
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CCc2nccnc2C1	ZINC000852280621	GE	On-Demand	Anodyne	GPR119	41	43
COCCS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C=CCC2)cc1	ZINC000852280676	ED	On-Demand	Anodyne	NAMPT	50	35
COCCS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852280677	ED	On-Demand	Anodyne	NAMPT	50	35
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NC2CC(F)(F)C2)O1	ZINC000852280699	GD	On-Demand	Reactive	DRD4	17	40
CC[C@@H](C)CCNC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C	ZINC000852280753	DF	On-Demand	Anodyne	CTSK	18	43
COCCN(CCF)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852280838	FH	On-Demand	Anodyne	PTGER3	51	38
COCCN(CCF)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852280838	FH	On-Demand	Anodyne	ACE2	28	42
COCCN(CCF)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852280838	FH	On-Demand	Anodyne	PDS	55	37
Cc1ccncc1CCNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000852280861	GF	On-Demand	Anodyne	GPR119	39	45
Cc1ccncc1CCNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000852280862	GF	On-Demand	Anodyne	GPR119	39	45
Cc1ccncc1CCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000852280863	GF	On-Demand	Anodyne	GPR119	39	45
Cc1ccncc1CCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000852280864	GF	On-Demand	Anodyne	GPR119	39	45
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)COc1c(F)cccc1F	ZINC000852280897	GF	On-Demand	Anodyne	PAPA1_CARPA	28	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H](C)COc1c(F)cccc1F	ZINC000852280897	GF	On-Demand	Anodyne	FPR1	40	34
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)COc1c(F)cccc1F	ZINC000852280898	GF	On-Demand	Anodyne	PAPA1_CARPA	28	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H](C)COc1c(F)cccc1F	ZINC000852280898	GF	On-Demand	Anodyne	FPR1	40	34
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852280939	EF	On-Demand	Anodyne	REN	32	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852280940	EF	On-Demand	Anodyne	REN	32	40
COCCS(=O)(=O)c1ccc(CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852280941	GD	On-Demand	Reactive	F10	33	43
COCCS(=O)(=O)c1ccc(CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852280941	GD	On-Demand	Reactive	NAMPT	45	38
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852280947	GG	On-Demand	Anodyne	SOAT1	20	48
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852280947	GG	On-Demand	Anodyne	REN	42	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852280947	GG	On-Demand	Anodyne	FPR1	47	36
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852280948	GG	On-Demand	Anodyne	SOAT1	20	48
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852280948	GG	On-Demand	Anodyne	REN	42	40
C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852280948	GG	On-Demand	Anodyne	FPR1	47	36
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1COC2(CCC2)C1	ZINC000852280949	FE	On-Demand	Anodyne	DRD4	23	40
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1COC2(CCC2)C1	ZINC000852280950	FE	On-Demand	Anodyne	DRD4	23	40
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1COC2(CCC2)C1	ZINC000852280951	FE	On-Demand	Anodyne	DRD4	23	40
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@H]1COC2(CCC2)C1	ZINC000852280952	FE	On-Demand	Anodyne	DRD4	23	40
COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)cc1F	ZINC000852280956	GH	On-Demand	Anodyne	ELANE	24	40
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)NCc1ncccn1	ZINC000852280977	ED	On-Demand	Anodyne	GPR119	49	47
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)NCc1ncccn1	ZINC000852280978	ED	On-Demand	Anodyne	GPR119	49	47
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)NCc2cccnn2)O1	ZINC000852281026	GC	On-Demand	Reactive	PDE8B	40	31
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852281088	GG	On-Demand	Reactive	GPR119	42	37
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)NNc1ccc(Cl)cn1	ZINC000852281090	GG	On-Demand	Reactive	GPR119	42	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281146	GG	On-Demand	Anodyne	PTGER3	50	39
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281146	GG	On-Demand	Anodyne	CAPN1	46	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281146	GG	On-Demand	Anodyne	CAPN2	72	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281146	GG	On-Demand	Anodyne	ACE2	23	43
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281146	GG	On-Demand	Anodyne	PDS	62	39
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281147	GG	On-Demand	Anodyne	PTGER3	50	39
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281147	GG	On-Demand	Anodyne	CAPN1	46	37
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281147	GG	On-Demand	Anodyne	CAPN2	72	37
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281147	GG	On-Demand	Anodyne	ACE2	23	43
COC(=O)N(C)CCNC(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1	ZINC000852281147	GG	On-Demand	Anodyne	PDS	62	39
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1Cc2ccccc2[C@H]1C	ZINC000852281193	FH	On-Demand	Anodyne	WNT3	42	35
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1Cc2ccccc2[C@H]1C	ZINC000852281194	FH	On-Demand	Anodyne	WNT3	42	35
O=C(NCC1(N2CCOCC2)CC1)NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000852281264	GB	On-Demand	Reactive	HCN1	48	35
O=C(NCC1(N2CCOCC2)CC1)NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000852281264	GB	On-Demand	Reactive	HCN4	41	32
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852281371	GD	On-Demand	Reactive	GPR119	34	41
C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852281372	GD	On-Demand	Reactive	GPR119	34	41
O=C(NCC1(N2CCOCC2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852281405	EC	On-Demand	Reactive	SLC6A9	15	40
O=C(NCC1(N2CCOCC2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852281405	EC	On-Demand	Reactive	HCN1	74	39
O=C(NCC1(N2CCOCC2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852281405	EC	On-Demand	Reactive	HCN4	51	33
COc1ccc(N2CC[C@H](NC(=O)NCC3(N4CCOCC4)CC3)C2)cc1	ZINC000852281448	FD	On-Demand	Clean	MTNR1A	16	44
COc1ccc(N2CC[C@H](NC(=O)NCC3(N4CCOCC4)CC3)C2)cc1	ZINC000852281448	FD	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)NCC3(N4CCOCC4)CC3)C2)cc1	ZINC000852281448	FD	On-Demand	Clean	HCN1	53	36
COc1ccc(N2CC[C@H](NC(=O)NCC3(N4CCOCC4)CC3)C2)cc1	ZINC000852281448	FD	On-Demand	Clean	HCN4	41	32
O=C(NCc1cccnn1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852281561	FE	On-Demand	Anodyne	NAMPT	22	40
O=C(NCC1CCN(C2CC2)CC1)NNc1ccc(Cl)cn1	ZINC000852281630	DE	On-Demand	Reactive	CACNA1I	59	36
O=C(NCC1CCN(C2CC2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852281633	ED	On-Demand	Anodyne	L3MBTL3	46	35
O=C(NCC1CCN(C2CC2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852281634	ED	On-Demand	Anodyne	L3MBTL3	46	35
C[C@H]1C[C@H](NC(=O)NCCc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C	ZINC000852281661	GG	On-Demand	Mild	GPR119	18	46
CCSC1(CNC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1	ZINC000852281664	FF	On-Demand	Reactive	PDS	47	38
CCSC1(CNC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1	ZINC000852281665	FF	On-Demand	Reactive	PDS	47	38
CC(C)(C)OC(=O)NCCCN[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1	ZINC000852281682	FF	On-Demand	Anodyne	PANC	44	31
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N(C)Cc1cnc[nH]1	ZINC000852281693	FD	On-Demand	Reactive	TAAR1	28	48
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1CCN(C2CC2)CC1	ZINC000852281701	GE	On-Demand	Clean	L3MBTL3	48	38
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCCC(C)(C)F	ZINC000852281738	EF	On-Demand	Reactive	PDS	49	35
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)C1	ZINC000852281758	FE	On-Demand	Reactive	TIMP3	55	33
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)C1	ZINC000852281759	FE	On-Demand	Reactive	TIMP3	55	33
O=C(NCC1CCN(C2CC2)CC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852281760	GG	On-Demand	Anodyne	CCR3	55	40
O=C(NCC1CCN(C2CC2)CC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852281760	GG	On-Demand	Anodyne	CACNA1I	61	43
O=C(NCC1CCN(C2CC2)CC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852281761	GG	On-Demand	Anodyne	CCR3	55	40
O=C(NCC1CCN(C2CC2)CC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852281761	GG	On-Demand	Anodyne	CACNA1I	61	43
O=c1cc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)c2ccc(O)cc2o1	ZINC000852281776	GF	On-Demand	Anodyne	HSD17B3	25	41
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C4CC4)CC3)C2)cc1	ZINC000852281782	FE	On-Demand	Clean	CHRM2	43	35
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C4CC4)CC3)C2)cc1	ZINC000852281782	FE	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(C4CC4)CC3)C2)cc1	ZINC000852281782	FE	On-Demand	Clean	MTNR1B	15	46
CCO[C@@H](CNC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852281796	FF	On-Demand	Anodyne	AMY2	46	33
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852281896	GE	On-Demand	Reactive	SLC6A5	20	45
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852281897	GE	On-Demand	Reactive	SLC6A5	20	45
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852281905	GG	On-Demand	Reactive	PDS	42	35
Cc1ccncc1CCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC000852281926	GE	On-Demand	Reactive	IMDH_CRYPV	22	42
Cc1ccncc1CCNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC000852281927	GE	On-Demand	Reactive	IMDH_CRYPV	22	42
NS(=O)(=O)c1ccc(CCN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)cc1	ZINC000852281952	GD	On-Demand	Anodyne	CA1	41	38
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCC1CCN(C3CC3)CC1)C2	ZINC000852281974	GF	On-Demand	Anodyne	CACNA1I	42	33
C[C@H]1C[C@H](NC(=O)N[C@@H]2CCc3ccccc32)CCN1C(=O)OC(C)(C)C	ZINC000852281976	FH	On-Demand	Anodyne	XIAP	19	40
C[C@H]1C[C@H](NC(=O)N[C@@H]2CCc3ccccc32)CCN1C(=O)OC(C)(C)C	ZINC000852281976	FH	On-Demand	Anodyne	BIRC2	45	33
O[C@H](CN[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1)c1cccc(Cl)c1	ZINC000852282026	FG	On-Demand	Anodyne	CYP3A4	46	34
O[C@@H](CN[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1)c1cccc(Cl)c1	ZINC000852282027	FG	On-Demand	Anodyne	CYP3A4	46	34
O=C(NCc1ccc(Cl)cc1I)N[C@@H]1C=CCC1	ZINC000852282032	GG	On-Demand	Anodyne	P2RX7	39	40
O=C(NCc1ccc(Cl)cc1I)N[C@@H]1C=CCC1	ZINC000852282032	GG	On-Demand	Anodyne	EPHX2	17	41
O=C(NCc1ccc(Cl)cc1I)N[C@H]1C=CCC1	ZINC000852282033	GG	On-Demand	Anodyne	P2RX7	39	40
O=C(NCc1ccc(Cl)cc1I)N[C@H]1C=CCC1	ZINC000852282033	GG	On-Demand	Anodyne	EPHX2	17	41
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852282037	FF	On-Demand	Reactive	CCR3	15	45
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852282038	FF	On-Demand	Reactive	CCR3	15	45
COc1ccc2c(CN[C@@H]3CCO[C@H]3c3cnn(CC4CC4)c3)cc(=O)oc2c1	ZINC000852282068	GG	On-Demand	Anodyne	MAOB	18	40
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852282106	GD	On-Demand	Reactive	HRH3	22	43
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852282107	GD	On-Demand	Reactive	HRH3	22	43
CCO[C@@H](CNC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852282297	EE	On-Demand	Anodyne	CCR5	15	41
CCO[C@@H](CNC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852282298	EE	On-Demand	Anodyne	CCR5	15	41
CCO[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852282311	GG	On-Demand	Clean	MTNR1B	17	46
CCO[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852282312	GG	On-Demand	Clean	MTNR1B	17	46
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCc2nccnc2C1	ZINC000852282336	GD	On-Demand	Reactive	MAPK1	47	41
CC(=O)Oc1ccc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)cc1	ZINC000852282343	FF	On-Demand	Anodyne	PANC	40	31
O=C(NCc1ncccn1)NCC1CCN(C2CC2)CC1	ZINC000852282370	CD	On-Demand	Anodyne	CACNA1I	51	32
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCC(c2ccon2)CC1	ZINC000852282468	GF	On-Demand	Reactive	IL2RA	50	32
O=C(NCC1CCN(C2CC2)CC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852282490	FG	On-Demand	Anodyne	HTR4	57	40
O=C(NCC1CCN(C2CC2)CC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852282490	FG	On-Demand	Anodyne	CACNA1I	42	36
O=C(NCC1CCN(C2CC2)CC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852282491	FG	On-Demand	Anodyne	HTR4	57	40
O=C(NCC1CCN(C2CC2)CC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852282491	FG	On-Demand	Anodyne	CACNA1I	42	36
O=C(NCC1CCN(C2CC2)CC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852282492	FE	On-Demand	Anodyne	CACNA1I	55	32
O=C(NCC1CCN(C2CC2)CC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852282493	FE	On-Demand	Anodyne	CACNA1I	55	32
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852282554	GE	On-Demand	Reactive	CACNA1I	63	41
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852282555	GE	On-Demand	Reactive	CACNA1I	63	41
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCC[C@H](CC#N)C1	ZINC000852282588	FE	On-Demand	Reactive	HRH3	21	40
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCC[C@H](CC#N)C1	ZINC000852282588	FE	On-Demand	Reactive	CTSL	16	41
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852282589	FE	On-Demand	Reactive	HRH3	21	40
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852282589	FE	On-Demand	Reactive	CTSL	16	41
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCC1CCN(C2CC2)CC1	ZINC000852282602	GD	On-Demand	Reactive	CACNA1I	42	33
O=C(NCc1ncccn1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	ZINC000852282607	GF	On-Demand	Anodyne	DRD4	18	55
O=C(NCc1ncccn1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	ZINC000852282607	GF	On-Demand	Anodyne	SIGMAR1	18	40
O=C(NCc1ncccn1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	ZINC000852282607	GF	On-Demand	Anodyne	MCHR1	18	41
O=C(NCc1ncccn1)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1	ZINC000852282607	GF	On-Demand	Anodyne	PDE8B	55	32
O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)N[C@H]1C=CCC1	ZINC000852282617	FG	On-Demand	Anodyne	DRD4	23	57
O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)N[C@H]1C=CCC1	ZINC000852282617	FG	On-Demand	Anodyne	SIGMAR1	20	43
O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)N[C@@H]1C=CCC1	ZINC000852282618	FG	On-Demand	Anodyne	DRD4	23	57
O=C(NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)N[C@@H]1C=CCC1	ZINC000852282618	FG	On-Demand	Anodyne	SIGMAR1	20	43
COC[C@@H](CCNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)OC	ZINC000852282619	FD	On-Demand	Reactive	PDS	41	37
COC[C@@H](CCNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1)OC	ZINC000852282622	FD	On-Demand	Reactive	PDS	41	37
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)NCc1c(C2CC2)cnn1C	ZINC000852282624	GE	On-Demand	Reactive	IL2RA	50	32
CO[C@@H](C)CNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC000852282645	ED	On-Demand	Reactive	MTNR1A	18	46
CO[C@@H](C)CNC(=O)NNC(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC000852282645	ED	On-Demand	Reactive	MTNR1B	19	46
CO[C@@H](C)CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC000852282646	ED	On-Demand	Reactive	MTNR1A	18	46
CO[C@@H](C)CNC(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC000852282646	ED	On-Demand	Reactive	MTNR1B	19	46
O=c1cc(CN[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)c2ccc(O)cc2o1	ZINC000852282659	GF	On-Demand	Anodyne	HSD17B3	25	42
O=C(NCCCCCCO)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852282672	DD	On-Demand	Anodyne	GRIA1	42	33
O=C(NCCCCCCO)N[C@H](CO)c1ccc(F)cc1F	ZINC000852282673	DD	On-Demand	Anodyne	GRIA1	42	33
O=C(NCCCCCCO)N1CCOc2ccc(O)cc2C1	ZINC000852282713	DD	On-Demand	Anodyne	ASAH1	43	34
O[C@H](CN[C@@H]1CCO[C@H]1c1ccnn1CC1CC1)c1cccc(Cl)c1	ZINC000852282799	FG	On-Demand	Anodyne	CYP3A4	46	34
O[C@@H](CN[C@@H]1CCO[C@H]1c1ccnn1CC1CC1)c1cccc(Cl)c1	ZINC000852282800	FG	On-Demand	Anodyne	CYP3A4	46	34
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852282815	GC	On-Demand	Anodyne	Q6PRC7_IXORI	64	40
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852282817	GC	On-Demand	Anodyne	Q6PRC7_IXORI	64	40
O=C(NCCCCCCO)NC1CCC2(CC1)CC2(F)F	ZINC000852282823	DF	On-Demand	Anodyne	EPHX2	16	47
Cc1cscc1CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852282834	GI	On-Demand	Anodyne	ROCK2	17	40
O=C(NCCCCCCO)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852282851	DE	On-Demand	Anodyne	SIGMAR1	27	42
O=C(NCCCCCCO)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852282851	DE	On-Demand	Anodyne	CCR3	20	40
O=C(NCCCCCCO)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852282851	DE	On-Demand	Anodyne	EPHX2	15	40
O=C(NCCCCCCO)NC[C@H]1CCN1Cc1ccccc1	ZINC000852282852	DE	On-Demand	Anodyne	SIGMAR1	27	42
O=C(NCCCCCCO)NC[C@H]1CCN1Cc1ccccc1	ZINC000852282852	DE	On-Demand	Anodyne	CCR3	20	40
O=C(NCCCCCCO)NC[C@H]1CCN1Cc1ccccc1	ZINC000852282852	DE	On-Demand	Anodyne	EPHX2	15	40
O=C(c1ccc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)cc1)N1CCCC1	ZINC000852282860	GG	On-Demand	Anodyne	L3MBTL3	73	39
O=C(NCCCCCCO)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852282883	FF	On-Demand	Anodyne	SSTR3	34	48
O=C(NCCCCCCO)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852282883	FF	On-Demand	Anodyne	EPHX2	19	43
O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@H]1COC2(CCC2)C1	ZINC000852282914	FG	On-Demand	Bother	CCR2	24	42
O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852282915	FG	On-Demand	Bother	CCR2	24	42
O=C(CN[C@@H]1CCO[C@H]1c1ccnn1CC1CC1)Nc1cccnc1Cl	ZINC000852282925	GE	On-Demand	Anodyne	G2YM83_BOTF4	43	31
O=C(NCCCCCCO)NCC1CCN(CC2CC2)CC1	ZINC000852282931	DD	On-Demand	Anodyne	CACNA1I	49	34
COC[C@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852282958	FE	On-Demand	Anodyne	UTS2	59	43
COC[C@@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852282959	FE	On-Demand	Anodyne	UTS2	59	43
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNc1ccc(Cl)cn1	ZINC000852282970	FC	On-Demand	Reactive	HLA-DRB1	44	38
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNc1ccc(Cl)cn1	ZINC000852282972	FC	On-Demand	Reactive	HLA-DRB1	44	38
CCSC1(CNC(=O)NCCCCCCO)CC1	ZINC000852282981	CE	On-Demand	Anodyne	EPHX2	17	41
COC[C@@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(Cl)cc1	ZINC000852283031	FC	On-Demand	Reactive	UTS2	43	34
COC[C@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(Cl)cc1	ZINC000852283033	FC	On-Demand	Reactive	UTS2	43	34
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283040	EG	On-Demand	Anodyne	CACNA1I	48	34
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283040	EG	On-Demand	Anodyne	GPR119	30	41
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ncccn1	ZINC000852283042	DB	On-Demand	Anodyne	HLA-DRB1	66	36
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283043	EG	On-Demand	Anodyne	CACNA1I	48	34
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283043	EG	On-Demand	Anodyne	GPR119	30	41
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ncccn1	ZINC000852283045	DB	On-Demand	Anodyne	HLA-DRB1	66	36
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852283049	FB	On-Demand	Anodyne	Q6PRC7_IXORI	56	37
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852283052	FB	On-Demand	Anodyne	Q6PRC7_IXORI	56	37
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852283054	FB	On-Demand	Anodyne	Q6PRC7_IXORI	56	37
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852283055	FB	On-Demand	Anodyne	Q6PRC7_IXORI	56	37
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H](CO)C2CCC2)C1	ZINC000852283074	ED	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H](CO)C2CCC2)C1	ZINC000852283076	ED	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H](CO)C2CCC2)C1	ZINC000852283077	ED	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H](CO)C2CCC2)C1	ZINC000852283079	ED	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCc2ccc3occc3c2)C1	ZINC000852283109	FG	On-Demand	Anodyne	CACNA1I	66	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCc2ccc3occc3c2)C1	ZINC000852283111	FG	On-Demand	Anodyne	CACNA1I	66	37
CN(C)CC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852283129	DB	On-Demand	Reactive	HCN1	49	30
CN(C)CC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852283129	DB	On-Demand	Reactive	HCN4	47	30
O=c1cc(CN[C@@H](C2CC2)C2(CO)CCOCC2)c2ccc(O)cc2o1	ZINC000852283139	FE	On-Demand	Anodyne	HSD17B3	32	46
O=c1cc(CN[C@H](C2CC2)C2(CO)CCOCC2)c2ccc(O)cc2o1	ZINC000852283141	FE	On-Demand	Anodyne	HSD17B3	32	46
COC[C@@H](NC(=O)NCCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852283178	EE	On-Demand	Anodyne	UTS2	49	40
COC[C@H](NC(=O)NCCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852283180	EE	On-Demand	Anodyne	UTS2	49	40
O=C(NCCCCCCO)NCCC1SCCS1	ZINC000852283182	CE	On-Demand	Anodyne	EPHX2	16	49
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC(c3ccco3)CC2)C1	ZINC000852283198	GG	On-Demand	Anodyne	CACNA1I	50	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC(c3ccco3)CC2)C1	ZINC000852283199	GG	On-Demand	Anodyne	CACNA1I	50	33
COc1ccc(N2CC[C@H](NC(=O)NCC3(CN(C)C)CCCC3)C2)cc1	ZINC000852283203	FF	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(CN(C)C)CCCC3)C2)cc1	ZINC000852283203	FF	On-Demand	Clean	MTNR1B	18	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(CN(C)C)CCCC3)C2)cc1	ZINC000852283203	FF	On-Demand	Clean	EPHX2	15	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852283207	GD	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852283207	GD	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852283208	GD	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852283208	GD	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852283209	GD	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852283209	GD	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852283210	GD	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852283210	GD	On-Demand	Anodyne	GPR119	31	42
Cn1ncc(C2CC2)c1CNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283228	GE	On-Demand	Anodyne	CACNA1I	54	36
Cn1ncc(C2CC2)c1CNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283228	GE	On-Demand	Anodyne	GPR119	34	42
Cn1ncc(C2CC2)c1CNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283229	GE	On-Demand	Anodyne	CACNA1I	54	36
Cn1ncc(C2CC2)c1CNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283229	GE	On-Demand	Anodyne	GPR119	34	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852283230	GH	On-Demand	Anodyne	CACNA1I	52	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852283230	GH	On-Demand	Anodyne	GPR119	40	48
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852283231	GH	On-Demand	Anodyne	CACNA1I	52	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852283231	GH	On-Demand	Anodyne	GPR119	40	48
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852283232	GH	On-Demand	Anodyne	CACNA1I	52	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852283232	GH	On-Demand	Anodyne	GPR119	40	48
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852283233	GH	On-Demand	Anodyne	CACNA1I	52	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852283233	GH	On-Demand	Anodyne	GPR119	40	48
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852283238	GG	On-Demand	Anodyne	ACACB	15	41
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852283238	GG	On-Demand	Anodyne	CACNA1I	42	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852283238	GG	On-Demand	Anodyne	GPR119	40	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852283239	GG	On-Demand	Anodyne	ACACB	15	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852283239	GG	On-Demand	Anodyne	CACNA1I	42	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2ccnc3ccccc23)C1	ZINC000852283239	GG	On-Demand	Anodyne	GPR119	40	41
COc1cccc(OC)c1CNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283247	GF	On-Demand	Anodyne	SSTR1	43	33
COc1cccc(OC)c1CNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283247	GF	On-Demand	Anodyne	CACNA1I	63	37
COc1cccc(OC)c1CNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283247	GF	On-Demand	Anodyne	GPR119	39	43
COc1cccc(OC)c1CNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283248	GF	On-Demand	Anodyne	SSTR1	43	33
COc1cccc(OC)c1CNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283248	GF	On-Demand	Anodyne	CACNA1I	63	37
COc1cccc(OC)c1CNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283248	GF	On-Demand	Anodyne	GPR119	39	43
COCCN(CCF)C(=O)N[C@@H](COC)c1ccc(Cl)cc1	ZINC000852283276	EF	On-Demand	Anodyne	UTS2	55	40
O=C(NCCCCCCO)NC1CCC(C2CCC2)CC1	ZINC000852283279	CG	On-Demand	Anodyne	EPHX2	19	55
O=C(CN[C@@H](C1CC1)C1(CO)CCOCC1)Nc1cccnc1Cl	ZINC000852283280	FD	On-Demand	Anodyne	G2YM83_BOTF4	66	33
O=C(CN[C@H](C1CC1)C1(CO)CCOCC1)Nc1cccnc1Cl	ZINC000852283282	FD	On-Demand	Anodyne	G2YM83_BOTF4	66	33
COc1ccc2c(CN[C@@H]3CCO[C@H]3c3ccnn3CC3CC3)cc(=O)oc2c1	ZINC000852283287	GG	On-Demand	Anodyne	CYP11B1	16	40
COc1ccc2c(CN[C@@H]3CCO[C@H]3c3ccnn3CC3CC3)cc(=O)oc2c1	ZINC000852283287	GG	On-Demand	Anodyne	MAOB	25	42
CCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1	ZINC000852283315	FF	On-Demand	Clean	MTNR1A	19	46
CCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1	ZINC000852283315	FF	On-Demand	Clean	MTNR1B	21	46
CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1	ZINC000852283317	FF	On-Demand	Clean	MTNR1A	19	46
CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1	ZINC000852283317	FF	On-Demand	Clean	MTNR1B	21	46
COc1ccc([C@@H]2CCCN2C(=O)NCCCCCCO)cc1F	ZINC000852283320	EG	On-Demand	Anodyne	ADRA1A	46	39
COc1ccc([C@@H]2CCCN2C(=O)NCCCCCCO)cc1F	ZINC000852283320	EG	On-Demand	Anodyne	ASAH1	58	34
COC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000852283329	FF	On-Demand	Anodyne	MAPK1	26	41
COC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000852283329	FF	On-Demand	Anodyne	EPHX2	25	42
COC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000852283330	FF	On-Demand	Anodyne	MAPK1	26	41
COC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000852283330	FF	On-Demand	Anodyne	EPHX2	25	42
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCCCCCCO	ZINC000852283349	FG	On-Demand	Anodyne	MDM2	48	32
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852283356	FC	On-Demand	Anodyne	Q6PRC7_IXORI	41	39
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852283357	FC	On-Demand	Anodyne	Q6PRC7_IXORI	41	39
COC[C@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(Cl)cc1	ZINC000852283372	FF	On-Demand	Anodyne	MAPK1	37	45
COC[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(Cl)cc1	ZINC000852283373	FF	On-Demand	Anodyne	MAPK1	37	45
O=C(NCCCCCCO)N1CC[C@@H]2C[C@H]2C1	ZINC000852283403	BD	On-Demand	Anodyne	ASAH1	57	35
O=C(NCCCCCCO)N1CC[C@H]2C[C@@H]2C1	ZINC000852283405	BD	On-Demand	Anodyne	ASAH1	57	35
O=C(NCCCCCCO)N1CC[C@H]2C[C@H]2C1	ZINC000852283407	BD	On-Demand	Anodyne	ASAH1	57	35
O=C(NCCCCCCO)N1CC[C@@H]2C[C@@H]2C1	ZINC000852283409	BD	On-Demand	Anodyne	ASAH1	57	35
NS(=O)(=O)c1cc(CNC(=O)NCCCCCCO)ccc1F	ZINC000852283411	EC	On-Demand	Anodyne	CA2	27	44
NS(=O)(=O)c1cc(CNC(=O)NCCCCCCO)ccc1F	ZINC000852283411	EC	On-Demand	Anodyne	CA1	23	44
NS(=O)(=O)c1cc(CNC(=O)NCCCCCCO)ccc1F	ZINC000852283411	EC	On-Demand	Anodyne	CA7	15	41
NS(=O)(=O)c1cc(CNC(=O)NCCCCCCO)ccc1F	ZINC000852283411	EC	On-Demand	Anodyne	CA4	19	44
NS(=O)(=O)c1cc(CNC(=O)NCCCCCCO)ccc1F	ZINC000852283411	EC	On-Demand	Anodyne	CA5A	17	44
NS(=O)(=O)c1cc(CNC(=O)NCCCCCCO)ccc1F	ZINC000852283411	EC	On-Demand	Anodyne	CA12	18	44
COC[C@H](NC(=O)N[C@H]1C=CCC1)c1ccc(Cl)cc1	ZINC000852283416	CG	On-Demand	Anodyne	UTS2	43	35
COC[C@H](NC(=O)N[C@@H]1C=CCC1)c1ccc(Cl)cc1	ZINC000852283417	CG	On-Demand	Anodyne	UTS2	43	35
COC[C@@H](NC(=O)N[C@H]1C=CCC1)c1ccc(Cl)cc1	ZINC000852283418	CG	On-Demand	Anodyne	UTS2	43	35
COC[C@@H](NC(=O)N[C@@H]1C=CCC1)c1ccc(Cl)cc1	ZINC000852283419	CG	On-Demand	Anodyne	UTS2	43	35
O=C(NCCCCCCO)NCC1SCCS1	ZINC000852283430	CD	On-Demand	Anodyne	EPHX2	23	53
COc1ccc(N2CC[C@H](NC(=O)NCc3cscc3C)C2)cc1	ZINC000852283434	EG	On-Demand	Clean	NPBWR1	55	31
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852283441	FB	On-Demand	Anodyne	Q6PRC7_IXORI	70	41
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852283442	FB	On-Demand	Anodyne	Q6PRC7_IXORI	70	41
O=C(NCCCCCCO)N1CC[C@H]1c1ccc(Br)cc1	ZINC000852283470	FG	On-Demand	Anodyne	ASAH1	44	32
O=C(NCCCCCCO)N1CC[C@@H]1c1ccc(Br)cc1	ZINC000852283471	FG	On-Demand	Anodyne	ASAH1	44	32
O=C(c1ccc(CN[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)cc1)N1CCCC1	ZINC000852283472	GG	On-Demand	Anodyne	L3MBTL3	55	35
O=C(NCCCCCCO)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852283480	EG	On-Demand	Anodyne	SCD1	19	44
O=C(NCCCCCCO)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852283480	EG	On-Demand	Anodyne	SCD	30	44
O=C(NCCCCCCO)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852283480	EG	On-Demand	Anodyne	TRPM8	24	53
O=C(NCCCCCCO)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852283481	EF	On-Demand	Anodyne	ADRB1	31	48
O=C(NCCCCCCO)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852283481	EF	On-Demand	Anodyne	ADRB3	33	41
O=C(NCCCCCCO)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852283482	EF	On-Demand	Anodyne	ADRB1	31	48
O=C(NCCCCCCO)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852283482	EF	On-Demand	Anodyne	ADRB3	33	41
COC[C@@H](NC(=O)NCc1ncccn1)c1ccc(Cl)cc1	ZINC000852283499	DE	On-Demand	Anodyne	UTS2	44	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCO[C@H](CC(F)(F)F)C2)C1	ZINC000852283502	GF	On-Demand	Anodyne	CACNA1I	42	33
COC[C@H](NC(=O)NCc1ncccn1)c1ccc(Cl)cc1	ZINC000852283503	DE	On-Demand	Anodyne	UTS2	44	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)C1	ZINC000852283505	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCO[C@H](CC(F)(F)F)C2)C1	ZINC000852283507	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)C1	ZINC000852283509	GF	On-Demand	Anodyne	CACNA1I	42	33
Cc1ccc2c(c1Br)CN(C(=O)NCCCCCCO)C2	ZINC000852283515	FG	On-Demand	Anodyne	ASAH1	41	32
COC1CC(CCNC(=O)NCCCCCCO)C1	ZINC000852283533	CD	On-Demand	Anodyne	EPHX2	24	47
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCCCCCCO)CCC2	ZINC000852283534	FF	On-Demand	Anodyne	NQO2	22	42
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCCCCCCO)CCC2	ZINC000852283535	FF	On-Demand	Anodyne	NQO2	22	42
COc1cccc([C@]2(C)CCN(C(=O)NCCCCCCO)C2)c1	ZINC000852283538	EF	On-Demand	Anodyne	DRD4	44	34
COc1cccc([C@]2(C)CCN(C(=O)NCCCCCCO)C2)c1	ZINC000852283538	EF	On-Demand	Anodyne	MTNR1A	51	40
COc1cccc([C@]2(C)CCN(C(=O)NCCCCCCO)C2)c1	ZINC000852283538	EF	On-Demand	Anodyne	MTNR1B	51	40
CC(C)c1ccc2c(c1)CN(C(=O)NCCCCCCO)CC2	ZINC000852283539	DG	On-Demand	Anodyne	MAPK1	47	35
Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)s1	ZINC000852283548	EH	On-Demand	Anodyne	SIGMAR1	23	40
Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)s1	ZINC000852283550	EH	On-Demand	Anodyne	SIGMAR1	23	40
O=C(NCCCCCCO)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852283575	EH	On-Demand	Anodyne	PNMT	15	49
C[C@H]1c2ccccc2OCCN1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283594	GG	On-Demand	Anodyne	GPR119	33	43
C[C@H]1c2ccccc2OCCN1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852283596	GG	On-Demand	Anodyne	GPR119	33	43
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852283647	FB	On-Demand	Reactive	PAPA1_CARPA	40	34
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852283647	FB	On-Demand	Reactive	HLA-DRB1	55	34
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852283649	FB	On-Demand	Reactive	PAPA1_CARPA	40	34
CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852283649	FB	On-Demand	Reactive	HLA-DRB1	55	34
C[C@H]1c2ccccc2OCCN1C(=O)NCCCCCCO	ZINC000852283686	DF	On-Demand	Anodyne	ASAH1	44	34
COC(=O)c1ccc(CNC(=O)NCCCCCCO)c(F)c1	ZINC000852283695	ED	On-Demand	Anodyne	BDKRB1	25	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCCCCCO	ZINC000852283741	DE	On-Demand	Anodyne	DRD2	20	40
CN(Cc1cnc[nH]1)C[C@@H](O)c1cc(F)ccc1F	ZINC000852283760	CD	On-Demand	Anodyne	TAAR1	26	41
CN(Cc1cnc[nH]1)C[C@H](O)c1cc(F)ccc1F	ZINC000852283761	CD	On-Demand	Anodyne	TAAR1	26	41
C#C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCOCC1	ZINC000852283816	GF	On-Demand	Mild	CCR2	29	41
C#C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCOCC1	ZINC000852283817	GF	On-Demand	Mild	CCR2	29	41
COC(=O)c1nc(CNC(=O)NCc2ccc(C)n(C)c2=O)ccc1Cl	ZINC000852283827	GD	On-Demand	Anodyne	P2RX7	59	39
CN(Cc1cnc[nH]1)C[C@@H](O)c1c(F)cccc1F	ZINC000852283835	CD	On-Demand	Anodyne	TAAR1	27	42
CN(Cc1cnc[nH]1)C[C@H](O)c1c(F)cccc1F	ZINC000852283836	CD	On-Demand	Anodyne	TAAR1	27	42
O=C(NCCCCCCO)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852283846	DE	On-Demand	Anodyne	EPHX2	44	42
CN(Cc1ccc(S(=O)(=O)C(F)F)cc1)Cc1cnc[nH]1	ZINC000852283866	DE	On-Demand	Anodyne	TAAR1	26	41
Cc1ccc(NC(=O)CON=Cc2ccccc2OC(C)C)cc1S(=O)(=O)N1CCOCC1	ZINC000852283867	JF	On-Demand	Mild	NR1H4	21	47
CC(=O)c1ccc(N2CCN(C(=O)CN(C)Cc3cnc[nH]3)CC2)c(F)c1	ZINC000852283888	FD	On-Demand	Anodyne	SLC6A9	17	42
O=C(c1ccc(CN[C@@H](C2CC2)C2(CO)CCOCC2)cc1)N1CCCC1	ZINC000852283893	FF	On-Demand	Anodyne	L3MBTL3	71	37
O=C(c1ccc(CN[C@H](C2CC2)C2(CO)CCOCC2)cc1)N1CCCC1	ZINC000852283894	FF	On-Demand	Anodyne	L3MBTL3	71	37
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCCCCCCO)C2	ZINC000852283906	FE	On-Demand	Anodyne	EPHX2	20	42
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NCCCCCCO	ZINC000852283947	DD	On-Demand	Anodyne	EPHX2	15	40
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NCCCCCCO	ZINC000852283948	DD	On-Demand	Anodyne	EPHX2	15	40
O=C(CN[C@@H]1CCO[C@H]1c1ccnn1CC1CC1)Nc1ccc2ccccc2c1	ZINC000852283959	GH	On-Demand	Anodyne	IMDH_CRYPV	21	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2noc3ccccc23)C1	ZINC000852283964	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2noc3ccccc23)C1	ZINC000852283965	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1	ZINC000852283984	GF	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)C1	ZINC000852283985	GF	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)C1	ZINC000852283986	GF	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)C1	ZINC000852283987	GF	On-Demand	Anodyne	CACNA1I	40	32
CN(Cc1cnc[nH]1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000852284030	DC	On-Demand	Anodyne	TAAR1	25	40
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000852284031	DC	On-Demand	Anodyne	TAAR1	25	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H](CC#N)C2)C1	ZINC000852284032	FF	On-Demand	Mild	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC000852284034	FF	On-Demand	Mild	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@H](CC#N)C2)C1	ZINC000852284035	FF	On-Demand	Mild	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@@H](CC#N)C2)C1	ZINC000852284036	FF	On-Demand	Mild	CACNA1I	46	33
CCCS(=O)(=O)CCN(C)Cc1cnc[nH]1	ZINC000852284064	BC	On-Demand	Anodyne	TAAR1	27	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCO[C@H]2CC2(F)F)C1	ZINC000852284072	FD	On-Demand	Anodyne	CACNA1I	48	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCO[C@@H]2CC2(F)F)C1	ZINC000852284073	FD	On-Demand	Anodyne	CACNA1I	48	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCO[C@H]2CC2(F)F)C1	ZINC000852284075	FD	On-Demand	Anodyne	CACNA1I	48	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCO[C@@H]2CC2(F)F)C1	ZINC000852284078	FD	On-Demand	Anodyne	CACNA1I	48	33
Cn1nnc(CNC(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)n1	ZINC000852284098	GC	On-Demand	Anodyne	TPP2	49	30
Cn1nnc(CNC(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)n1	ZINC000852284100	GC	On-Demand	Anodyne	TPP2	49	30
O=C1CCC2=C(CCN(C(=O)NCc3nc(-c4ccccc4F)cs3)C2)N1	ZINC000852284270	GG	On-Demand	Anodyne	GABRA3	52	37
C[C@@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1	ZINC000852284279	FF	On-Demand	Anodyne	CACNA1I	58	34
C[C@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1	ZINC000852284282	FF	On-Demand	Anodyne	CACNA1I	58	34
C[C@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1	ZINC000852284285	FF	On-Demand	Anodyne	CACNA1I	58	34
C[C@@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1	ZINC000852284287	FF	On-Demand	Anodyne	CACNA1I	58	34
O=C1[C@@H](N[C@@H](C2CC2)C2(CO)CCOCC2)CCCN1Cc1ccccc1	ZINC000852284311	FE	On-Demand	Anodyne	ACE	18	40
O=C1[C@H](N[C@@H](C2CC2)C2(CO)CCOCC2)CCCN1Cc1ccccc1	ZINC000852284315	FE	On-Demand	Anodyne	ACE	18	40
O=C1[C@@H](N[C@H](C2CC2)C2(CO)CCOCC2)CCCN1Cc1ccccc1	ZINC000852284318	FE	On-Demand	Anodyne	ACE	18	40
O=C1[C@H](N[C@H](C2CC2)C2(CO)CCOCC2)CCCN1Cc1ccccc1	ZINC000852284321	FE	On-Demand	Anodyne	ACE	18	40
CN(Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852284338	ED	On-Demand	Anodyne	CACNA1I	41	32
CN(Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852284341	ED	On-Demand	Anodyne	CACNA1I	41	32
CC(=O)Nc1cccc(NC(=O)CON=Cc2ccccc2OC(C)C)c1	ZINC000852284349	FG	On-Demand	Mild	KCNK3	108	45
CC(=O)Nc1cccc(NC(=O)CON=Cc2ccccc2OC(C)C)c1	ZINC000852284349	FG	On-Demand	Mild	KCNK9	79	43
CN(Cc1cnc[nH]1)C[C@@H](O)c1cccc(F)c1	ZINC000852284424	BD	On-Demand	Anodyne	TAAR1	27	42
CN(Cc1cnc[nH]1)C[C@H](O)c1cccc(F)c1	ZINC000852284425	BD	On-Demand	Anodyne	TAAR1	27	42
CN(Cc1cnc[nH]1)CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852284426	DE	On-Demand	Anodyne	GPR119	47	42
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccccc1F	ZINC000852284447	BD	On-Demand	Anodyne	TAAR1	26	44
CN(Cc1cnc[nH]1)C[C@H](O)c1ccccc1F	ZINC000852284448	BD	On-Demand	Anodyne	TAAR1	26	44
C=C(Cl)CN(C)Cc1cnc[nH]1	ZINC000852284456	AD	On-Demand	Mild	TAAR1	26	41
CSc1ccc2cc(CN(C)Cc3cnc[nH]3)c(Cl)nc2c1	ZINC000852284479	EH	On-Demand	Anodyne	TAAR1	26	40
C=CCCNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852284494	CE	On-Demand	Mild	CACNA1I	43	34
C=CCCNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852284496	CE	On-Demand	Mild	CACNA1I	43	34
CN(C)CC1(CNC(=O)NNc2ccc(Cl)cn2)CCCC1	ZINC000852284529	EE	On-Demand	Reactive	F10	38	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852284530	FE	On-Demand	Anodyne	CACNA1I	48	36
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852284531	FE	On-Demand	Anodyne	CACNA1I	48	36
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852284532	FE	On-Demand	Anodyne	CACNA1I	48	36
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852284534	FE	On-Demand	Anodyne	CACNA1I	48	36
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccc(F)c(F)c1	ZINC000852284535	CD	On-Demand	Anodyne	TAAR1	26	42
CN(Cc1cnc[nH]1)C[C@H](O)c1ccc(F)c(F)c1	ZINC000852284537	CD	On-Demand	Anodyne	TAAR1	26	42
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)Cc3cnc[nH]3)C2=O)c1	ZINC000852284554	GC	On-Demand	Anodyne	TAAR1	18	43
COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(C)Cc3cnc[nH]3)C2=O)c1	ZINC000852284556	GC	On-Demand	Anodyne	TAAR1	18	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCCCC3)C2)cc1	ZINC000852284593	FF	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCCCC3)C2)cc1	ZINC000852284593	FF	On-Demand	Clean	MTNR1B	19	45
COc1ccc(OC)c([C@H](O)CN(C)Cc2cnc[nH]2)c1	ZINC000852284618	CD	On-Demand	Anodyne	TAAR1	26	47
Cc1cc(C)cc(NC(=O)CON=Cc2ccccc2OC(C)C)c1	ZINC000852284636	EI	On-Demand	Mild	KCNK9	43	35
CC(=O)CCN(C)Cc1cnc[nH]1	ZINC000852284646	AC	On-Demand	Anodyne	TAAR1	26	41
O=S(=O)(CCN[C@@H](C1CC1)C1(CO)CCOCC1)c1ccc(Cl)cc1	ZINC000852284647	GE	On-Demand	Anodyne	PSEN2	51	32
O=S(=O)(CCN[C@@H](C1CC1)C1(CO)CCOCC1)c1ccc(Cl)cc1	ZINC000852284647	GE	On-Demand	Anodyne	MMP2	18	41
O=S(=O)(CCN[C@@H](C1CC1)C1(CO)CCOCC1)c1ccc(Cl)cc1	ZINC000852284647	GE	On-Demand	Anodyne	PSEN1	40	30
O=S(=O)(CCN[C@H](C1CC1)C1(CO)CCOCC1)c1ccc(Cl)cc1	ZINC000852284648	GE	On-Demand	Anodyne	PSEN2	51	32
O=S(=O)(CCN[C@H](C1CC1)C1(CO)CCOCC1)c1ccc(Cl)cc1	ZINC000852284648	GE	On-Demand	Anodyne	MMP2	18	41
O=S(=O)(CCN[C@H](C1CC1)C1(CO)CCOCC1)c1ccc(Cl)cc1	ZINC000852284648	GE	On-Demand	Anodyne	PSEN1	40	30
CN(Cc1cnc[nH]1)Cc1cccnc1Cl	ZINC000852284653	BE	On-Demand	Anodyne	TAAR1	27	42
CN(Cc1cnc[nH]1)Cc1ccc(S(=O)(=O)N(C)C)o1	ZINC000852284676	CC	On-Demand	Anodyne	TAAR1	25	40
Cc1ccc(NC(=O)CON=Cc2ccccc2OC(C)C)cc1S(=O)(=O)N1CCCCC1	ZINC000852284677	JH	On-Demand	Mild	LPL	45	36
CN(C/C=C\Cl)Cc1cnc[nH]1	ZINC000852284678	AD	On-Demand	Anodyne	TAAR1	27	42
CN(C/C=C/Cl)Cc1cnc[nH]1	ZINC000852284679	AD	On-Demand	Anodyne	TAAR1	27	42
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCCC2CCC2)C1	ZINC000852284771	EG	On-Demand	Anodyne	CACNA1I	46	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCCC2CCC2)C1	ZINC000852284771	EG	On-Demand	Anodyne	GPR119	26	45
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCCC2CCC2)C1	ZINC000852284773	EG	On-Demand	Anodyne	CACNA1I	46	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCCC2CCC2)C1	ZINC000852284773	EG	On-Demand	Anodyne	GPR119	26	45
Cc1nn(-c2ccccc2)c(Cl)c1CN(C)Cc1cnc[nH]1	ZINC000852284807	DG	On-Demand	Anodyne	TAAR1	26	41
CN(Cc1cnc[nH]1)C[Si](C)(C)C	ZINC000852284813	AD	On-Demand	Anodyne	TAAR1	27	44
C=C(Br)CN(C)Cc1cnc[nH]1	ZINC000852284830	BD	On-Demand	Mild	TAAR1	25	40
CCOC(=O)C1=C(CN(C)Cc2cnc[nH]2)NC(=O)N[C@H]1c1ccccc1	ZINC000852284835	FD	On-Demand	Anodyne	SLC27A4	73	34
CCOC(=O)C1=C(CN(C)Cc2cnc[nH]2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852284854	FD	On-Demand	Anodyne	SLC27A4	73	34
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccccc1	ZINC000852284858	BD	On-Demand	Anodyne	AOC3	21	46
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccccc1	ZINC000852284858	BD	On-Demand	Anodyne	TAAR1	28	51
CN(Cc1cnc[nH]1)C[C@H](O)c1ccccc1	ZINC000852284859	BD	On-Demand	Anodyne	AOC3	21	46
CN(Cc1cnc[nH]1)C[C@H](O)c1ccccc1	ZINC000852284859	BD	On-Demand	Anodyne	TAAR1	28	51
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccccc1C(F)(F)F	ZINC000852284928	CF	On-Demand	Anodyne	TAAR1	24	42
CN(Cc1cnc[nH]1)C[C@H](O)c1ccccc1C(F)(F)F	ZINC000852284930	CF	On-Demand	Anodyne	TAAR1	24	42
Cc1cc(C(=O)CN(C)Cc2cnc[nH]2)c(C)n1[C@@H](C)c1ccccc1	ZINC000852284932	FH	On-Demand	Anodyne	TAAR1	24	41
Cc1cc(C(=O)CN(C)Cc2cnc[nH]2)c(C)n1[C@H](C)c1ccccc1	ZINC000852284937	FH	On-Demand	Anodyne	TAAR1	24	41
COc1ccc2c(CN[C@@H](C3CC3)C3(CO)CCOCC3)cc(=O)oc2c1	ZINC000852284938	FE	On-Demand	Anodyne	MAOB	21	43
COc1ccc2c(CN[C@H](C3CC3)C3(CO)CCOCC3)cc(=O)oc2c1	ZINC000852284940	FE	On-Demand	Anodyne	MAOB	21	43
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852284944	FF	On-Demand	Mild	CACNA1I	47	38
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852284944	FF	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852284944	FF	On-Demand	Mild	GPR119	39	47
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852284945	FF	On-Demand	Mild	CACNA1I	47	38
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852284945	FF	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852284945	FF	On-Demand	Mild	GPR119	39	47
CCOC(=O)C1=C(CN(C)Cc2cnc[nH]2)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000852284957	GD	On-Demand	Anodyne	SLC27A4	74	35
CCOC(=O)C1=C(CN(C)Cc2cnc[nH]2)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000852284960	GD	On-Demand	Anodyne	SLC27A4	74	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H]2COC(C)(C)C2)C1	ZINC000852285025	EE	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2COC(C)(C)C2)C1	ZINC000852285026	EE	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H]2COC(C)(C)C2)C1	ZINC000852285027	EE	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2COC(C)(C)C2)C1	ZINC000852285028	EE	On-Demand	Anodyne	CACNA1I	40	32
Cc1ccncc1CCNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285052	FE	On-Demand	Anodyne	CACNA1I	46	35
Cc1ccncc1CCNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285052	FE	On-Demand	Anodyne	GPR119	40	43
Cc1ccncc1CCNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285053	FE	On-Demand	Anodyne	CACNA1I	46	35
Cc1ccncc1CCNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285053	FE	On-Demand	Anodyne	GPR119	40	43
Cc1ccc(NC(=O)CON=Cc2ccccc2OC(C)C)cc1C	ZINC000852285054	EI	On-Demand	Mild	KCNK3	42	36
Cc1ccc(NC(=O)CON=Cc2ccccc2OC(C)C)cc1C	ZINC000852285054	EI	On-Demand	Mild	KCNK9	49	36
CN(Cc1cnc[nH]1)Cc1c(F)c(F)c(F)c(F)c1F	ZINC000852285067	CF	On-Demand	Anodyne	TAAR1	26	41
C#CCNC(=O)[C@@H](C)N(C)Cc1cnc[nH]1	ZINC000852285076	BB	On-Demand	Mild	TAAR1	25	41
C#CCNC(=O)[C@H](C)N(C)Cc1cnc[nH]1	ZINC000852285077	BB	On-Demand	Mild	TAAR1	25	41
CN(Cc1cnc[nH]1)C[C@H]1CC1(Cl)Cl	ZINC000852285078	BE	On-Demand	Anodyne	TAAR1	25	40
CN(Cc1cnc[nH]1)C[C@@H]1CC1(Cl)Cl	ZINC000852285079	BE	On-Demand	Anodyne	TAAR1	25	40
C[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285105	FG	On-Demand	Anodyne	CACNA1I	43	34
C[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285105	FG	On-Demand	Anodyne	GPR119	33	40
C[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285106	FG	On-Demand	Anodyne	CACNA1I	43	34
C[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285106	FG	On-Demand	Anodyne	GPR119	33	40
Cc1cccc(C(=O)NNC(=O)CN[C@H](C2CC2)C2(CO)CCOCC2)c1	ZINC000852285107	GC	On-Demand	Reactive	KCNK3	49	36
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C2CC2)C2(CO)CCOCC2)c1	ZINC000852285108	GC	On-Demand	Reactive	KCNK3	49	36
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1	ZINC000852285145	FE	On-Demand	Anodyne	CACNA1I	46	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C(C)(C)C)C1	ZINC000852285146	FE	On-Demand	Anodyne	CACNA1I	46	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1	ZINC000852285147	FE	On-Demand	Anodyne	CACNA1I	46	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@H]2CCN2C(C)(C)C)C1	ZINC000852285148	FE	On-Demand	Anodyne	CACNA1I	46	35
COC1CC(CCNC(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852285160	FE	On-Demand	Anodyne	CACNA1I	41	33
COC1CC(CCNC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852285161	FE	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCC[C@]2(C)CC2(F)F)C1	ZINC000852285212	FF	On-Demand	Anodyne	CACNA1I	49	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCC[C@@]2(C)CC2(F)F)C1	ZINC000852285213	FF	On-Demand	Anodyne	CACNA1I	49	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCC[C@]2(C)CC2(F)F)C1	ZINC000852285214	FF	On-Demand	Anodyne	CACNA1I	49	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCC[C@@]2(C)CC2(F)F)C1	ZINC000852285215	FF	On-Demand	Anodyne	CACNA1I	49	34
C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852285240	FG	On-Demand	Mild	CACNA1I	46	33
C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852285241	FG	On-Demand	Mild	CACNA1I	46	33
C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852285242	FG	On-Demand	Mild	CACNA1I	46	33
C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852285243	FG	On-Demand	Mild	CACNA1I	46	33
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	CA2	62	43
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	CA1	60	43
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	CA7	34	40
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	CA5B	34	40
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	CA4	42	43
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	CA5A	33	40
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	CA12	40	41
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	CA9	49	41
NS(=O)(=O)c1ccc(CCN[C@@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285290	FD	On-Demand	Anodyne	NCE103	15	40
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	CA2	62	43
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	CA1	60	43
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	CA7	34	40
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	CA5B	34	40
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	CA4	42	43
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	CA5A	33	40
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	CA12	40	41
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	CA9	49	41
NS(=O)(=O)c1ccc(CCN[C@H](C2CC2)C2(CO)CCOCC2)cc1	ZINC000852285291	FD	On-Demand	Anodyne	NCE103	15	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852285292	GD	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852285292	GD	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852285293	GD	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852285293	GD	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852285294	GD	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852285294	GD	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852285295	GD	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852285295	GD	On-Demand	Anodyne	GPR119	29	41
COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CCOCC3)C2)cc1	ZINC000852285302	GE	On-Demand	Clean	MTNR1A	16	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CCOCC3)C2)cc1	ZINC000852285302	GE	On-Demand	Clean	MTNR1B	15	43
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC(C3CCC3)CC2)C1	ZINC000852285337	FG	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC(C3CCC3)CC2)C1	ZINC000852285337	FG	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC(C3CCC3)CC2)C1	ZINC000852285338	FG	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC(C3CCC3)CC2)C1	ZINC000852285338	FG	On-Demand	Anodyne	GPR119	31	42
CC[C@@H](C)CCNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285385	EF	On-Demand	Anodyne	CACNA1I	47	34
CC[C@@H](C)CCNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285385	EF	On-Demand	Anodyne	GPR119	24	40
CC[C@@H](C)CCNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285387	EF	On-Demand	Anodyne	CACNA1I	47	34
CC[C@@H](C)CCNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285387	EF	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852285395	DE	On-Demand	Anodyne	CACNA1I	47	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852285396	DE	On-Demand	Anodyne	CACNA1I	47	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)C1	ZINC000852285397	DE	On-Demand	Anodyne	CACNA1I	47	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)C1	ZINC000852285398	DE	On-Demand	Anodyne	CACNA1I	47	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852285399	FG	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852285399	FG	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852285400	FG	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852285400	FG	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852285401	FG	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@H](CCF)C2)C1	ZINC000852285401	FG	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852285402	FG	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@@H](CCF)C2)C1	ZINC000852285402	FG	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2CCNC2=O)C1	ZINC000852285408	EC	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2CCNC2=O)C1	ZINC000852285408	EC	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H]2CCNC2=O)C1	ZINC000852285409	EC	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H]2CCNC2=O)C1	ZINC000852285409	EC	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H]2CCNC2=O)C1	ZINC000852285410	EC	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H]2CCNC2=O)C1	ZINC000852285410	EC	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2CCNC2=O)C1	ZINC000852285411	EC	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2CCNC2=O)C1	ZINC000852285411	EC	On-Demand	Anodyne	GPR119	30	40
O=C(NCCCCCCO)N[C@H]1COC2(CCC2)C1	ZINC000852285422	CD	On-Demand	Anodyne	EPHX2	15	45
O=C(NCCCCCCO)N[C@@H]1COC2(CCC2)C1	ZINC000852285423	CD	On-Demand	Anodyne	EPHX2	15	45
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852285428	GF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCC2SCCS2)C1	ZINC000852285429	GF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCC2=CCCC2)C1	ZINC000852285431	DF	On-Demand	Anodyne	CACNA1I	55	36
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCC2=CCCC2)C1	ZINC000852285432	DF	On-Demand	Anodyne	CACNA1I	55	36
Cc1ccc([C@H](C)NC(=O)NCCc2ccnc3ccccc23)s1	ZINC000852285435	EI	On-Demand	Anodyne	MTNR1A	17	41
C[C@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852285444	FG	On-Demand	Anodyne	CACNA1I	45	32
C[C@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852285444	FG	On-Demand	Anodyne	GPR119	22	41
C[C@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852285445	FG	On-Demand	Anodyne	CACNA1I	45	32
C[C@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852285445	FG	On-Demand	Anodyne	GPR119	22	41
C[C@@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852285446	FG	On-Demand	Anodyne	CACNA1I	45	32
C[C@@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852285446	FG	On-Demand	Anodyne	GPR119	22	41
C[C@@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852285447	FG	On-Demand	Anodyne	CACNA1I	45	32
C[C@@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(F)CC1	ZINC000852285447	FG	On-Demand	Anodyne	GPR119	22	41
Cn1ncc(C2CCC2)c1CNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285454	GF	On-Demand	Anodyne	CACNA1I	53	35
Cn1ncc(C2CCC2)c1CNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285455	GF	On-Demand	Anodyne	CACNA1I	53	35
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285456	GG	On-Demand	Anodyne	EPHX2	20	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285456	GG	On-Demand	Anodyne	CACNA1I	42	33
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285457	GG	On-Demand	Anodyne	EPHX2	20	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285457	GG	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCC(F)(F)C(C)(C)C)C1	ZINC000852285458	FG	On-Demand	Anodyne	CACNA1I	54	36
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCC(F)(F)C(C)(C)C)C1	ZINC000852285459	FG	On-Demand	Anodyne	CACNA1I	54	36
O=C(NCCCCCCO)NCCO[C@H]1CC1(F)F	ZINC000852285466	CD	On-Demand	Anodyne	EPHX2	23	48
O=C(NCCCCCCO)NCCO[C@@H]1CC1(F)F	ZINC000852285467	CD	On-Demand	Anodyne	EPHX2	23	48
O=C(NCCCCCCO)NCc1cccnc1N1CCCC1	ZINC000852285469	DE	On-Demand	Anodyne	SCN2A	19	46
O=C(NCCCCCCO)NCc1cccnc1N1CCCC1	ZINC000852285469	DE	On-Demand	Anodyne	SCN10A	21	48
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC([C@@H]3CCCCO3)CC2)C1	ZINC000852285477	GG	On-Demand	Anodyne	CACNA1I	41	32
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC([C@H]3CCCCO3)CC2)C1	ZINC000852285478	GG	On-Demand	Anodyne	CACNA1I	41	32
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC([C@H]3CCCCO3)CC2)C1	ZINC000852285479	GG	On-Demand	Anodyne	CACNA1I	41	32
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC([C@@H]3CCCCO3)CC2)C1	ZINC000852285480	GG	On-Demand	Anodyne	CACNA1I	41	32
CC[C@@H](C)CCNC(=O)NCCCCCCO	ZINC000852285483	BE	On-Demand	Anodyne	EPHX2	17	40
CN(CC1=CCSC1)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285523	FF	On-Demand	Anodyne	CACNA1I	51	35
CN(CC1=CCSC1)C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285524	FF	On-Demand	Anodyne	CACNA1I	51	35
CN(Cc1cn(C)nn1)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285553	FD	On-Demand	Anodyne	CACNA1I	46	33
CN(Cc1cn(C)nn1)C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285554	FD	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCCc2ccco2)C1	ZINC000852285576	FF	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCCc2ccco2)C1	ZINC000852285576	FF	On-Demand	Anodyne	GPR119	29	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCCc2ccco2)C1	ZINC000852285577	FF	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCCc2ccco2)C1	ZINC000852285577	FF	On-Demand	Anodyne	GPR119	29	40
C=CCOCCCNC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285607	EE	On-Demand	Mild	CACNA1I	41	32
C=CCOCCCNC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285608	EE	On-Demand	Mild	CACNA1I	41	32
Cc1ccc([C@H](C)NC(=O)NCc2cccnc2N2CCCC2)s1	ZINC000852285624	EH	On-Demand	Anodyne	SCN2A	17	42
Cc1ccc([C@H](C)NC(=O)NCc2cccnc2N2CCCC2)s1	ZINC000852285624	EH	On-Demand	Anodyne	SCN10A	18	42
O=C(NCCCCCCO)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852285632	EG	On-Demand	Anodyne	KCNH2	44	42
O=C(NCCCCCCO)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852285632	EG	On-Demand	Anodyne	EPHX2	19	44
O=C(NCCCCCCO)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852285632	EG	On-Demand	Anodyne	GLRA1	41	31
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285633	EG	On-Demand	Mild	CACNA1I	47	34
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285634	EG	On-Demand	Mild	CACNA1I	47	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C3)C2)C1	ZINC000852285663	EF	On-Demand	Anodyne	CACNA1I	46	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2C[C@H]3CC[C@@H](C3)C2)C1	ZINC000852285664	EF	On-Demand	Anodyne	CACNA1I	46	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852285673	GF	On-Demand	Anodyne	CACNA1I	72	41
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCC2CCN(CC3CC3)CC2)C1	ZINC000852285674	GF	On-Demand	Anodyne	CACNA1I	72	41
O=C(NCCCCCCO)NCc1cccc(OC2CC2)c1F	ZINC000852285677	DF	On-Demand	Anodyne	CCR3	17	41
CN(C[C@@H]1CCc2ccccc21)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285684	GH	On-Demand	Anodyne	CACNA1I	49	33
CN(C[C@@H]1CCc2ccccc21)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285684	GH	On-Demand	Anodyne	GPR119	31	40
CN(C[C@@H]1CCc2ccccc21)C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285687	GH	On-Demand	Anodyne	CACNA1I	49	33
CN(C[C@@H]1CCc2ccccc21)C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285687	GH	On-Demand	Anodyne	GPR119	31	40
O=C(NCCCCCCO)N1CC[C@H]1c1ccc(F)cc1	ZINC000852285700	CF	On-Demand	Anodyne	ASAH1	86	36
O=C(NCCCCCCO)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852285701	CF	On-Demand	Anodyne	ASAH1	86	36
Cn1cc(CCNC(=O)NCCCCCCO)c2ccccc21	ZINC000852285706	DF	On-Demand	Anodyne	MTNR1A	22	45
Cn1cc(CCNC(=O)NCCCCCCO)c2ccccc21	ZINC000852285706	DF	On-Demand	Anodyne	MTNR1B	15	45
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852285708	GF	On-Demand	Anodyne	CACNA1I	72	38
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852285708	GF	On-Demand	Anodyne	GPR119	39	49
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852285709	GF	On-Demand	Anodyne	CACNA1I	72	38
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852285709	GF	On-Demand	Anodyne	GPR119	39	49
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852285710	GF	On-Demand	Anodyne	CACNA1I	72	38
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@H](CO)c2ccc(F)cc2F)C1	ZINC000852285710	GF	On-Demand	Anodyne	GPR119	39	49
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852285711	GF	On-Demand	Anodyne	CACNA1I	72	38
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H](CO)c2ccc(F)cc2F)C1	ZINC000852285711	GF	On-Demand	Anodyne	GPR119	39	49
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852285712	GH	On-Demand	Anodyne	CACNA1I	67	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)C1	ZINC000852285713	GH	On-Demand	Anodyne	CACNA1I	67	37
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCOc3ccc(O)cc3C2)C1	ZINC000852285738	GF	On-Demand	Anodyne	CACNA1I	51	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCOc3ccc(O)cc3C2)C1	ZINC000852285738	GF	On-Demand	Anodyne	GPR119	31	45
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCOc3ccc(O)cc3C2)C1	ZINC000852285739	GF	On-Demand	Anodyne	CACNA1I	51	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCOc3ccc(O)cc3C2)C1	ZINC000852285739	GF	On-Demand	Anodyne	GPR119	31	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCCCO)C2)cc1	ZINC000852285755	EE	On-Demand	Clean	MTNR1A	22	47
COc1ccc(N2CC[C@H](NC(=O)NCCCCCCO)C2)cc1	ZINC000852285755	EE	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NCCCCCCO)C2)cc1	ZINC000852285755	EE	On-Demand	Clean	EPHX2	20	42
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)C1	ZINC000852285757	GF	On-Demand	Anodyne	CACNA1I	48	36
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)C1	ZINC000852285758	GF	On-Demand	Anodyne	CACNA1I	48	36
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)C1	ZINC000852285759	GF	On-Demand	Anodyne	CACNA1I	48	36
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)C1	ZINC000852285760	GF	On-Demand	Anodyne	CACNA1I	48	36
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3COC[C@@H]3C2)C1	ZINC000852285762	FD	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3COC[C@@H]3C2)C1	ZINC000852285762	FD	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)C1	ZINC000852285763	FD	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)C1	ZINC000852285763	FD	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3COC[C@H]3C2)C1	ZINC000852285764	FD	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3COC[C@H]3C2)C1	ZINC000852285764	FD	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3COC[C@H]3C2)C1	ZINC000852285765	FD	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3COC[C@H]3C2)C1	ZINC000852285765	FD	On-Demand	Anodyne	GPR119	31	40
Cc1ccc([C@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)s1	ZINC000852285767	FG	On-Demand	Anodyne	CACNA1I	45	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2ccoc2)C1	ZINC000852285771	EE	On-Demand	Anodyne	CACNA1I	51	37
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCc2ccoc2)C1	ZINC000852285771	EE	On-Demand	Anodyne	GPR119	38	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2ccoc2)C1	ZINC000852285772	EE	On-Demand	Anodyne	CACNA1I	51	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCc2ccoc2)C1	ZINC000852285772	EE	On-Demand	Anodyne	GPR119	38	40
Cc1ccc([C@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)s1	ZINC000852285773	EH	On-Demand	Anodyne	HTR4	46	40
Cc1ccc([C@H](C)NC(=O)NCC2CCN(CC3CC3)CC2)s1	ZINC000852285773	EH	On-Demand	Anodyne	CACNA1I	64	37
CC[C@@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1	ZINC000852285811	EF	On-Demand	Anodyne	CACNA1I	47	34
CC[C@@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1	ZINC000852285811	EF	On-Demand	Anodyne	GPR119	24	40
CC[C@@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1	ZINC000852285823	EF	On-Demand	Anodyne	CACNA1I	47	34
CC[C@@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1	ZINC000852285823	EF	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCC2(C#N)CCCCC2)C1	ZINC000852285829	FG	On-Demand	Mild	CACNA1I	43	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCC2(C#N)CCCCC2)C1	ZINC000852285830	FG	On-Demand	Mild	CACNA1I	43	37
O=C(NCCCCCCO)NCc1ccc(Cl)c(Cl)c1	ZINC000852285837	DG	On-Demand	Anodyne	POLC	23	43
O=C(NCCCCCCO)NCc1ccc(Cl)c(Cl)c1	ZINC000852285837	DG	On-Demand	Anodyne	ALPL	33	42
O=C(NCCCCCCO)NCc1ccc(Cl)c(Cl)c1	ZINC000852285837	DG	On-Demand	Anodyne	DNAE	73	43
Cc1cncc(CCNC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000852285869	FD	On-Demand	Anodyne	CACNA1I	42	33
Cc1cncc(CCNC(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000852285870	FD	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCc2nc(C(N)=O)cs2)C1	ZINC000852285889	GD	On-Demand	Anodyne	CACNA1I	50	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCc2nc(C(N)=O)cs2)C1	ZINC000852285890	GD	On-Demand	Anodyne	CACNA1I	50	35
CCSC1(CNC(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852285895	FF	On-Demand	Anodyne	CACNA1I	50	34
CCSC1(CNC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852285896	FF	On-Demand	Anodyne	CACNA1I	50	34
C[C@@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C	ZINC000852285897	FE	On-Demand	Anodyne	CACNA1I	51	35
C[C@@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C	ZINC000852285897	FE	On-Demand	Anodyne	GPR119	36	40
C[C@@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C	ZINC000852285898	FE	On-Demand	Anodyne	CACNA1I	51	35
C[C@@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C	ZINC000852285898	FE	On-Demand	Anodyne	GPR119	36	40
C[C@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C	ZINC000852285899	FE	On-Demand	Anodyne	CACNA1I	51	35
C[C@H](NC(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C	ZINC000852285899	FE	On-Demand	Anodyne	GPR119	36	40
C[C@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C	ZINC000852285900	FE	On-Demand	Anodyne	CACNA1I	51	35
C[C@H](NC(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccn1C	ZINC000852285900	FE	On-Demand	Anodyne	GPR119	36	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852285905	EF	On-Demand	Anodyne	CACNA1I	60	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852285906	EF	On-Demand	Anodyne	CACNA1I	60	37
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@]2(C)CC2(F)F)C1	ZINC000852285907	EF	On-Demand	Anodyne	CACNA1I	60	37
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@@]2(C)CC2(F)F)C1	ZINC000852285908	EF	On-Demand	Anodyne	CACNA1I	60	37
Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCN(CC3CC3)C2)s1	ZINC000852285914	EH	On-Demand	Anodyne	CCR3	70	37
Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCN(CC3CC3)C2)s1	ZINC000852285915	EH	On-Demand	Anodyne	CCR3	70	37
CN(C[C@@H]1CC1(C)C)C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285927	EF	On-Demand	Anodyne	CACNA1I	46	34
CN(C[C@@H]1CC1(C)C)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852285928	EF	On-Demand	Anodyne	CACNA1I	46	34
C[C@@]1(CNC(=O)NCCCCCCO)CC1(F)F	ZINC000852285934	CD	On-Demand	Anodyne	EPHX2	16	43
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852285937	GE	On-Demand	Anodyne	CACNA1I	42	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	ZINC000852285938	GE	On-Demand	Anodyne	CACNA1I	42	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852285947	GH	On-Demand	Anodyne	CACNA1I	47	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852285947	GH	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852285948	GH	On-Demand	Anodyne	CACNA1I	47	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CC3CC2(c2ccccc2)C3)C1	ZINC000852285948	GH	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852285961	ED	On-Demand	Anodyne	GRIN2B	23	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852285961	ED	On-Demand	Anodyne	CACNA1I	64	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852285961	ED	On-Demand	Anodyne	GPR119	50	47
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852285962	ED	On-Demand	Anodyne	GRIN2B	23	41
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852285962	ED	On-Demand	Anodyne	CACNA1I	64	37
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852285962	ED	On-Demand	Anodyne	GPR119	50	47
CCO[C@@H]1C[C@@H](NC(=O)NCCCCCCO)C1	ZINC000852285963	CD	On-Demand	Anodyne	EPHX2	30	49
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCCCCCCO	ZINC000852285996	DF	On-Demand	Anodyne	LEF	48	32
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCCCCCCO	ZINC000852285997	DF	On-Demand	Anodyne	LEF	48	32
CC[C@@H](NC(=O)NCCCCCCO)C1CC1	ZINC000852286002	BE	On-Demand	Anodyne	EPHX2	19	42
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852286004	FG	On-Demand	Anodyne	HTR1A	18	40
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852286004	FG	On-Demand	Anodyne	HTR2A	17	42
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852286004	FG	On-Demand	Anodyne	DRD3	24	48
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852286004	FG	On-Demand	Anodyne	BCL2A1	45	39
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@@H](C3CCC3)C2)C1	ZINC000852286006	FG	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@@H](C3CCC3)C2)C1	ZINC000852286006	FG	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@@H](C3CCC3)C2)C1	ZINC000852286007	FG	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@@H](C3CCC3)C2)C1	ZINC000852286007	FG	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H](C3CCC3)C2)C1	ZINC000852286008	FG	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H](C3CCC3)C2)C1	ZINC000852286008	FG	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@H](C3CCC3)C2)C1	ZINC000852286009	FG	On-Demand	Anodyne	CACNA1I	48	34
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@H](C3CCC3)C2)C1	ZINC000852286009	FG	On-Demand	Anodyne	GPR119	30	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852286030	GF	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852286030	GF	On-Demand	Anodyne	SMO	26	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852286031	GF	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC(c3ccon3)CC2)C1	ZINC000852286031	GF	On-Demand	Anodyne	SMO	26	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)C1	ZINC000852286077	GG	On-Demand	Anodyne	CACNA1I	42	32
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)C1	ZINC000852286078	GG	On-Demand	Anodyne	CACNA1I	42	32
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)C1	ZINC000852286079	GG	On-Demand	Anodyne	CACNA1I	42	32
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)C1	ZINC000852286080	GG	On-Demand	Anodyne	CACNA1I	42	32
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC2CCC3(CC2)CC3(F)F)C1	ZINC000852286081	GH	On-Demand	Anodyne	EPHX2	15	42
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC2CCC3(CC2)CC3(F)F)C1	ZINC000852286081	GH	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC2CCC3(CC2)CC3(F)F)C1	ZINC000852286082	GH	On-Demand	Anodyne	EPHX2	15	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC2CCC3(CC2)CC3(F)F)C1	ZINC000852286082	GH	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3C[C@@H]3C2)C1	ZINC000852286085	DE	On-Demand	Anodyne	CACNA1I	56	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3C[C@@H]3C2)C1	ZINC000852286085	DE	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3C[C@H]3C2)C1	ZINC000852286086	DE	On-Demand	Anodyne	CACNA1I	56	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3C[C@H]3C2)C1	ZINC000852286086	DE	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3C[C@@H]3C2)C1	ZINC000852286087	DE	On-Demand	Anodyne	CACNA1I	56	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@@H]3C[C@@H]3C2)C1	ZINC000852286087	DE	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3C[C@H]3C2)C1	ZINC000852286088	DE	On-Demand	Anodyne	CACNA1I	56	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CC[C@H]3C[C@H]3C2)C1	ZINC000852286088	DE	On-Demand	Anodyne	GPR119	34	41
COCc1csc(CNC(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1	ZINC000852286122	GF	On-Demand	Anodyne	CACNA1I	60	36
COCc1csc(CNC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1	ZINC000852286123	GF	On-Demand	Anodyne	CACNA1I	60	36
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NCCCCCCO)C1	ZINC000852286124	CF	On-Demand	Anodyne	EPHX2	20	47
C[C@@H]1CC(CNC(=O)NCCCCCCO)C[C@@H](C)C1	ZINC000852286125	CF	On-Demand	Anodyne	EPHX2	20	47
C[C@H]1CC(CNC(=O)NCCCCCCO)C[C@H](C)C1	ZINC000852286126	CF	On-Demand	Anodyne	EPHX2	20	47
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	HTR1A	17	48
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	DRD2	22	50
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	CNR1	52	32
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	HTR2A	18	44
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	HTR2C	15	44
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	DRD3	43	52
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	CNR2	18	47
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	MC4R	56	39
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	EPHX2	15	45
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	ALPL	33	45
O=C(NCCCCCCO)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852286137	FG	On-Demand	Anodyne	CXCR3	16	49
O=C1CC[C@@H]2CN(C(=O)NCCCCCCO)CC[C@H]2N1	ZINC000852286138	CC	On-Demand	Anodyne	ASAH1	50	33
O=C1CC[C@@H]2CN(C(=O)NCCCCCCO)CC[C@@H]2N1	ZINC000852286139	CC	On-Demand	Anodyne	ASAH1	50	33
O=C1CC[C@H]2CN(C(=O)NCCCCCCO)CC[C@H]2N1	ZINC000852286140	CC	On-Demand	Anodyne	ASAH1	50	33
O=C1CC[C@H]2CN(C(=O)NCCCCCCO)CC[C@@H]2N1	ZINC000852286141	CC	On-Demand	Anodyne	ASAH1	50	33
Cc1ccc([C@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852286142	EG	On-Demand	Anodyne	PYGL	37	51
Cc1ccc([C@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852286142	EG	On-Demand	Anodyne	PYGM	31	49
Cc1ccc([C@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852286143	EG	On-Demand	Anodyne	PYGL	37	51
Cc1ccc([C@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852286143	EG	On-Demand	Anodyne	PYGM	31	49
Cc1ccc([C@@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852286144	EG	On-Demand	Anodyne	PYGL	37	51
Cc1ccc([C@@H](C)NC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852286144	EG	On-Demand	Anodyne	PYGM	31	49
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852286145	EG	On-Demand	Anodyne	PYGL	37	51
Cc1ccc([C@@H](C)NC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852286145	EG	On-Demand	Anodyne	PYGM	31	49
Cc1ccc([C@H](C)NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)s1	ZINC000852286151	FJ	On-Demand	Anodyne	KCNH2	41	43
Cc1ccc([C@H](C)NC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)s1	ZINC000852286151	FJ	On-Demand	Anodyne	GLRA1	43	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852286152	FF	On-Demand	Anodyne	CACNA1I	57	37
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852286153	FF	On-Demand	Anodyne	CACNA1I	57	37
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@H]2C(C)(C)C2(F)F)C1	ZINC000852286154	FF	On-Demand	Anodyne	CACNA1I	57	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)C1	ZINC000852286155	FF	On-Demand	Anodyne	CACNA1I	57	37
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCc3nccnc3C2)C1	ZINC000852286156	FD	On-Demand	Anodyne	CACNA1I	48	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCc3nccnc3C2)C1	ZINC000852286156	FD	On-Demand	Anodyne	GPR119	44	43
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCc3nccnc3C2)C1	ZINC000852286157	FD	On-Demand	Anodyne	CACNA1I	48	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCc3nccnc3C2)C1	ZINC000852286157	FD	On-Demand	Anodyne	GPR119	44	43
Cc1ccc([C@H](C)NC(=O)N2CCc3nccnc3C2)s1	ZINC000852286159	DF	On-Demand	Anodyne	MAPK1	51	39
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852286200	GD	On-Demand	Reactive	CACNA1I	66	36
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852286200	GD	On-Demand	Reactive	GPR119	43	44
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852286201	GD	On-Demand	Reactive	CACNA1I	66	36
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852286201	GD	On-Demand	Reactive	GPR119	43	44
Cc1ccc([C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852286206	FH	On-Demand	Anodyne	ACHE	24	42
Cc1ccc([C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852286206	FH	On-Demand	Anodyne	HTR4	46	42
Cc1ccc([C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852286206	FH	On-Demand	Anodyne	CCR3	15	41
Cc1ccc([C@H](C)NC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852286206	FH	On-Demand	Anodyne	CACNA1I	65	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCC2SCCS2)C1	ZINC000852286215	FE	On-Demand	Anodyne	CACNA1I	47	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCC2SCCS2)C1	ZINC000852286216	FE	On-Demand	Anodyne	CACNA1I	47	35
CN(Cc1cnc[nH]1)Cc1cc(Cl)ccc1OCC#N	ZINC000852286246	CF	On-Demand	Mild	TAAR1	26	42
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)c1ccccc1F	ZINC000852286286	ED	On-Demand	Reactive	HCN1	56	32
Cn1ncc(C2CCC2)c1CNC(=O)NNC(=O)c1ccccc1F	ZINC000852286286	ED	On-Demand	Reactive	HCN4	48	32
CCCCCCCN(C)Cc1cnc[nH]1	ZINC000852286298	BF	On-Demand	Mild	TAAR1	25	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@@H]2CCOC2(C)C)C1	ZINC000852286333	FE	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CCOC2(C)C)C1	ZINC000852286334	FE	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NC[C@H]2CCOC2(C)C)C1	ZINC000852286335	FE	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@H]2CCOC2(C)C)C1	ZINC000852286336	FE	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCCOCCF)C1	ZINC000852286344	ED	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCCOCCF)C1	ZINC000852286345	ED	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852286400	GD	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852286401	GD	On-Demand	Anodyne	GPR119	25	40
O=C(NCCCCCCO)NCC1(Cc2ccc(Br)cc2)CC1	ZINC000852286409	GH	On-Demand	Anodyne	EPHX2	16	43
O=C(NCCCCCCO)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852286410	FG	On-Demand	Anodyne	DRD2	21	40
O=C(NCCCCCCO)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852286410	FG	On-Demand	Anodyne	DRD3	43	41
O=C(NCCCCCCO)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852286411	FG	On-Demand	Anodyne	DRD2	21	40
O=C(NCCCCCCO)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852286411	FG	On-Demand	Anodyne	DRD3	43	41
O=C(NCCCCCCO)NCCCC1CCC1	ZINC000852286412	CE	On-Demand	Anodyne	EPHX2	15	46
Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1	ZINC000852286415	FH	On-Demand	Clean	VHL	48	31
C[C@H](C(=O)Nc1cccnc1Cl)N(C)Cc1cnc[nH]1	ZINC000852286425	CD	On-Demand	Anodyne	G2YM83_BOTF4	56	31
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1ccccc1F	ZINC000852286462	DE	On-Demand	Reactive	ECR	66	47
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)c1ccccc1F	ZINC000852286462	DE	On-Demand	Reactive	E3UJZ5_SPOLI	43	47
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2F)CC1(F)F	ZINC000852286489	DD	On-Demand	Reactive	HCN1	69	32
C[C@@]1(CNC(=O)NNC(=O)c2ccccc2F)CC1(F)F	ZINC000852286489	DD	On-Demand	Reactive	HCN4	47	30
CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1cnc[nH]1	ZINC000852286514	FD	On-Demand	Bother	SSTR1	61	49
COc1ccc2c(CN(C)Cc3cnc[nH]3)cc(=O)oc2c1	ZINC000852286622	CE	On-Demand	Anodyne	CYP19A1	15	50
COc1ccc2c(CN(C)Cc3cnc[nH]3)cc(=O)oc2c1	ZINC000852286622	CE	On-Demand	Anodyne	CYP11B1	17	44
COc1ccc2c(CN(C)Cc3cnc[nH]3)cc(=O)oc2c1	ZINC000852286622	CE	On-Demand	Anodyne	MAOB	34	42
COc1ccc2c(CN(C)Cc3cnc[nH]3)cc(=O)oc2c1	ZINC000852286622	CE	On-Demand	Anodyne	TAAR1	23	43
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccccc1F	ZINC000852286623	GF	On-Demand	Reactive	DRD2	18	44
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccccc1F	ZINC000852286623	GF	On-Demand	Reactive	SLC6A1	38	41
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccccc1F	ZINC000852286623	GF	On-Demand	Reactive	DRD3	32	44
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccccc1F	ZINC000852286623	GF	On-Demand	Reactive	CACNA1I	48	33
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccccc1F	ZINC000852286624	GF	On-Demand	Reactive	DRD2	18	44
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccccc1F	ZINC000852286624	GF	On-Demand	Reactive	SLC6A1	38	41
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccccc1F	ZINC000852286624	GF	On-Demand	Reactive	DRD3	32	44
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccccc1F	ZINC000852286624	GF	On-Demand	Reactive	CACNA1I	48	33
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000852286635	GC	On-Demand	Reactive	CACNA1I	43	35
COC1CC(CCNC(=O)NNC(=O)c2ccccc2F)C1	ZINC000852286637	DD	On-Demand	Reactive	HCN1	41	29
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000852286640	GC	On-Demand	Reactive	CACNA1I	43	35
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000852286641	GC	On-Demand	Reactive	CACNA1I	43	35
CNC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	ZINC000852286642	FD	On-Demand	Reactive	HCN1	63	37
CNC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	ZINC000852286642	FD	On-Demand	Reactive	HCN4	55	35
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000852286644	GC	On-Demand	Reactive	CACNA1I	43	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852286692	FF	On-Demand	Reactive	CACNA1I	74	39
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852286692	FF	On-Demand	Reactive	GPR119	50	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852286693	FF	On-Demand	Reactive	CACNA1I	74	39
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852286693	FF	On-Demand	Reactive	GPR119	50	40
O=C(NCCCCCCO)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852286704	FG	On-Demand	Anodyne	P2RY14	40	35
CN(Cc1cnc[nH]1)C[C@@H](O)c1cccc(Cl)c1	ZINC000852286713	CE	On-Demand	Anodyne	TAAR1	34	54
CN(Cc1cnc[nH]1)C[C@H](O)c1cccc(Cl)c1	ZINC000852286715	CE	On-Demand	Anodyne	TAAR1	34	54
O=C(NCCCCCCO)NCCc1ccnc2ccccc12	ZINC000852286738	DF	On-Demand	Anodyne	MTNR1A	41	44
O=C(NCCCCCCO)NCCc1ccnc2ccccc12	ZINC000852286738	DF	On-Demand	Anodyne	MTNR1B	32	44
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)NCC2(CC(N)=O)CCCCC2)C1	ZINC000852286751	GE	On-Demand	Anodyne	CACNA1I	43	37
CN(Cc1cnc[nH]1)Cc1cnc(Cl)s1	ZINC000852286752	BE	On-Demand	Anodyne	TAAR1	26	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NCC2(CC(N)=O)CCCCC2)C1	ZINC000852286754	GE	On-Demand	Anodyne	CACNA1I	43	37
CC(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cn1	ZINC000852286758	GE	On-Demand	Clean	STAT6	28	42
CN(Cc1cnc[nH]1)CC(F)(F)C(F)F	ZINC000852286772	BD	On-Demand	Anodyne	TAAR1	26	41
O=C(NCCCCCCO)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852286777	DE	On-Demand	Anodyne	EPHX2	16	50
O=C(NCCCCCCO)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852286778	DE	On-Demand	Anodyne	EPHX2	16	50
CC(C)(C)N1CC[C@@H](NC(=O)NCCCCCCO)C1	ZINC000852286786	CD	On-Demand	Anodyne	EPHX2	20	48
CC(C)(C)N1CC[C@H](NC(=O)NCCCCCCO)C1	ZINC000852286787	CD	On-Demand	Anodyne	EPHX2	20	48
O=C(NCCCCCCO)NCC1CCN(Cc2ccncc2)CC1	ZINC000852286797	EE	On-Demand	Anodyne	ACHE	35	49
O=C(NCCCCCCO)NCC1CCN(Cc2ccncc2)CC1	ZINC000852286797	EE	On-Demand	Anodyne	HTR4	44	42
O=C(NCCCCCCO)NCC1CCN(Cc2ccncc2)CC1	ZINC000852286797	EE	On-Demand	Anodyne	SIGMAR1	27	46
O=C(NCCCCCCO)NCC1CCN(Cc2ccncc2)CC1	ZINC000852286797	EE	On-Demand	Anodyne	SSTR5	50	35
O=C(NCCCCCCO)NCC1CCN(Cc2ccncc2)CC1	ZINC000852286797	EE	On-Demand	Anodyne	CCR3	38	40
O=C(NCCCCCCO)NCC1CCN(Cc2ccncc2)CC1	ZINC000852286797	EE	On-Demand	Anodyne	CACNA1I	63	42
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286799	GG	On-Demand	Anodyne	EPHX2	56	39
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286799	GG	On-Demand	Anodyne	CACNA1I	50	35
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286799	GG	On-Demand	Anodyne	CCR8	39	42
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286799	GG	On-Demand	Anodyne	GPR119	46	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286799	GG	On-Demand	Anodyne	SFRP1	26	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286800	GG	On-Demand	Anodyne	EPHX2	56	39
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286800	GG	On-Demand	Anodyne	CACNA1I	50	35
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286800	GG	On-Demand	Anodyne	CCR8	39	42
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286800	GG	On-Demand	Anodyne	GPR119	46	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)C1	ZINC000852286800	GG	On-Demand	Anodyne	SFRP1	26	40
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)C1	ZINC000852286801	FF	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]23)C1	ZINC000852286802	FF	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)C1	ZINC000852286803	FF	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)C1	ZINC000852286804	FF	On-Demand	Anodyne	CACNA1I	46	33
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1ccccc1F	ZINC000852286826	CF	On-Demand	Reactive	DAC	53	42
CCn1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1=O	ZINC000852286836	EC	On-Demand	Anodyne	EPHX2	34	40
COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CC3)C2)cc1	ZINC000852286838	EE	On-Demand	Clean	MTNR1A	20	46
COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CC3)C2)cc1	ZINC000852286838	EE	On-Demand	Clean	MTNR1B	20	46
CC(C)c1ccc(NC(=O)CN(C)Cc2cnc[nH]2)cc1	ZINC000852286847	CF	On-Demand	Anodyne	TAAR1	26	40
Cc1ccccc1[C@@H](O)CN(C)Cc1cnc[nH]1	ZINC000852286852	BD	On-Demand	Anodyne	TAAR1	26	45
Cc1ccccc1[C@H](O)CN(C)Cc1cnc[nH]1	ZINC000852286853	BD	On-Demand	Anodyne	TAAR1	26	45
CCOC(=O)N1CCN(C(=O)[C@@H](C)N(C)Cc2cnc[nH]2)CC1	ZINC000852286871	DC	On-Demand	Anodyne	P2RY12	66	39
CCOC(=O)N1CCN(C(=O)[C@H](C)N(C)Cc2cnc[nH]2)CC1	ZINC000852286872	DC	On-Demand	Anodyne	P2RY12	66	39
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccccc3F)C2)cc1	ZINC000852286886	FE	On-Demand	Reactive	CCR8	40	30
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2ccccc2F)C1	ZINC000852286892	DD	On-Demand	Reactive	CCR8	58	33
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2ccccc2F)C1	ZINC000852286893	DD	On-Demand	Reactive	CCR8	58	33
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	CTSD	37	47
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	PGC	61	38
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	PAPA1_CARPA	40	40
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	CCKAR	43	34
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	PGA	59	38
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	REN	87	58
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	REN1	32	41
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	BACE1	19	46
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	FPR1	47	39
CN(Cc1cnc[nH]1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000852286894	FE	On-Demand	Anodyne	CYP3A4	40	38
C=CCCC1(CNC(=O)NNC(=O)c2ccccc2F)CCCC1	ZINC000852286911	EG	On-Demand	Reactive	HCN1	64	34
C=CCCC1(CNC(=O)NNC(=O)c2ccccc2F)CCCC1	ZINC000852286911	EG	On-Demand	Reactive	HCN4	51	33
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)c1ccccc1F	ZINC000852286913	GE	On-Demand	Reactive	DRD2	19	50
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)c1ccccc1F	ZINC000852286913	GE	On-Demand	Reactive	DRD4	41	50
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)c1ccccc1F	ZINC000852286913	GE	On-Demand	Reactive	ACHE	44	53
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)c1ccccc1F	ZINC000852286913	GE	On-Demand	Reactive	HTR4	61	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)c1ccccc1F	ZINC000852286913	GE	On-Demand	Reactive	SIGMAR1	37	54
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)c1ccccc1F	ZINC000852286913	GE	On-Demand	Reactive	SSTR5	52	36
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)c1ccccc1F	ZINC000852286913	GE	On-Demand	Reactive	CCR3	68	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)c1ccccc1F	ZINC000852286913	GE	On-Demand	Reactive	CACNA1I	67	42
CN(Cc1cnc[nH]1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852286914	CE	On-Demand	Anodyne	GPR119	43	38
CN(Cc1cnc[nH]1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852286915	CE	On-Demand	Anodyne	GPR119	43	38
COCCONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852286935	ED	On-Demand	Anodyne	AMY2	48	33
COCCONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852286935	ED	On-Demand	Anodyne	SSTR3	35	48
COCCONC(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852286947	FH	On-Demand	Anodyne	ACACA	24	42
COCCONC(=O)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852286947	FH	On-Demand	Anodyne	ACACB	23	42
COCCONC(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852286948	FH	On-Demand	Anodyne	ACACA	24	42
COCCONC(=O)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852286948	FH	On-Demand	Anodyne	ACACB	23	42
COCCONC(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852286949	FH	On-Demand	Anodyne	ACACA	24	42
COCCONC(=O)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852286949	FH	On-Demand	Anodyne	ACACB	23	42
COCCONC(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852286950	FH	On-Demand	Anodyne	ACACA	24	42
COCCONC(=O)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852286950	FH	On-Demand	Anodyne	ACACB	23	42
O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852286963	GF	On-Demand	Anodyne	EPHX2	21	42
O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852286964	GF	On-Demand	Anodyne	EPHX2	21	42
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	DRD2	16	43
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	DRD4	18	43
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	HRH1	18	42
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	HTR4	66	43
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	SIGMAR1	26	46
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	CCR3	51	39
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	CACNA1I	67	38
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	HCN1	64	34
O=C(NCC1CCN(CC2CC2)CC1)NNC(=O)c1ccccc1F	ZINC000852286986	ED	On-Demand	Reactive	HCN4	52	34
COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CCC3)C2)cc1	ZINC000852286994	EF	On-Demand	Clean	MTNR1A	21	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CCC3)C2)cc1	ZINC000852286994	EF	On-Demand	Clean	MTNR1B	20	45
CCSC1(CNC(=O)NNC(=O)c2ccccc2F)CC1	ZINC000852287024	DE	On-Demand	Reactive	KCNA3	40	34
CCSC1(CNC(=O)NNC(=O)c2ccccc2F)CC1	ZINC000852287024	DE	On-Demand	Reactive	HCN1	74	35
CCSC1(CNC(=O)NNC(=O)c2ccccc2F)CC1	ZINC000852287024	DE	On-Demand	Reactive	HCN4	52	33
CCCCCCCCN(C)Cc1cnc[nH]1	ZINC000852287046	BG	On-Demand	Mild	TAAR1	25	40
COc1cccc(OC)c1CNC(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287047	GE	On-Demand	Reactive	KCNA3	41	33
CC(=O)Oc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852287050	DF	On-Demand	Anodyne	CACNA1B	34	41
CC(=O)Oc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852287050	DF	On-Demand	Anodyne	NPY5R	16	41
CC(=O)Oc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852287052	DF	On-Demand	Anodyne	CACNA1B	34	41
CC(=O)Oc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852287052	DF	On-Demand	Anodyne	NPY5R	16	41
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cnc[nH]1	ZINC000852287085	ED	On-Demand	Anodyne	MTOR	71	38
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cnc[nH]1	ZINC000852287085	ED	On-Demand	Anodyne	STAT6	54	33
CN(Cc1cnc[nH]1)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000852287098	CF	On-Demand	Bother	TAAR1	26	43
N#CC1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	ZINC000852287106	DE	On-Demand	Reactive	HCN1	57	36
N#CC1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	ZINC000852287106	DE	On-Demand	Reactive	HCN4	53	34
O=C(NCC1CCN(C2CCOCC2)CC1)NNC(=O)c1ccccc1F	ZINC000852287107	GD	On-Demand	Reactive	HTR4	50	38
O=C(NCC1CCN(C2CCOCC2)CC1)NNC(=O)c1ccccc1F	ZINC000852287107	GD	On-Demand	Reactive	CACNA1I	59	33
O=C(NCC1CCN(C2CCOCC2)CC1)NNC(=O)c1ccccc1F	ZINC000852287107	GD	On-Demand	Reactive	HCN1	42	38
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	ZINC000852287110	FD	On-Demand	Reactive	HCN1	40	31
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NNC(=O)c1ccccc1F	ZINC000852287110	FD	On-Demand	Reactive	HCN4	41	31
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F	ZINC000852287111	FD	On-Demand	Reactive	HCN1	40	31
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NNC(=O)c1ccccc1F	ZINC000852287111	FD	On-Demand	Reactive	HCN4	41	31
C[C@H](C#N)OCCN(C)Cc1cnc[nH]1	ZINC000852287116	BC	On-Demand	Mild	TAAR1	26	40
C[C@@H](C#N)OCCN(C)Cc1cnc[nH]1	ZINC000852287117	BC	On-Demand	Mild	TAAR1	26	40
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000852287123	CE	On-Demand	Anodyne	TAAR1	27	45
CN(Cc1cnc[nH]1)C[C@H](O)c1ccc(Cl)c(F)c1	ZINC000852287124	CE	On-Demand	Anodyne	TAAR1	27	45
CN(Cc1ccc(CF)cc1)Cc1cnc[nH]1	ZINC000852287139	BF	On-Demand	Anodyne	TAAR1	27	42
C#CCCN(C)Cc1cnc[nH]1	ZINC000852287146	AC	On-Demand	Mild	TAAR1	25	40
CN(Cc1ccc(F)cn1)Cc1cnc[nH]1	ZINC000852287154	BD	On-Demand	Anodyne	TAAR1	26	40
CN(C[C@H](O)CN(C)[C@H](CO)Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000852287179	FD	On-Demand	Anodyne	FPR1	43	35
CN(C[C@H](O)CN(C)[C@@H](CO)Cc1ccccc1)C(=O)OC(C)(C)C	ZINC000852287180	FD	On-Demand	Anodyne	FPR1	43	35
CN(Cc1cnc[nH]1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000852287210	DD	On-Demand	Anodyne	TAAR1	26	40
CN(Cc1cnc[nH]1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000852287211	DD	On-Demand	Anodyne	TAAR1	26	40
CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1	ZINC000852287218	EG	On-Demand	Bother	COLA	42	34
CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1	ZINC000852287219	EG	On-Demand	Bother	COLA	42	34
COCCONC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852287242	FC	On-Demand	Reactive	DRD4	19	41
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccccc1F	ZINC000852287337	FD	On-Demand	Reactive	SCN2A	20	48
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccccc1F	ZINC000852287337	FD	On-Demand	Reactive	SCN10A	26	48
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccccc1F	ZINC000852287337	FD	On-Demand	Reactive	HCN1	51	32
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccccc1F	ZINC000852287337	FD	On-Demand	Reactive	HCN4	47	30
CO[C@@](C)(CNC(=O)NNC(=O)c1ccccc1F)COCc1ccccc1	ZINC000852287347	GE	On-Demand	Reactive	ECR	26	40
CS(=O)(=O)C1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	ZINC000852287365	FD	On-Demand	Reactive	HCN1	73	38
CS(=O)(=O)C1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	ZINC000852287365	FD	On-Demand	Reactive	HCN4	56	36
NC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	ZINC000852287366	FD	On-Demand	Reactive	HCN1	57	36
NC(=O)CC1(CNC(=O)NNC(=O)c2ccccc2F)CCCCC1	ZINC000852287366	FD	On-Demand	Reactive	HCN4	53	34
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852287382	GF	On-Demand	Reactive	SSTR3	34	46
O=C(NCCO[C@H]1CC1(F)F)NNC(=O)c1ccccc1F	ZINC000852287384	DD	On-Demand	Reactive	HCN1	41	29
O=C(NCCO[C@@H]1CC1(F)F)NNC(=O)c1ccccc1F	ZINC000852287385	DD	On-Demand	Reactive	HCN1	41	29
COc1ccc(CN(C)Cc2cnc[nH]2)cc1SC(F)(F)F	ZINC000852287386	EH	On-Demand	Anodyne	TAAR1	25	42
O=C(NCCN1C[C@H]2CCCCN2C1=O)NNC(=O)c1ccccc1F	ZINC000852287393	FD	On-Demand	Reactive	PLD1	44	35
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NNC(=O)c1ccccc1F	ZINC000852287394	FD	On-Demand	Reactive	PLD1	44	35
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)c1ccccc1F	ZINC000852287397	FE	On-Demand	Reactive	DRD2	39	48
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)c1ccccc1F	ZINC000852287397	FE	On-Demand	Reactive	SIGMAR1	27	53
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)c1ccccc1F	ZINC000852287398	FE	On-Demand	Reactive	DRD2	39	48
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)c1ccccc1F	ZINC000852287398	FE	On-Demand	Reactive	SIGMAR1	27	53
CCn1cccc(CNC(=O)NNC(=O)[C@@H]2CN(C)C[C@H](C)O2)c1=O	ZINC000852287401	FB	On-Demand	Reactive	P2RX7	46	36
CCn1cccc(CNC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1=O	ZINC000852287402	FB	On-Demand	Reactive	P2RX7	46	36
CCn1cccc(CNC(=O)NNC(=O)[C@H]2CN(C)C[C@H](C)O2)c1=O	ZINC000852287403	FB	On-Demand	Reactive	P2RX7	46	36
CCn1cccc(CNC(=O)NNC(=O)[C@@H]2CN(C)C[C@@H](C)O2)c1=O	ZINC000852287404	FB	On-Demand	Reactive	P2RX7	46	36
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(NC(C)=O)nc3)C2)cc1	ZINC000852287406	GE	On-Demand	Clean	MCHR1	17	45
O=C(NC[C@]12OCCC[C@H]1C2(F)F)NNC(=O)c1ccccc1F	ZINC000852287409	ED	On-Demand	Reactive	HCN1	40	31
O=C(NC[C@]12OCCC[C@H]1C2(F)F)NNC(=O)c1ccccc1F	ZINC000852287409	ED	On-Demand	Reactive	HCN4	40	31
CN(Cc1cnc(Cl)cn1)Cc1cnc[nH]1	ZINC000852287461	BD	On-Demand	Anodyne	TAAR1	26	42
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C2)N1	ZINC000852287472	GF	On-Demand	Anodyne	EPHX2	18	41
COCCONC(=O)NCc1cc(Cl)ccc1I	ZINC000852287481	GE	On-Demand	Anodyne	P2RX7	24	41
CN(CCF)Cc1cnc[nH]1	ZINC000852287483	AC	On-Demand	Anodyne	TAAR1	27	43
CC(C)(C)OC(=O)C1(CNC(=O)NNC(=O)c2ccccc2F)CCC1	ZINC000852287489	FE	On-Demand	Reactive	HCN1	67	34
CC(C)(C)OC(=O)C1(CNC(=O)NNC(=O)c2ccccc2F)CCC1	ZINC000852287489	FE	On-Demand	Reactive	HCN4	51	32
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287515	ED	On-Demand	Reactive	EPHX2	20	41
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287515	ED	On-Demand	Reactive	RBP4	52	33
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287518	ED	On-Demand	Reactive	EPHX2	20	41
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287518	ED	On-Demand	Reactive	RBP4	52	33
CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1cnc[nH]1	ZINC000852287520	EF	On-Demand	Anodyne	TAAR1	23	40
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NNC(=O)c1ccccc1F)C2	ZINC000852287521	GE	On-Demand	Reactive	HCN1	73	33
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NNC(=O)c1ccccc1F)C2	ZINC000852287521	GE	On-Demand	Reactive	HCN4	51	32
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287522	ED	On-Demand	Reactive	EPHX2	20	41
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287522	ED	On-Demand	Reactive	RBP4	52	33
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287523	ED	On-Demand	Reactive	EPHX2	20	41
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287523	ED	On-Demand	Reactive	RBP4	52	33
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852287546	GF	On-Demand	Anodyne	EPHX2	24	46
COCCONC(=O)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852287568	FG	On-Demand	Anodyne	BDKRB1	49	38
O=C(NNC(=O)c1ccccc1F)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852287569	EE	On-Demand	Reactive	SLC6A5	17	42
COCCONC(=O)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852287571	FG	On-Demand	Anodyne	BDKRB1	49	38
O=C(NNC(=O)c1ccccc1F)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852287572	EE	On-Demand	Reactive	SLC6A5	17	42
C[C@H](c1nc(N)nc(Cl)n1)N(C)Cc1cnc[nH]1	ZINC000852287607	CD	On-Demand	Anodyne	TAAR1	27	45
CN(Cc1ccc(Cl)nc1)[C@H](CO)Cc1ccccc1	ZINC000852287622	CF	On-Demand	Anodyne	Q8WSF8_APLCA	20	42
CN(Cc1ccc(Cl)nc1)[C@H](CO)Cc1ccccc1	ZINC000852287622	CF	On-Demand	Anodyne	NACHRBETA2	28	42
CN(Cc1ccc(Cl)nc1)[C@@H](CO)Cc1ccccc1	ZINC000852287623	CF	On-Demand	Anodyne	Q8WSF8_APLCA	20	42
CN(Cc1ccc(Cl)nc1)[C@@H](CO)Cc1ccccc1	ZINC000852287623	CF	On-Demand	Anodyne	NACHRBETA2	28	42
COCCONC(=O)NC[C@]1(c2ccccc2)CC1(C)C	ZINC000852287629	CE	On-Demand	Anodyne	KCNA3	46	37
COCCONC(=O)NC[C@@]1(c2ccccc2)CC1(C)C	ZINC000852287631	CE	On-Demand	Anodyne	KCNA3	46	37
COCCONC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852287640	EC	On-Demand	Anodyne	DRD2	18	43
COCCONC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852287640	EC	On-Demand	Anodyne	SIGMAR1	22	46
COCCONC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852287641	EC	On-Demand	Anodyne	DRD2	18	43
COCCONC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852287641	EC	On-Demand	Anodyne	SIGMAR1	22	46
COCCONC(=O)NNc1ccc(Cl)cn1	ZINC000852287655	CC	On-Demand	Reactive	F10	49	34
O=C(NNC(=O)N1CCC(c2ccon2)CC1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852287679	GE	On-Demand	Reactive	EPHX2	18	47
COCCONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852287721	CD	On-Demand	Anodyne	DRD2	40	48
COCCONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852287721	CD	On-Demand	Anodyne	DRD4	22	40
COCCONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852287721	CD	On-Demand	Anodyne	SLC6A3	17	44
COCCONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852287721	CD	On-Demand	Anodyne	SIGMAR1	37	49
COCCONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852287722	CD	On-Demand	Anodyne	DRD2	40	48
COCCONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852287722	CD	On-Demand	Anodyne	DRD4	22	40
COCCONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852287722	CD	On-Demand	Anodyne	SLC6A3	17	44
COCCONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852287722	CD	On-Demand	Anodyne	SIGMAR1	37	49
O=C(NNC(=O)[C@H]1OCC[C@H]1c1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852287732	GE	On-Demand	Reactive	EPHX2	29	41
Cc1cccc(C(=O)NNC(=O)CN(C)[C@@H](CO)Cc2ccccc2)c1	ZINC000852287746	FD	On-Demand	Reactive	CTSL	20	40
Cc1cccc(C(=O)NNC(=O)CN(C)[C@@H](CO)Cc2ccccc2)c1	ZINC000852287746	FD	On-Demand	Reactive	KCNK3	58	41
Cc1cccc(C(=O)NNC(=O)CN(C)[C@@H](CO)Cc2ccccc2)c1	ZINC000852287746	FD	On-Demand	Reactive	KCNK9	45	41
Cc1cccc(C(=O)NNC(=O)CN(C)[C@H](CO)Cc2ccccc2)c1	ZINC000852287747	FD	On-Demand	Reactive	CTSL	20	40
Cc1cccc(C(=O)NNC(=O)CN(C)[C@H](CO)Cc2ccccc2)c1	ZINC000852287747	FD	On-Demand	Reactive	KCNK3	58	41
Cc1cccc(C(=O)NNC(=O)CN(C)[C@H](CO)Cc2ccccc2)c1	ZINC000852287747	FD	On-Demand	Reactive	KCNK9	45	41
COCCONC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852287751	ED	On-Demand	Anodyne	NQO2	21	41
COCCONC(=O)NC[C@@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852287751	ED	On-Demand	Anodyne	HTR6	21	40
COCCONC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852287752	ED	On-Demand	Anodyne	NQO2	21	41
COCCONC(=O)NC[C@H]1CCCc2ccc(C(=O)OC)cc21	ZINC000852287752	ED	On-Demand	Anodyne	HTR6	21	40
CN(C[C@@H](O)c1ccc(Cl)cc1)[C@@H](CO)Cc1ccccc1	ZINC000852287799	DF	On-Demand	Anodyne	AOC3	19	50
CN(C[C@@H](O)c1ccc(Cl)cc1)[C@H](CO)Cc1ccccc1	ZINC000852287801	DF	On-Demand	Anodyne	AOC3	19	50
CN(CCOC(F)F)Cc1cnc[nH]1	ZINC000852287814	BD	On-Demand	Anodyne	TAAR1	26	40
CN(Cc1cnc[nH]1)C[C@@H](O)c1cc2ccccc2o1	ZINC000852287815	CE	On-Demand	Anodyne	TAAR1	25	41
CN(CCI)Cc1cnc[nH]1	ZINC000852287816	CD	On-Demand	Reactive	TAAR1	27	43
CN(Cc1cnc[nH]1)C[C@@H](O)c1cccnc1	ZINC000852287817	BC	On-Demand	Anodyne	CYP51A1	16	40
CN(Cc1cnc[nH]1)C[C@@H](O)c1cccnc1	ZINC000852287817	BC	On-Demand	Anodyne	TAAR1	26	42
CN(Cc1cnc[nH]1)C[C@H](O)c1cccnc1	ZINC000852287818	BC	On-Demand	Anodyne	CYP51A1	16	40
CN(Cc1cnc[nH]1)C[C@H](O)c1cccnc1	ZINC000852287818	BC	On-Demand	Anodyne	TAAR1	26	42
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccccn1	ZINC000852287821	BC	On-Demand	Anodyne	TAAR1	26	44
CN(Cc1cnc[nH]1)C[C@H](O)c1ccccn1	ZINC000852287822	BC	On-Demand	Anodyne	TAAR1	26	44
CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CO)Cc1ccccc1	ZINC000852287837	GE	On-Demand	Anodyne	FPR1	42	33
CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CO)Cc1ccccc1	ZINC000852287838	GE	On-Demand	Anodyne	FPR1	42	33
COCCONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852287912	CC	On-Demand	Anodyne	PYGL	39	53
COCCONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852287912	CC	On-Demand	Anodyne	PYGM	34	53
COCCONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852287912	CC	On-Demand	Anodyne	TPP2	55	32
COCCONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852287913	CC	On-Demand	Anodyne	PYGL	39	53
COCCONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852287913	CC	On-Demand	Anodyne	PYGM	34	53
COCCONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852287913	CC	On-Demand	Anodyne	TPP2	55	32
COCCONC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852287927	DB	On-Demand	Anodyne	CA2	32	44
COCCONC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852287927	DB	On-Demand	Anodyne	CA1	26	44
COCCONC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852287927	DB	On-Demand	Anodyne	TRPV1	18	41
COCCONC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852287927	DB	On-Demand	Anodyne	CA4	26	44
COCCONC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852287927	DB	On-Demand	Anodyne	CA9	25	44
CN(Cc1cnc[nH]1)Cc1ccc(Cl)nc1Cl	ZINC000852287994	CF	On-Demand	Anodyne	TAAR1	27	43
CN(Cc1cnc[nH]1)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852288005	EF	On-Demand	Anodyne	GRIN2B	57	55
CN(Cc1cnc[nH]1)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852288005	EF	On-Demand	Anodyne	PREP	27	41
CN(Cc1cnc[nH]1)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852288005	EF	On-Demand	Anodyne	TGM2	30	44
CN(Cc1cnc[nH]1)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852288005	EF	On-Demand	Anodyne	F13A1	36	44
CN(Cc1cnc[nH]1)[C@H]1CCc2cc(Cl)ccc21	ZINC000852288016	CG	On-Demand	Anodyne	TAAR1	27	46
CN(Cc1cnc[nH]1)[C@@H]1CCc2cc(Cl)ccc21	ZINC000852288017	CG	On-Demand	Anodyne	TAAR1	27	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)C2)cc1	ZINC000852288024	FG	On-Demand	Clean	SLC6A4	22	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)C2)cc1	ZINC000852288024	FG	On-Demand	Clean	SLC6A3	39	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)C2)cc1	ZINC000852288024	FG	On-Demand	Clean	EPHX2	24	54
C[C@@H](CBr)CN(C)Cc1cnc[nH]1	ZINC000852288028	BD	On-Demand	Reactive	TAAR1	29	45
CN(CC1CCC2(CC1)OCCO2)[C@@H](CO)Cc1ccccc1	ZINC000852288033	DE	On-Demand	Anodyne	C5AR1	30	42
CN(CC1CCC2(CC1)OCCO2)[C@H](CO)Cc1ccccc1	ZINC000852288034	DE	On-Demand	Anodyne	C5AR1	30	42
C[C@@]1(C#N)CCN(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)C1	ZINC000852288133	ED	On-Demand	Reactive	EPHX2	21	41
COCCONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852288138	DD	On-Demand	Clean	HRH4	41	37
COCCONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852288138	DD	On-Demand	Clean	MTNR1A	16	49
COCCONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852288138	DD	On-Demand	Clean	MCHR1	15	43
COCCONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852288139	DD	On-Demand	Clean	HRH4	41	37
COCCONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852288139	DD	On-Demand	Clean	MTNR1A	16	49
COCCONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852288139	DD	On-Demand	Clean	MCHR1	15	43
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H](CO)Cc1ccccc1	ZINC000852288149	FD	On-Demand	Reactive	MME	55	36
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@H](CO)Cc1ccccc1	ZINC000852288149	FD	On-Demand	Reactive	AMP1_PLAFQ	27	45
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@@H](CO)Cc1ccccc1	ZINC000852288150	FD	On-Demand	Reactive	MME	55	36
Cc1ccccc1CC(=O)NNC(=O)CN(C)[C@@H](CO)Cc1ccccc1	ZINC000852288150	FD	On-Demand	Reactive	AMP1_PLAFQ	27	45
COCCONC(=O)NCc1ccc(-c2cccs2)cc1	ZINC000852288169	DF	On-Demand	Anodyne	HDAC1	19	54
COCCONC(=O)NCc1ccc(-c2cccs2)cc1	ZINC000852288169	DF	On-Demand	Anodyne	HDAC2	15	54
COCCONC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852288170	GF	On-Demand	Anodyne	EPHX2	19	40
COCCONC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852288170	GF	On-Demand	Anodyne	GPR119	30	42
COCCONC(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852288206	EE	On-Demand	Anodyne	NPFFR1	40	36
COCCONC(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2	ZINC000852288208	EE	On-Demand	Anodyne	NPFFR1	40	36
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccc(F)cc1Cl	ZINC000852288221	CE	On-Demand	Anodyne	TAAR1	26	43
CN(Cc1cnc[nH]1)C[C@H](O)c1ccc(F)cc1Cl	ZINC000852288223	CE	On-Demand	Anodyne	TAAR1	26	43
COCCONC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852288234	CE	On-Demand	Anodyne	P2RX7	16	46
COCCONC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852288234	CE	On-Demand	Anodyne	POLC	22	45
COCCONC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852288234	CE	On-Demand	Anodyne	DNAE	67	38
COCCONC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852288234	CE	On-Demand	Anodyne	NCE103	15	46
COCCONC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852288234	CE	On-Demand	Anodyne	RPA1	46	36
O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852288251	ED	On-Demand	Anodyne	EPHX2	22	41
O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852288253	ED	On-Demand	Anodyne	EPHX2	22	41
CN(Cc1csc(Cl)n1)Cc1cnc[nH]1	ZINC000852288255	BE	On-Demand	Anodyne	TAAR1	25	40
COCCONC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852288268	DC	On-Demand	Anodyne	BDKRB1	26	40
CN(CCC(=O)OCc1ccccc1)Cc1cnc[nH]1	ZINC000852288298	CD	On-Demand	Anodyne	LTA4H	19	40
CN(CCC(=O)OCc1ccccc1)Cc1cnc[nH]1	ZINC000852288298	CD	On-Demand	Anodyne	TAAR1	25	44
COCCONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852288304	EE	On-Demand	Anodyne	DRD2	28	42
COCCONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852288304	EE	On-Demand	Anodyne	DRD3	42	36
COCCONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852288304	EE	On-Demand	Anodyne	HTR4	48	37
COCCONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852288304	EE	On-Demand	Anodyne	CACNA1I	61	37
COCCONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852288306	EE	On-Demand	Anodyne	DRD2	28	42
COCCONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852288306	EE	On-Demand	Anodyne	DRD3	42	36
COCCONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852288306	EE	On-Demand	Anodyne	HTR4	48	37
COCCONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852288306	EE	On-Demand	Anodyne	CACNA1I	61	37
O=C(NNC(=O)N1CCC(C2CCC2)CC1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852288316	FF	On-Demand	Reactive	EPHX2	25	42
CN(Cc1cnc[nH]1)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852288319	ED	On-Demand	Anodyne	GPR119	40	39
CN(Cc1cnc[nH]1)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852288320	ED	On-Demand	Anodyne	GPR119	40	39
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852288425	GE	On-Demand	Reactive	EPHX2	16	45
O=C(NNC(=O)N1CCC(c2ccco2)CC1)[C@H]1OCC[C@H]1c1ccccc1	ZINC000852288437	GF	On-Demand	Reactive	EPHX2	18	42
COCCONC(=O)NCc1cccnc1N1CCCC1	ZINC000852288438	CD	On-Demand	Anodyne	TRPV1	15	40
COCCONC(=O)NCc1cccnc1N1CCCC1	ZINC000852288438	CD	On-Demand	Anodyne	SCN2A	19	48
COCCONC(=O)NCc1cccnc1N1CCCC1	ZINC000852288438	CD	On-Demand	Anodyne	SCN10A	30	52
CCC(CC)(CNC(=O)NOCCOC)c1ccc(F)cc1	ZINC000852288440	DF	On-Demand	Anodyne	CACNA1G	39	45
COCCONC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852288459	EE	On-Demand	Anodyne	ROCK2	27	40
CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1	ZINC000852288470	EF	On-Demand	Bother	COLA	106	44
CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1	ZINC000852288471	EF	On-Demand	Bother	COLA	106	44
CN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CO)Cc1ccccc1	ZINC000852288474	GF	On-Demand	Anodyne	AMY2	43	30
CN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CO)Cc1ccccc1	ZINC000852288474	GF	On-Demand	Anodyne	REN	40	37
CN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CO)Cc1ccccc1	ZINC000852288474	GF	On-Demand	Anodyne	GPR119	39	44
CN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CO)Cc1ccccc1	ZINC000852288475	GF	On-Demand	Anodyne	AMY2	43	30
CN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CO)Cc1ccccc1	ZINC000852288475	GF	On-Demand	Anodyne	REN	40	37
CN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CO)Cc1ccccc1	ZINC000852288475	GF	On-Demand	Anodyne	GPR119	39	44
CN(Cc1cnc[nH]1)C[C@](C)(O)c1ccc(Br)cc1Cl	ZINC000852288478	FG	On-Demand	Anodyne	TAAR1	26	43
CN(Cc1cnc[nH]1)C[C@@](C)(O)c1ccc(Br)cc1Cl	ZINC000852288479	FG	On-Demand	Anodyne	TAAR1	26	43
CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cnc[nH]1	ZINC000852288486	CF	On-Demand	Bother	TAAR1	25	44
CN(Cc1cnc(Cl)c(F)c1)Cc1cnc[nH]1	ZINC000852288488	CE	On-Demand	Anodyne	TAAR1	25	41
CN(Cc1cn(Cc2ccccc2)nn1)Cc1cnc[nH]1	ZINC000852288494	CD	On-Demand	Anodyne	TAAR1	26	44
CN(CCCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1cnc[nH]1	ZINC000852288499	EG	On-Demand	Anodyne	GPR119	46	44
COc1ccc(N2CC[C@H](NC(=O)NCc3c(F)cc(F)c(F)c3F)C2)cc1	ZINC000852288503	GG	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3c(F)cc(F)c(F)c3F)C2)cc1	ZINC000852288503	GG	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCc3c(F)cc(F)c(F)c3F)C2)cc1	ZINC000852288503	GG	On-Demand	Clean	EPHX2	23	41
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)Cc1cnc[nH]1	ZINC000852288508	DF	On-Demand	Anodyne	GPR119	49	42
CN(CC1CN(C(=O)OC(C)(C)C)C1)[C@H](CO)Cc1ccccc1	ZINC000852288509	EE	On-Demand	Anodyne	FPR1	42	34
CN(CC1CN(C(=O)OC(C)(C)C)C1)[C@@H](CO)Cc1ccccc1	ZINC000852288510	EE	On-Demand	Anodyne	FPR1	42	34
CN(CCC(=O)C1CC1)Cc1cnc[nH]1	ZINC000852288513	BD	On-Demand	Anodyne	TAAR1	25	40
CN(CC=C(Cl)Cl)Cc1cnc[nH]1	ZINC000852288516	BE	On-Demand	Anodyne	TAAR1	26	40
O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852288523	EE	On-Demand	Anodyne	EPHX2	24	46
CN(CCOC(=O)Cc1ccccc1)Cc1cnc[nH]1	ZINC000852288524	CD	On-Demand	Anodyne	TAAR1	24	42
CN(Cc1cnc[nH]1)C[C@H](O)c1ccccc1Cl	ZINC000852288525	CE	On-Demand	Anodyne	TAAR1	28	44
CN(C)c1ccc(NC(=O)CCN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852288544	FF	On-Demand	Anodyne	LTA4H	42	40
CN(C)c1ccc(NC(=O)CCN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852288544	FF	On-Demand	Anodyne	NPY5R	25	44
CN(C)c1ccc(NC(=O)CCN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852288545	FF	On-Demand	Anodyne	LTA4H	42	40
CN(C)c1ccc(NC(=O)CCN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852288545	FF	On-Demand	Anodyne	NPY5R	25	44
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2cnc[nH]2)c1	ZINC000852288547	DC	On-Demand	Reactive	KCNK3	56	40
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2cnc[nH]2)c1	ZINC000852288547	DC	On-Demand	Reactive	KCNK9	45	40
CN(Cc1cnc[nH]1)CC(F)(F)Br	ZINC000852288552	CD	On-Demand	Anodyne	TAAR1	26	41
CCOC(=O)N1CCC(NC(=O)CN(C)[C@@H](CO)Cc2ccccc2)CC1	ZINC000852288573	GD	On-Demand	Anodyne	CHRM1	20	47
CCOC(=O)N1CCC(NC(=O)CN(C)[C@@H](CO)Cc2ccccc2)CC1	ZINC000852288573	GD	On-Demand	Anodyne	P2RY12	51	35
CCOC(=O)N1CCC(NC(=O)CN(C)[C@@H](CO)Cc2ccccc2)CC1	ZINC000852288573	GD	On-Demand	Anodyne	SIGMAR1	17	41
CCOC(=O)N1CCC(NC(=O)CN(C)[C@@H](CO)Cc2ccccc2)CC1	ZINC000852288573	GD	On-Demand	Anodyne	TIMP3	51	34
CCOC(=O)N1CCC(NC(=O)CN(C)[C@@H](CO)Cc2ccccc2)CC1	ZINC000852288573	GD	On-Demand	Anodyne	CCR8	32	44
CCOC(=O)N1CCC(NC(=O)CN(C)[C@H](CO)Cc2ccccc2)CC1	ZINC000852288574	GD	On-Demand	Anodyne	CHRM1	20	47
CCOC(=O)N1CCC(NC(=O)CN(C)[C@H](CO)Cc2ccccc2)CC1	ZINC000852288574	GD	On-Demand	Anodyne	P2RY12	51	35
CCOC(=O)N1CCC(NC(=O)CN(C)[C@H](CO)Cc2ccccc2)CC1	ZINC000852288574	GD	On-Demand	Anodyne	SIGMAR1	17	41
CCOC(=O)N1CCC(NC(=O)CN(C)[C@H](CO)Cc2ccccc2)CC1	ZINC000852288574	GD	On-Demand	Anodyne	TIMP3	51	34
CCOC(=O)N1CCC(NC(=O)CN(C)[C@H](CO)Cc2ccccc2)CC1	ZINC000852288574	GD	On-Demand	Anodyne	CCR8	32	44
OCCOCCN(Cc1cc2cc(Cl)ccc2nc1Cl)C1CCC1	ZINC000852288609	FH	On-Demand	Anodyne	PYGL	23	45
CN(C[C@@H](O)c1ccc(F)cc1)[C@@H](CO)Cc1ccccc1	ZINC000852288629	DE	On-Demand	Anodyne	AOC3	16	50
CN(C[C@@H](O)c1ccc(F)cc1)[C@H](CO)Cc1ccccc1	ZINC000852288631	DE	On-Demand	Anodyne	AOC3	16	50
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	LTA4H	20	40
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	KLK3	55	33
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	CTSB	31	43
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	PAPA1_CARPA	30	43
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	CYSP_TRYCR	42	38
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	CTSK	15	43
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	CTSL	29	43
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	CAPNS1	61	36
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	CAPN1	47	39
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	CAPN2	50	38
CN(CCC(=O)OCc1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852288670	EF	On-Demand	Anodyne	NPR	73	35
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	LTA4H	20	40
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	KLK3	55	33
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	CTSB	31	43
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	PAPA1_CARPA	30	43
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	CYSP_TRYCR	42	38
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	CTSK	15	43
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	CTSL	29	43
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	CAPNS1	61	36
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	CAPN1	47	39
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	CAPN2	50	38
CN(CCC(=O)OCc1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852288671	EF	On-Demand	Anodyne	NPR	73	35
CN(Cc1cnc[nH]1)Cc1ccc(Cl)nc1C(F)(F)F	ZINC000852288682	DG	On-Demand	Anodyne	TAAR1	25	40
CN(C/C(Cl)=C\Cl)Cc1cnc[nH]1	ZINC000852288683	BE	On-Demand	Anodyne	TAAR1	26	40
CN(C/C(Cl)=C/Cl)Cc1cnc[nH]1	ZINC000852288684	BE	On-Demand	Anodyne	TAAR1	26	40
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccc(Cl)cc1Cl	ZINC000852288705	DF	On-Demand	Anodyne	TAAR1	28	46
CN(Cc1cnc[nH]1)C[C@H](O)c1ccc(Cl)cc1Cl	ZINC000852288706	DF	On-Demand	Anodyne	TAAR1	28	46
CN(Cc1cnc[nH]1)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852288711	CC	On-Demand	Anodyne	TAAR1	25	44
CN(Cc1cnc[nH]1)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852288712	CC	On-Demand	Anodyne	TAAR1	25	44
CN(Cc1cnc[nH]1)C[C@@H](O)c1ccc(Cl)cc1	ZINC000852288713	CE	On-Demand	Anodyne	TAAR1	29	53
CN(Cc1cnc[nH]1)C[C@H](O)c1ccc(Cl)cc1	ZINC000852288714	CE	On-Demand	Anodyne	TAAR1	29	53
COCCN(CCF)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1	ZINC000852288727	EF	On-Demand	Anodyne	ACKR3	63	33
COCCN(CCF)C(=O)NC[C@H]1CCCN(c2ccccc2)C1	ZINC000852288728	EF	On-Demand	Anodyne	ACKR3	63	33
CN(Cc1cnc[nH]1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852288731	DF	On-Demand	Anodyne	TAAR1	24	43
CN(Cc1cnc[nH]1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852288731	DF	On-Demand	Anodyne	LUCI_PHOPY	83	49
CN(Cc1cnc[nH]1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852288732	DF	On-Demand	Anodyne	TAAR1	24	43
CN(Cc1cnc[nH]1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852288732	DF	On-Demand	Anodyne	LUCI_PHOPY	83	49
CN(Cc1cnc[nH]1)Cc1nc(Cl)ccc1Cl	ZINC000852288733	CF	On-Demand	Anodyne	TAAR1	28	47
CN(C[C@@H](O)c1ccc2ccccc2c1)[C@H](CO)Cc1ccccc1	ZINC000852288751	EG	On-Demand	Anodyne	AOC3	15	57
CN(C[C@@H](O)c1ccc2ccccc2c1)[C@@H](CO)Cc1ccccc1	ZINC000852288752	EG	On-Demand	Anodyne	AOC3	15	57
CN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)[C@@H](CO)Cc1ccccc1	ZINC000852288788	FD	On-Demand	Anodyne	ADRB3	18	49
CN(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H](CO)Cc1ccccc1	ZINC000852288790	FD	On-Demand	Anodyne	ADRB3	18	49
CC[C@@H](NC(=O)CON=Cc1cc(OC)ccc1OC)c1ccc(Cl)cc1	ZINC000852288815	GH	On-Demand	Mild	CYSP_PLAFA	31	40
CC[C@H](NC(=O)CON=Cc1cc(OC)ccc1OC)c1ccc(Cl)cc1	ZINC000852288816	GH	On-Demand	Mild	CYSP_PLAFA	31	40
CN(C[C@@H](O)c1ccc(Br)cc1)[C@@H](CO)Cc1ccccc1	ZINC000852288847	FG	On-Demand	Anodyne	AOC3	15	42
CN(C[C@@H](O)c1ccc(Br)cc1)[C@H](CO)Cc1ccccc1	ZINC000852288849	FG	On-Demand	Anodyne	AOC3	15	42
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	MME	42	39
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	CTSB	34	43
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	PAPA1_CARPA	53	47
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	CCKAR	45	36
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	CTSL	19	47
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	TACR3	19	48
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	REN	40	40
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	CAPN1	17	40
CN(CCNC(=O)OC(C)(C)C)[C@H](CO)Cc1ccccc1	ZINC000852288872	DE	On-Demand	Anodyne	FPR1	53	41
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	MME	42	39
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	CTSB	34	43
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	PAPA1_CARPA	53	47
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	CCKAR	45	36
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	CTSL	19	47
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	TACR3	19	48
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	REN	40	40
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	CAPN1	17	40
CN(CCNC(=O)OC(C)(C)C)[C@@H](CO)Cc1ccccc1	ZINC000852288873	DE	On-Demand	Anodyne	FPR1	53	41
CN(Cc1cccc(Br)n1)Cc1cnc[nH]1	ZINC000852288880	CE	On-Demand	Anodyne	TAAR1	26	42
CN(CCC(=O)N1CCCC1)[C@H](CO)Cc1ccccc1	ZINC000852288893	CD	On-Demand	Anodyne	MME	26	42
CN(CCC(=O)N1CCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852288894	CD	On-Demand	Anodyne	MME	26	42
O=C(NC[C@H]1CCCN(c2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852288904	FG	On-Demand	Reactive	SLC6A1	50	33
CN(CCC(=O)Nc1ccc(N(C)C)cc1)Cc1cnc[nH]1	ZINC000852288931	DD	On-Demand	Anodyne	TAAR1	25	40
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CO)Cc1ccccc1	ZINC000852288939	FG	On-Demand	Anodyne	GRIN2B	46	39
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CO)Cc1ccccc1	ZINC000852288939	FG	On-Demand	Anodyne	FPR1	41	35
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CO)Cc1ccccc1	ZINC000852288939	FG	On-Demand	Anodyne	GPR119	42	41
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CO)Cc1ccccc1	ZINC000852288939	FG	On-Demand	Anodyne	SFRP1	19	40
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CO)Cc1ccccc1	ZINC000852288940	FG	On-Demand	Anodyne	GRIN2B	46	39
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CO)Cc1ccccc1	ZINC000852288940	FG	On-Demand	Anodyne	FPR1	41	35
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CO)Cc1ccccc1	ZINC000852288940	FG	On-Demand	Anodyne	GPR119	42	41
CN(CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CO)Cc1ccccc1	ZINC000852288940	FG	On-Demand	Anodyne	SFRP1	19	40
COc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852288941	CF	On-Demand	Anodyne	G6PC	26	43
COc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852288941	CF	On-Demand	Anodyne	MMP3	15	43
COc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852288941	CF	On-Demand	Anodyne	NPY5R	17	43
COc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852288941	CF	On-Demand	Anodyne	MMP1	18	40
COc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1	ZINC000852288941	CF	On-Demand	Anodyne	AOC3	16	40
COc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852288942	CF	On-Demand	Anodyne	G6PC	26	43
COc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852288942	CF	On-Demand	Anodyne	MMP3	15	43
COc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852288942	CF	On-Demand	Anodyne	NPY5R	17	43
COc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852288942	CF	On-Demand	Anodyne	MMP1	18	40
COc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1	ZINC000852288942	CF	On-Demand	Anodyne	AOC3	16	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000852288947	GG	On-Demand	Clean	CCR3	43	35
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000852288947	GG	On-Demand	Clean	EPHX2	17	50
O=C(N[C@@H]1C=CCC1)N[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000852288954	CF	On-Demand	Anodyne	EPHX2	15	41
O=C(N[C@H]1C=CCC1)N[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000852288955	CF	On-Demand	Anodyne	EPHX2	15	41
CN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cnc[nH]1	ZINC000852288960	FD	On-Demand	Anodyne	GPR119	30	41
CN(CC(=O)NCCC#N)[C@H](CO)Cc1ccccc1	ZINC000852289034	CC	On-Demand	Mild	MME	40	38
CN(CC(=O)NCCC#N)[C@H](CO)Cc1ccccc1	ZINC000852289034	CC	On-Demand	Mild	CTSB	40	37
CN(CC(=O)NCCC#N)[C@H](CO)Cc1ccccc1	ZINC000852289034	CC	On-Demand	Mild	PAPA1_CARPA	42	41
CN(CC(=O)NCCC#N)[C@H](CO)Cc1ccccc1	ZINC000852289034	CC	On-Demand	Mild	CTSL	19	43
CN(CC(=O)NCCC#N)[C@@H](CO)Cc1ccccc1	ZINC000852289035	CC	On-Demand	Mild	MME	40	38
CN(CC(=O)NCCC#N)[C@@H](CO)Cc1ccccc1	ZINC000852289035	CC	On-Demand	Mild	CTSB	40	37
CN(CC(=O)NCCC#N)[C@@H](CO)Cc1ccccc1	ZINC000852289035	CC	On-Demand	Mild	PAPA1_CARPA	42	41
CN(CC(=O)NCCC#N)[C@@H](CO)Cc1ccccc1	ZINC000852289035	CC	On-Demand	Mild	CTSL	19	43
CN(Cc1cnc[nH]1)Cc1cccc([N+](=O)[O-])c1Br	ZINC000852289075	EF	On-Demand	Bother	COLA	68	32
C#CCNC(=O)CCN(C)[C@H](CO)Cc1ccccc1	ZINC000852289082	CC	On-Demand	Mild	MME	47	36
C#CCNC(=O)CCN(C)[C@@H](CO)Cc1ccccc1	ZINC000852289083	CC	On-Demand	Mild	MME	47	36
CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](CO)Cc1ccccc1	ZINC000852289101	EF	On-Demand	Anodyne	GPR119	37	40
CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](CO)Cc1ccccc1	ZINC000852289102	EF	On-Demand	Anodyne	GPR119	37	40
CN(C[C@@H](O)c1cccnc1)[C@H](CO)Cc1ccccc1	ZINC000852289161	CD	On-Demand	Anodyne	ADRB3	36	44
CN(C[C@@H](O)c1cccnc1)[C@H](CO)Cc1ccccc1	ZINC000852289161	CD	On-Demand	Anodyne	CYP51A1	18	43
CN(C[C@@H](O)c1cccnc1)[C@@H](CO)Cc1ccccc1	ZINC000852289162	CD	On-Demand	Anodyne	ADRB3	36	44
CN(C[C@@H](O)c1cccnc1)[C@@H](CO)Cc1ccccc1	ZINC000852289162	CD	On-Demand	Anodyne	CYP51A1	18	43
Cc1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2OC(C)C)c1	ZINC000852289205	EI	On-Demand	Mild	KCNK3	102	53
Cc1cccc(NC(=O)[C@H](C)ON=Cc2ccccc2OC(C)C)c1	ZINC000852289205	EI	On-Demand	Mild	KCNK9	84	42
Cc1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2OC(C)C)c1	ZINC000852289206	EI	On-Demand	Mild	KCNK3	102	53
Cc1cccc(NC(=O)[C@@H](C)ON=Cc2ccccc2OC(C)C)c1	ZINC000852289206	EI	On-Demand	Mild	KCNK9	84	42
CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H](CO)Cc1ccccc1	ZINC000852289217	DE	On-Demand	Mild	CTRB_BOVIN	45	32
CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H](CO)Cc1ccccc1	ZINC000852289217	DE	On-Demand	Mild	AOC3	18	42
CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](CO)Cc1ccccc1	ZINC000852289218	DE	On-Demand	Mild	CTRB_BOVIN	45	32
CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](CO)Cc1ccccc1	ZINC000852289218	DE	On-Demand	Mild	AOC3	18	42
COc1ccc(N2CC[C@H](NC(=O)NCCC3(C)CC3)C2)cc1	ZINC000852289224	DF	On-Demand	Clean	MTNR1A	20	46
COc1ccc(N2CC[C@H](NC(=O)NCCC3(C)CC3)C2)cc1	ZINC000852289224	DF	On-Demand	Clean	MTNR1B	16	46
CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)Cc1ccccc1	ZINC000852289236	DF	On-Demand	Bother	COLA	76	35
CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)Cc1ccccc1	ZINC000852289238	DF	On-Demand	Bother	COLA	76	35
CN(C[C@@H](O)c1ccccc1)[C@@H](CO)Cc1ccccc1	ZINC000852289241	CE	On-Demand	Anodyne	AOC3	31	51
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](CO)Cc1ccccc1	ZINC000852289242	GE	On-Demand	Anodyne	MTOR	45	36
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](CO)Cc1ccccc1	ZINC000852289242	GE	On-Demand	Anodyne	STAT6	47	37
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](CO)Cc1ccccc1	ZINC000852289244	GE	On-Demand	Anodyne	MTOR	45	36
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](CO)Cc1ccccc1	ZINC000852289244	GE	On-Demand	Anodyne	STAT6	47	37
CN(C[C@@H](O)c1ccccc1)[C@H](CO)Cc1ccccc1	ZINC000852289245	CE	On-Demand	Anodyne	AOC3	31	51
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)C2)N1	ZINC000852289246	EE	On-Demand	Anodyne	EPHX2	20	45
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cc(F)c(Cl)cc2F)O1	ZINC000852289268	GD	On-Demand	Reactive	P2RX7	61	39
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cc(F)c(Cl)cc2F)O1	ZINC000852289273	GD	On-Demand	Reactive	P2RX7	61	39
CN(CCC(=O)C(C)(C)C)Cc1cnc[nH]1	ZINC000852289283	BD	On-Demand	Anodyne	TAAR1	26	41
CC(=O)Nc1ccc2c(CN(C)[C@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289348	GF	On-Demand	Anodyne	MAOB	20	43
CC(=O)Nc1ccc2c(CN(C)[C@@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289349	GF	On-Demand	Anodyne	MAOB	20	43
CCOC(=O)N1CCN(C(=O)CN(C)[C@H](CO)Cc2ccccc2)CC1	ZINC000852289374	FC	On-Demand	Anodyne	P2RY12	76	41
CCOC(=O)N1CCN(C(=O)CN(C)[C@@H](CO)Cc2ccccc2)CC1	ZINC000852289375	FC	On-Demand	Anodyne	P2RY12	76	41
CN(CC(=O)NC1CCCCCCC1)[C@H](CO)Cc1ccccc1	ZINC000852289392	EF	On-Demand	Anodyne	MME	59	39
CN(CC(=O)NC1CCCCCCC1)[C@H](CO)Cc1ccccc1	ZINC000852289392	EF	On-Demand	Anodyne	SIGMAR1	15	41
CN(CC(=O)NC1CCCCCCC1)[C@H](CO)Cc1ccccc1	ZINC000852289392	EF	On-Demand	Anodyne	TIMP3	32	40
CN(CC(=O)NC1CCCCCCC1)[C@H](CO)Cc1ccccc1	ZINC000852289392	EF	On-Demand	Anodyne	AMY2	44	31
CN(CC(=O)NC1CCCCCCC1)[C@H](CO)Cc1ccccc1	ZINC000852289392	EF	On-Demand	Anodyne	FAAH	17	41
CN(CC(=O)NC1CCCCCCC1)[C@H](CO)Cc1ccccc1	ZINC000852289392	EF	On-Demand	Anodyne	EPHX2	18	50
CN(CC(=O)NC1CCCCCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852289393	EF	On-Demand	Anodyne	MME	59	39
CN(CC(=O)NC1CCCCCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852289393	EF	On-Demand	Anodyne	SIGMAR1	15	41
CN(CC(=O)NC1CCCCCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852289393	EF	On-Demand	Anodyne	TIMP3	32	40
CN(CC(=O)NC1CCCCCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852289393	EF	On-Demand	Anodyne	AMY2	44	31
CN(CC(=O)NC1CCCCCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852289393	EF	On-Demand	Anodyne	FAAH	17	41
CN(CC(=O)NC1CCCCCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852289393	EF	On-Demand	Anodyne	EPHX2	18	50
NC(=O)[C@](O)(CN(CCOCCO)C1CCC1)c1ccccc1	ZINC000852289409	DC	On-Demand	Anodyne	AMY2	60	35
NC(=O)[C@@](O)(CN(CCOCCO)C1CCC1)c1ccccc1	ZINC000852289410	DC	On-Demand	Anodyne	AMY2	60	35
C#CCNC(=O)CN(C)[C@H](CO)Cc1ccccc1	ZINC000852289441	CC	On-Demand	Mild	MME	48	38
C#CCNC(=O)CN(C)[C@@H](CO)Cc1ccccc1	ZINC000852289442	CC	On-Demand	Mild	MME	48	38
CN(C[C@H](O)CN1CCCC1)[C@H](CO)Cc1ccccc1	ZINC000852289519	CC	On-Demand	Anodyne	OPRK1	15	45
CN(C[C@H](O)CN1CCCC1)[C@H](CO)Cc1ccccc1	ZINC000852289519	CC	On-Demand	Anodyne	ABCB1	39	40
CN(C[C@H](O)CN1CCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852289520	CC	On-Demand	Anodyne	OPRK1	15	45
CN(C[C@H](O)CN1CCCC1)[C@@H](CO)Cc1ccccc1	ZINC000852289520	CC	On-Demand	Anodyne	ABCB1	39	40
CN(C[C@@H](O)c1cccc(Cl)c1)[C@@H](CO)Cc1ccccc1	ZINC000852289528	DF	On-Demand	Anodyne	ADRB1	23	45
CN(C[C@@H](O)c1cccc(Cl)c1)[C@@H](CO)Cc1ccccc1	ZINC000852289528	DF	On-Demand	Anodyne	ADRB3	42	45
CN(C[C@@H](O)c1cccc(Cl)c1)[C@@H](CO)Cc1ccccc1	ZINC000852289528	DF	On-Demand	Anodyne	AOC3	20	40
CN(C[C@@H](O)c1cccc(Cl)c1)[C@H](CO)Cc1ccccc1	ZINC000852289530	DF	On-Demand	Anodyne	ADRB1	23	45
CN(C[C@@H](O)c1cccc(Cl)c1)[C@H](CO)Cc1ccccc1	ZINC000852289530	DF	On-Demand	Anodyne	ADRB3	42	45
CN(C[C@@H](O)c1cccc(Cl)c1)[C@H](CO)Cc1ccccc1	ZINC000852289530	DF	On-Demand	Anodyne	AOC3	20	40
CN(CC(=O)NC1CCC2(CC1)OCCO2)[C@@H](CO)Cc1ccccc1	ZINC000852289539	FD	On-Demand	Anodyne	TIMP3	44	33
CN(CC(=O)NC1CCC2(CC1)OCCO2)[C@@H](CO)Cc1ccccc1	ZINC000852289539	FD	On-Demand	Anodyne	C5AR1	31	44
CN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H](CO)Cc1ccccc1	ZINC000852289540	FD	On-Demand	Anodyne	TIMP3	44	33
CN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H](CO)Cc1ccccc1	ZINC000852289540	FD	On-Demand	Anodyne	C5AR1	31	44
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@H](CO)Cc1ccccc1	ZINC000852289553	FE	On-Demand	Clean	CTSB	24	46
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)[C@@H](CO)Cc1ccccc1	ZINC000852289554	FE	On-Demand	Clean	CTSB	24	46
COc1ccc(N2CCN(C(=O)CN(C)[C@H](CO)Cc3ccccc3)CC2)cc1	ZINC000852289568	GD	On-Demand	Clean	BMP1	16	40
COc1ccc(N2CCN(C(=O)CN(C)[C@H](CO)Cc3ccccc3)CC2)cc1	ZINC000852289568	GD	On-Demand	Clean	MMP9	17	40
COc1ccc(N2CCN(C(=O)CN(C)[C@H](CO)Cc3ccccc3)CC2)cc1	ZINC000852289568	GD	On-Demand	Clean	MMP1	19	40
COc1ccc(N2CCN(C(=O)CN(C)[C@@H](CO)Cc3ccccc3)CC2)cc1	ZINC000852289569	GD	On-Demand	Clean	BMP1	16	40
COc1ccc(N2CCN(C(=O)CN(C)[C@@H](CO)Cc3ccccc3)CC2)cc1	ZINC000852289569	GD	On-Demand	Clean	MMP9	17	40
COc1ccc(N2CCN(C(=O)CN(C)[C@@H](CO)Cc3ccccc3)CC2)cc1	ZINC000852289569	GD	On-Demand	Clean	MMP1	19	40
COc1ccc2c(CN(C)[C@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289572	FF	On-Demand	Anodyne	CYP19A1	16	44
COc1ccc2c(CN(C)[C@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289572	FF	On-Demand	Anodyne	CYP11B1	16	42
COc1ccc2c(CN(C)[C@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289572	FF	On-Demand	Anodyne	ACHE	17	42
COc1ccc2c(CN(C)[C@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289572	FF	On-Demand	Anodyne	MAOB	46	48
COc1ccc2c(CN(C)[C@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289572	FF	On-Demand	Anodyne	HSD17B3	17	42
COc1ccc2c(CN(C)[C@@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289573	FF	On-Demand	Anodyne	CYP19A1	16	44
COc1ccc2c(CN(C)[C@@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289573	FF	On-Demand	Anodyne	CYP11B1	16	42
COc1ccc2c(CN(C)[C@@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289573	FF	On-Demand	Anodyne	ACHE	17	42
COc1ccc2c(CN(C)[C@@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289573	FF	On-Demand	Anodyne	MAOB	46	48
COc1ccc2c(CN(C)[C@@H](CO)Cc3ccccc3)cc(=O)oc2c1	ZINC000852289573	FF	On-Demand	Anodyne	HSD17B3	17	42
O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CCN(C2CC2)CC1	ZINC000852289608	IE	On-Demand	Anodyne	OPRL1	21	40
O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CCN(C2CC2)CC1	ZINC000852289608	IE	On-Demand	Anodyne	SIGMAR1	16	47
CN(CCOc1cccc(F)c1)[C@H](CO)Cc1ccccc1	ZINC000852289680	DF	On-Demand	Anodyne	PDS	34	41
CN(CCOc1cccc(F)c1)[C@@H](CO)Cc1ccccc1	ZINC000852289681	DF	On-Demand	Anodyne	PDS	34	41
C=C[C@H](CO)NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852289715	CC	On-Demand	Mild	CTSK	18	45
C=C[C@H](CO)NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852289716	CC	On-Demand	Mild	CTSK	18	45
COCCC[C@@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852289763	FH	On-Demand	Anodyne	MME	47	39
COCCC[C@@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852289763	FH	On-Demand	Anodyne	NPFFR1	48	32
COCCC[C@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852289764	FH	On-Demand	Anodyne	MME	47	39
COCCC[C@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852289764	FH	On-Demand	Anodyne	NPFFR1	48	32
C[C@@H](CNC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)NC(=O)OC(C)(C)C	ZINC000852289785	GG	On-Demand	Anodyne	NPY1R	27	40
C[C@@H](CNC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)NC(=O)OC(C)(C)C	ZINC000852289785	GG	On-Demand	Anodyne	CCKAR	17	41
C#C[C@@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289816	FE	On-Demand	Mild	DRD4	21	44
C#C[C@@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289816	FE	On-Demand	Mild	ACHE	36	40
C#C[C@@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289816	FE	On-Demand	Mild	HTR4	46	41
C#C[C@@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289816	FE	On-Demand	Mild	SIGMAR1	34	43
C#C[C@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289817	FE	On-Demand	Mild	DRD4	21	44
C#C[C@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289817	FE	On-Demand	Mild	ACHE	36	40
C#C[C@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289817	FE	On-Demand	Mild	HTR4	46	41
C#C[C@H](NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289817	FE	On-Demand	Mild	SIGMAR1	34	43
C#C[C@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289818	FE	On-Demand	Mild	DRD4	21	44
C#C[C@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289818	FE	On-Demand	Mild	ACHE	36	40
C#C[C@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289818	FE	On-Demand	Mild	HTR4	46	41
C#C[C@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289818	FE	On-Demand	Mild	SIGMAR1	34	43
C#C[C@@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289819	FE	On-Demand	Mild	DRD4	21	44
C#C[C@@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289819	FE	On-Demand	Mild	ACHE	36	40
C#C[C@@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289819	FE	On-Demand	Mild	HTR4	46	41
C#C[C@@H](NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852289819	FE	On-Demand	Mild	SIGMAR1	34	43
O=[N+]([O-])c1ccc([C@@H](O)CN(CCOCCO)C2CCC2)cc1	ZINC000852289831	DD	On-Demand	Bother	SLC27A4	43	32
O=[N+]([O-])c1ccc([C@H](O)CN(CCOCCO)C2CCC2)cc1	ZINC000852289832	DD	On-Demand	Bother	SLC27A4	43	32
O=C(CN(CCOCCO)C1CCC1)Nc1cccnc1Cl	ZINC000852289867	ED	On-Demand	Anodyne	G2YM83_BOTF4	58	33
COCCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852289877	FC	On-Demand	Reactive	PAPA1_CARPA	44	36
COCCC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852289877	FC	On-Demand	Reactive	MMP11	49	31
COCCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852289878	FC	On-Demand	Reactive	PAPA1_CARPA	44	36
COCCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852289878	FC	On-Demand	Reactive	MMP11	49	31
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCC(F)F	ZINC000852289944	CD	On-Demand	Anodyne	SLC6A3	18	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NOCC(F)F	ZINC000852289944	CD	On-Demand	Anodyne	SIGMAR1	26	42
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCC(F)F	ZINC000852289945	CD	On-Demand	Anodyne	SLC6A3	18	41
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOCC(F)F	ZINC000852289945	CD	On-Demand	Anodyne	SIGMAR1	26	42
O=C(NOCC(F)F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852289946	EF	On-Demand	Anodyne	SCD1	17	42
O=C(NOCC(F)F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852289946	EF	On-Demand	Anodyne	SCD	29	42
O=C(NOCC(F)F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852289946	EF	On-Demand	Anodyne	TRPM8	30	56
CC[C@H](C)N(CC)CCCNC(=O)OC(C)(C)C	ZINC000852289959	CG	On-Demand	Anodyne	CTSK	15	45
CC[C@H](C)N(CC)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852289976	CD	On-Demand	Anodyne	AMY2	57	37
CC[C@H](C)N(CC)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852289977	CD	On-Demand	Anodyne	AMY2	57	37
O=C(NOCC(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852289987	EE	On-Demand	Anodyne	AMY2	43	30
O=C(NOCC(F)F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852289987	EE	On-Demand	Anodyne	SSTR3	34	47
COCCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@H]1CN(C)C[C@H](C)O1	ZINC000852290017	GD	On-Demand	Reactive	TACR2	48	32
COCCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@H](C)O1	ZINC000852290018	GD	On-Demand	Reactive	TACR2	48	32
COCCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC000852290019	GD	On-Demand	Reactive	TACR2	48	32
COCCC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN(C)C[C@@H](C)O1	ZINC000852290020	GD	On-Demand	Reactive	TACR2	48	32
COc1ccc2c(CN(CCOCCO)C3CCC3)cc(=O)oc2c1	ZINC000852290027	EE	On-Demand	Anodyne	MAOA	47	34
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290060	GE	On-Demand	Anodyne	CHRM2	15	43
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290060	GE	On-Demand	Anodyne	DRD4	34	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290060	GE	On-Demand	Anodyne	ACHE	40	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290060	GE	On-Demand	Anodyne	HTR4	48	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290060	GE	On-Demand	Anodyne	SIGMAR1	39	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290061	GE	On-Demand	Anodyne	CHRM2	15	43
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290061	GE	On-Demand	Anodyne	DRD4	34	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290061	GE	On-Demand	Anodyne	ACHE	40	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290061	GE	On-Demand	Anodyne	HTR4	48	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852290061	GE	On-Demand	Anodyne	SIGMAR1	39	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(C)n3)C2)cc1	ZINC000852290077	FF	On-Demand	Clean	MTNR1A	44	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(C)n3)C2)cc1	ZINC000852290077	FF	On-Demand	Clean	MTNR1B	35	47
C[C@@H](CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852290080	GF	On-Demand	Anodyne	FPR1	45	36
C[C@@H](CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852290080	GF	On-Demand	Anodyne	SFRP1	79	36
C[C@@H](CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852290080	GF	On-Demand	Anodyne	WNT3	58	36
C[C@@H](CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852290082	GF	On-Demand	Anodyne	FPR1	45	36
C[C@@H](CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852290082	GF	On-Demand	Anodyne	SFRP1	79	36
C[C@@H](CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1)NC(=O)OC(C)(C)C	ZINC000852290082	GF	On-Demand	Anodyne	WNT3	58	36
COCCCC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852290088	GG	On-Demand	Anodyne	BIRC8	47	34
COCCCC[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852290089	GG	On-Demand	Anodyne	BIRC8	47	34
COCCCC[C@H](NC(=O)NNc1ccc(Cl)cn1)c1ccccc1	ZINC000852290102	FH	On-Demand	Reactive	METAP1	42	37
COCCCC[C@H](NC(=O)NNc1ccc(Cl)cn1)c1ccccc1	ZINC000852290102	FH	On-Demand	Reactive	UTS2	54	41
COCCCC[C@@H](NC(=O)NNc1ccc(Cl)cn1)c1ccccc1	ZINC000852290103	FH	On-Demand	Reactive	METAP1	42	37
COCCCC[C@@H](NC(=O)NNc1ccc(Cl)cn1)c1ccccc1	ZINC000852290103	FH	On-Demand	Reactive	UTS2	54	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)F	ZINC000852290145	ED	On-Demand	Anodyne	ACHE	28	46
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)F	ZINC000852290145	ED	On-Demand	Anodyne	HTR4	37	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)F	ZINC000852290145	ED	On-Demand	Anodyne	SIGMAR1	27	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)F	ZINC000852290145	ED	On-Demand	Anodyne	CCR3	28	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOCC(F)F	ZINC000852290145	ED	On-Demand	Anodyne	CACNA1I	67	41
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(O)c(Cl)cc12	ZINC000852290155	DH	On-Demand	Anodyne	HSD17B3	18	42
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCC3(c4ccccc4)CC3)cc2)C[C@@H](C)O1	ZINC000852290180	JE	On-Demand	Anodyne	KCNA3	43	34
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCC3(c4ccccc4)CC3)cc2)C[C@H](C)O1	ZINC000852290181	JE	On-Demand	Anodyne	KCNA3	43	34
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCC3(c4ccccc4)CC3)cc2)C[C@@H](C)O1	ZINC000852290182	JE	On-Demand	Anodyne	KCNA3	43	34
COc1cccc([C@]2(C)CCN(C(=O)NOCC(F)F)C2)c1	ZINC000852290186	DF	On-Demand	Anodyne	DRD4	40	30
O=C(NOCC(F)F)N1CCC(c2ccon2)CC1	ZINC000852290193	CD	On-Demand	Anodyne	ETHR	56	33
NS(=O)(=O)c1cc(CNC(=O)NOCC(F)F)ccc1F	ZINC000852290212	EC	On-Demand	Anodyne	CA2	18	40
NS(=O)(=O)c1cc(CNC(=O)NOCC(F)F)ccc1F	ZINC000852290212	EC	On-Demand	Anodyne	CA1	17	40
NS(=O)(=O)c1cc(CNC(=O)NOCC(F)F)ccc1F	ZINC000852290212	EC	On-Demand	Anodyne	CA4	16	40
O=C(NO[C@@H]1CCCCO1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852290228	DE	On-Demand	Anodyne	EPHX2	29	41
O=C(NO[C@H]1CCCCO1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852290229	DE	On-Demand	Anodyne	EPHX2	29	41
O=C(NCC1CCN(CC2CC2)CC1)NO[C@H]1CCCCO1	ZINC000852290230	DD	On-Demand	Anodyne	CACNA1I	55	36
O=C(NCC1CCN(CC2CC2)CC1)NO[C@@H]1CCCCO1	ZINC000852290231	DD	On-Demand	Anodyne	CACNA1I	55	36
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NO[C@@H]1CCCCO1	ZINC000852290335	EF	On-Demand	Anodyne	ADRB3	15	41
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NO[C@H]1CCCCO1	ZINC000852290337	EF	On-Demand	Anodyne	ADRB3	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NO[C@@H]1CCCCO1	ZINC000852290338	EF	On-Demand	Anodyne	ADRB3	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NO[C@H]1CCCCO1	ZINC000852290340	EF	On-Demand	Anodyne	ADRB3	15	41
C=CCCNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852290343	CD	On-Demand	Mild	CTSK	16	43
C=CCCNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852290344	CD	On-Demand	Mild	CTSK	16	43
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290364	GE	On-Demand	Anodyne	DRD2	15	46
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290364	GE	On-Demand	Anodyne	DRD4	34	46
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290364	GE	On-Demand	Anodyne	ACHE	48	50
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290364	GE	On-Demand	Anodyne	HTR4	40	40
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290364	GE	On-Demand	Anodyne	SIGMAR1	40	42
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290364	GE	On-Demand	Anodyne	CCR3	65	45
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290364	GE	On-Demand	Anodyne	CACNA1I	56	40
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290365	GE	On-Demand	Anodyne	DRD2	15	46
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290365	GE	On-Demand	Anodyne	DRD4	34	46
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290365	GE	On-Demand	Anodyne	ACHE	48	50
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290365	GE	On-Demand	Anodyne	HTR4	40	40
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290365	GE	On-Demand	Anodyne	SIGMAR1	40	42
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290365	GE	On-Demand	Anodyne	CCR3	65	45
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290365	GE	On-Demand	Anodyne	CACNA1I	56	40
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290366	GE	On-Demand	Anodyne	DRD2	15	46
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290366	GE	On-Demand	Anodyne	DRD4	34	46
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290366	GE	On-Demand	Anodyne	ACHE	48	50
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290366	GE	On-Demand	Anodyne	HTR4	40	40
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290366	GE	On-Demand	Anodyne	SIGMAR1	40	42
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290366	GE	On-Demand	Anodyne	CCR3	65	45
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290366	GE	On-Demand	Anodyne	CACNA1I	56	40
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290367	GE	On-Demand	Anodyne	DRD2	15	46
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290367	GE	On-Demand	Anodyne	DRD4	34	46
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290367	GE	On-Demand	Anodyne	ACHE	48	50
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290367	GE	On-Demand	Anodyne	HTR4	40	40
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290367	GE	On-Demand	Anodyne	SIGMAR1	40	42
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290367	GE	On-Demand	Anodyne	CCR3	65	45
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290367	GE	On-Demand	Anodyne	CACNA1I	56	40
Cc1cccc(C(=O)NNC(=O)CN(CCOCCO)C2CCC2)c1	ZINC000852290371	EC	On-Demand	Reactive	KCNK3	51	35
Cc1cccc(C(=O)NNC(=O)CN(CCOCCO)C2CCC2)c1	ZINC000852290371	EC	On-Demand	Reactive	KCNK9	41	35
COCCCC[C@H](NC(=O)NNC(=O)c1cccc(F)n1)c1ccccc1	ZINC000852290382	FF	On-Demand	Reactive	TACR3	50	41
COCCCC[C@@H](NC(=O)NNC(=O)c1cccc(F)n1)c1ccccc1	ZINC000852290383	FF	On-Demand	Reactive	TACR3	50	41
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	CHRM2	18	41
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	DRD2	19	49
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	DRD4	51	50
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	ACHE	52	52
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	DRD3	15	50
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	HTR4	47	46
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	GRIN2B	54	40
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	SIGMAR1	55	49
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	BCHE	15	40
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	CCR3	55	47
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	MCHR1	17	42
O=C(NCc1ncccn1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852290401	ED	On-Demand	Anodyne	CACNA1I	59	38
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	CHRM2	18	41
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	DRD2	19	49
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	DRD4	51	50
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	ACHE	52	52
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	DRD3	15	50
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	HTR4	47	46
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	GRIN2B	54	40
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	SIGMAR1	55	49
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	BCHE	15	40
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	CCR3	55	47
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	MCHR1	17	42
O=C(NCc1ncccn1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852290402	ED	On-Demand	Anodyne	CACNA1I	59	38
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852290412	DG	On-Demand	Anodyne	PAPA1_CARPA	35	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852290412	DG	On-Demand	Anodyne	CTSK	17	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852290414	DG	On-Demand	Anodyne	PAPA1_CARPA	35	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852290414	DG	On-Demand	Anodyne	CTSK	17	42
COc1ccc([C@@H]2CCCN2C(=O)NOCC(F)F)cc1F	ZINC000852290416	DF	On-Demand	Anodyne	ACKR3	44	31
CO[C@@](C)(CNC(=O)NOCC(F)F)COCc1ccccc1	ZINC000852290435	EE	On-Demand	Anodyne	CTSK	16	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NOCC(F)F)C1	ZINC000852290453	GG	On-Demand	Anodyne	EPHX2	19	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NOCC(F)F)C1	ZINC000852290453	GG	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NOCC(F)F)C2)CC1	ZINC000852290461	GG	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NOCC(F)F)C2)CC1	ZINC000852290462	GG	On-Demand	Anodyne	GPR119	32	44
CC[C@H](C)N(CC)CC(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852290480	DH	On-Demand	Anodyne	KCNQ2	50	51
CC[C@H](C)N(CC)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852290487	CF	On-Demand	Bother	CACNA1D	62	35
CC[C@H](C)N(CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852290489	CF	On-Demand	Bother	CACNA1D	62	35
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852290498	DD	On-Demand	Reactive	CTRB_BOVIN	47	34
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NOCC(F)F)CCC2	ZINC000852290511	EE	On-Demand	Anodyne	NQO2	21	41
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NOCC(F)F)CCC2	ZINC000852290512	EE	On-Demand	Anodyne	NQO2	21	41
O=C(NCc1ccc(Cl)c(Cl)c1)NOCC(F)F	ZINC000852290514	CF	On-Demand	Anodyne	DNAE	51	32
O=C(NCc1ccc(Cl)c(Cl)c1)NOCC(F)F	ZINC000852290514	CF	On-Demand	Anodyne	PDS	29	40
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NO[C@@H]1CCCCO1)CCC2	ZINC000852290532	FF	On-Demand	Anodyne	NQO2	20	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NO[C@@H]1CCCCO1)CCC2	ZINC000852290534	FF	On-Demand	Anodyne	NQO2	20	41
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NO[C@H]1CCCCO1)CCC2	ZINC000852290537	FF	On-Demand	Anodyne	NQO2	20	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NO[C@H]1CCCCO1)CCC2	ZINC000852290539	FF	On-Demand	Anodyne	NQO2	20	41
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	KLK3	47	34
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	CTSB	49	40
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	PAPA1_CARPA	41	35
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	CTSK	27	40
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	CTSL	23	40
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	CAPNS1	56	38
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	CAPN1	74	44
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	CAPN2	106	39
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	ACE2	45	38
CC[C@H](C)N(CC)CC(=O)NOCc1ccccc1	ZINC000852290554	CE	On-Demand	Anodyne	NPR	79	38
O=C(NC[C@H]1CN(Cc2ccccc2)CC12CCC2)NOCC(F)F	ZINC000852290558	FF	On-Demand	Anodyne	NPFFR1	40	35
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290560	GC	On-Demand	Reactive	DRD4	36	50
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290560	GC	On-Demand	Reactive	ACHE	41	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290560	GC	On-Demand	Reactive	HTR4	43	41
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290560	GC	On-Demand	Reactive	SIGMAR1	39	43
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290560	GC	On-Demand	Reactive	CCR3	32	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290560	GC	On-Demand	Reactive	CACNA1I	48	36
O=C(NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)NOCC(F)F	ZINC000852290561	FF	On-Demand	Anodyne	NPFFR1	40	35
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290563	GC	On-Demand	Reactive	DRD4	36	50
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290563	GC	On-Demand	Reactive	ACHE	41	42
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290563	GC	On-Demand	Reactive	HTR4	43	41
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290563	GC	On-Demand	Reactive	SIGMAR1	39	43
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290563	GC	On-Demand	Reactive	CCR3	32	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290563	GC	On-Demand	Reactive	CACNA1I	48	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290564	GC	On-Demand	Reactive	DRD4	36	50
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290564	GC	On-Demand	Reactive	ACHE	41	42
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290564	GC	On-Demand	Reactive	HTR4	43	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290564	GC	On-Demand	Reactive	SIGMAR1	39	43
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290564	GC	On-Demand	Reactive	CCR3	32	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290564	GC	On-Demand	Reactive	CACNA1I	48	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290565	GC	On-Demand	Reactive	DRD4	36	50
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290565	GC	On-Demand	Reactive	ACHE	41	42
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290565	GC	On-Demand	Reactive	HTR4	43	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290565	GC	On-Demand	Reactive	SIGMAR1	39	43
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290565	GC	On-Demand	Reactive	CCR3	32	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)O1	ZINC000852290565	GC	On-Demand	Reactive	CACNA1I	48	36
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852290568	FE	On-Demand	Anodyne	DRD4	24	43
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852290568	FE	On-Demand	Anodyne	ACHE	35	42
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852290568	FE	On-Demand	Anodyne	SIGMAR1	35	40
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852290570	FE	On-Demand	Anodyne	DRD4	24	43
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852290570	FE	On-Demand	Anodyne	ACHE	35	42
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852290570	FE	On-Demand	Anodyne	SIGMAR1	35	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290573	FD	On-Demand	Reactive	DRD2	15	49
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290573	FD	On-Demand	Reactive	DRD4	40	51
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290573	FD	On-Demand	Reactive	ACHE	42	46
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290573	FD	On-Demand	Reactive	HTR4	41	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290573	FD	On-Demand	Reactive	SIGMAR1	39	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290573	FD	On-Demand	Reactive	CCR3	64	43
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290573	FD	On-Demand	Reactive	CACNA1I	51	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290576	FD	On-Demand	Reactive	DRD2	15	49
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290576	FD	On-Demand	Reactive	DRD4	40	51
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290576	FD	On-Demand	Reactive	ACHE	42	46
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290576	FD	On-Demand	Reactive	HTR4	41	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290576	FD	On-Demand	Reactive	SIGMAR1	39	41
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290576	FD	On-Demand	Reactive	CCR3	64	43
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852290576	FD	On-Demand	Reactive	CACNA1I	51	40
COC(=O)c1ccc(CNC(=O)NOCC(F)F)c(F)c1	ZINC000852290577	DD	On-Demand	Anodyne	BDKRB1	26	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852290637	FD	On-Demand	Anodyne	DRD4	35	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852290637	FD	On-Demand	Anodyne	ACHE	39	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852290637	FD	On-Demand	Anodyne	HTR4	48	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852290637	FD	On-Demand	Anodyne	SIGMAR1	39	41
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852290639	FD	On-Demand	Anodyne	DRD4	35	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852290639	FD	On-Demand	Anodyne	ACHE	39	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852290639	FD	On-Demand	Anodyne	HTR4	48	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852290639	FD	On-Demand	Anodyne	SIGMAR1	39	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852290642	FD	On-Demand	Anodyne	DRD4	35	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852290642	FD	On-Demand	Anodyne	ACHE	39	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852290642	FD	On-Demand	Anodyne	HTR4	48	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852290642	FD	On-Demand	Anodyne	SIGMAR1	39	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852290644	FD	On-Demand	Anodyne	DRD4	35	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852290644	FD	On-Demand	Anodyne	ACHE	39	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852290644	FD	On-Demand	Anodyne	HTR4	48	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852290644	FD	On-Demand	Anodyne	SIGMAR1	39	41
COCCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852290651	GF	On-Demand	Anodyne	TACR2	51	34
COCCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852290651	GF	On-Demand	Anodyne	SIGMAR1	17	40
COCCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852290651	GF	On-Demand	Anodyne	REN	37	43
COCCC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852290651	GF	On-Demand	Anodyne	CAPN1	17	42
COCCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852290654	GF	On-Demand	Anodyne	TACR2	51	34
COCCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852290654	GF	On-Demand	Anodyne	SIGMAR1	17	40
COCCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852290654	GF	On-Demand	Anodyne	REN	37	43
COCCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852290654	GF	On-Demand	Anodyne	CAPN1	17	42
COCCC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852290714	EE	On-Demand	Anodyne	MME	57	41
COCCC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852290714	EE	On-Demand	Anodyne	CTRB_BOVIN	52	30
COCCC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852290717	EE	On-Demand	Anodyne	MME	57	41
COCCC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852290717	EE	On-Demand	Anodyne	CTRB_BOVIN	52	30
CC[C@@H](C)CCNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852290723	DF	On-Demand	Anodyne	CTSK	19	45
O=C(NCCc1ccnc2ccccc12)NOCC(F)F	ZINC000852290725	CE	On-Demand	Anodyne	MTNR1A	30	46
O=C(NCCc1ccnc2ccccc12)NOCC(F)F	ZINC000852290725	CE	On-Demand	Anodyne	MTNR1B	21	46
O=C(NO[C@H]1CCCCO1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852290727	EG	On-Demand	Anodyne	KCNH2	44	43
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOCC(F)F	ZINC000852290728	EF	On-Demand	Anodyne	CACNA1I	46	33
CC[C@@H](C)CCNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852290730	DF	On-Demand	Anodyne	CTSK	19	45
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOCC(F)F	ZINC000852290731	EF	On-Demand	Anodyne	CACNA1I	46	33
O=C(NO[C@@H]1CCCCO1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852290732	EG	On-Demand	Anodyne	KCNH2	44	43
COCCC[C@H](Cc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852290752	FF	On-Demand	Anodyne	TACR2	44	32
COCCC[C@@H](Cc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852290755	FF	On-Demand	Anodyne	TACR2	44	32
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA2	97	56
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA6	21	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA1	80	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA7	63	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA13	29	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA4	68	47
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA5A	30	41
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA14	40	43
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA12	53	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA9	67	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CAH_METTE	27	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	NCE103	21	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	CA15	16	49
CC[C@H](C)N(CC)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852290774	CD	On-Demand	Anodyne	P96878_MYCTU	18	42
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290831	EF	On-Demand	Anodyne	DRD4	33	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290831	EF	On-Demand	Anodyne	ACHE	37	41
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290831	EF	On-Demand	Anodyne	HTR4	39	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290831	EF	On-Demand	Anodyne	SIGMAR1	48	42
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290831	EF	On-Demand	Anodyne	CCR3	36	41
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290832	EF	On-Demand	Anodyne	DRD4	33	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290832	EF	On-Demand	Anodyne	ACHE	37	41
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290832	EF	On-Demand	Anodyne	HTR4	39	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290832	EF	On-Demand	Anodyne	SIGMAR1	48	42
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290832	EF	On-Demand	Anodyne	CCR3	36	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290833	EF	On-Demand	Anodyne	DRD4	33	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290833	EF	On-Demand	Anodyne	ACHE	37	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290833	EF	On-Demand	Anodyne	HTR4	39	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290833	EF	On-Demand	Anodyne	SIGMAR1	48	42
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852290833	EF	On-Demand	Anodyne	CCR3	36	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290834	EF	On-Demand	Anodyne	DRD4	33	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290834	EF	On-Demand	Anodyne	ACHE	37	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290834	EF	On-Demand	Anodyne	HTR4	39	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290834	EF	On-Demand	Anodyne	SIGMAR1	48	42
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852290834	EF	On-Demand	Anodyne	CCR3	36	41
COCCCC[C@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852290835	GF	On-Demand	Anodyne	BIRC8	47	34
COCCCC[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852290836	GF	On-Demand	Anodyne	BIRC8	47	34
COCCCC[C@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852290837	GF	On-Demand	Anodyne	BIRC8	47	34
COCCCC[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852290838	GF	On-Demand	Anodyne	BIRC8	47	34
CC[C@@H](NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)C1CC1	ZINC000852290844	CE	On-Demand	Anodyne	CTSK	16	43
CC[C@@H](NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)C1CC1	ZINC000852290847	CE	On-Demand	Anodyne	CTSK	16	43
O=C(NOCC(F)F)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852290864	GE	On-Demand	Anodyne	EPHX2	21	43
O=C(NOCC(F)F)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852290864	GE	On-Demand	Anodyne	RBP4	42	33
COC(=O)N(C)CCNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C	ZINC000852290870	EC	On-Demand	Anodyne	CTSK	15	43
COC(=O)N(C)CCNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852290873	EC	On-Demand	Anodyne	CTSK	15	43
CCC(CC)(CNC(=O)NOCC(F)F)c1ccc(F)cc1	ZINC000852290874	DG	On-Demand	Anodyne	CACNA1G	38	44
C#C[C@H](NC(=O)N[C@@H](CCCOC)Cc1ccccc1)C1CCOCC1	ZINC000852290961	FF	On-Demand	Mild	TACR2	43	38
C#C[C@H](NC(=O)N[C@H](CCCOC)Cc1ccccc1)C1CCOCC1	ZINC000852290963	FF	On-Demand	Mild	TACR2	43	38
C#C[C@@H](NC(=O)N[C@@H](CCCOC)Cc1ccccc1)C1CCOCC1	ZINC000852290964	FF	On-Demand	Mild	TACR2	43	38
C#C[C@@H](NC(=O)N[C@H](CCCOC)Cc1ccccc1)C1CCOCC1	ZINC000852290965	FF	On-Demand	Mild	TACR2	43	38
COCCCC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852290976	GG	On-Demand	Anodyne	P2RY12	40	34
COCCCC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852290976	GG	On-Demand	Anodyne	CCR5	29	44
COCCCC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852290979	GG	On-Demand	Anodyne	P2RY12	40	34
COCCCC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1ccccc1	ZINC000852290979	GG	On-Demand	Anodyne	CCR5	29	44
O=C(CN(CCOCCO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852290981	GD	On-Demand	Anodyne	MTOR	42	38
O=C(NOCC(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852291023	EF	On-Demand	Anodyne	CHRM1	19	42
O=C(NOCC(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852291023	EF	On-Demand	Anodyne	SLC6A3	23	51
O=C(NOCC(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852291023	EF	On-Demand	Anodyne	KCNH2	45	43
O=C(NOCC(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852291023	EF	On-Demand	Anodyne	CHRM4	20	40
O=C(NOCC(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852291023	EF	On-Demand	Anodyne	CHRM5	26	40
O=C(NOCC(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852291023	EF	On-Demand	Anodyne	GLRA1	46	34
O=C(NOCC(F)F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852291040	FG	On-Demand	Anodyne	BCL2A1	50	34
NS(=O)(=O)c1ccc(CCN(CCOCCO)C2CCC2)cc1	ZINC000852291086	EC	On-Demand	Anodyne	CA2	59	48
NS(=O)(=O)c1ccc(CCN(CCOCCO)C2CCC2)cc1	ZINC000852291086	EC	On-Demand	Anodyne	CA1	56	45
NS(=O)(=O)c1ccc(CCN(CCOCCO)C2CCC2)cc1	ZINC000852291086	EC	On-Demand	Anodyne	CA7	34	48
NS(=O)(=O)c1ccc(CCN(CCOCCO)C2CCC2)cc1	ZINC000852291086	EC	On-Demand	Anodyne	CA4	41	48
NS(=O)(=O)c1ccc(CCN(CCOCCO)C2CCC2)cc1	ZINC000852291086	EC	On-Demand	Anodyne	CA12	42	48
NS(=O)(=O)c1ccc(CCN(CCOCCO)C2CCC2)cc1	ZINC000852291086	EC	On-Demand	Anodyne	CA9	45	48
NS(=O)(=O)c1ccc(CCN(CCOCCO)C2CCC2)cc1	ZINC000852291086	EC	On-Demand	Anodyne	NCE103	17	48
C[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)NC(=O)OC(C)(C)C	ZINC000852291101	FG	On-Demand	Anodyne	CTSK	21	40
C[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)NC(=O)OC(C)(C)C	ZINC000852291101	FG	On-Demand	Anodyne	FPR1	48	38
C[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)NC(=O)OC(C)(C)C	ZINC000852291102	FG	On-Demand	Anodyne	CTSK	21	40
C[C@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)NC(=O)OC(C)(C)C	ZINC000852291102	FG	On-Demand	Anodyne	FPR1	48	38
COC(=O)c1ccc(CNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852291103	GE	On-Demand	Anodyne	BDKRB1	22	42
COC(=O)c1ccc(CNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852291104	GE	On-Demand	Anodyne	BDKRB1	22	42
O=C(NCC(F)(F)c1cccc(F)c1)NOCC(F)F	ZINC000852291117	CE	On-Demand	Anodyne	PDS	43	35
CC[C@H](C)N(CC)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852291120	EG	On-Demand	Anodyne	GPR119	34	41
CC[C@H](C)N(CC)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852291121	EG	On-Demand	Anodyne	GPR119	34	41
CC[C@H](C)N(CC)CC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852291138	DF	On-Demand	Anodyne	TPSAB1	17	40
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1cccc(C)c1	ZINC000852291167	CD	On-Demand	Reactive	KCNK3	59	43
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1cccc(C)c1	ZINC000852291167	CD	On-Demand	Reactive	KCNK9	47	43
C[C@@H](CNC(=O)N[C@H](CO)c1ccc(F)cc1F)NC(=O)OC(C)(C)C	ZINC000852291193	FE	On-Demand	Anodyne	PAPA1_CARPA	31	41
COCCCC[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852291196	GH	On-Demand	Anodyne	AMY2	44	32
COCCCC[C@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852291197	GH	On-Demand	Anodyne	AMY2	44	32
COCCC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852291213	DG	On-Demand	Anodyne	CTRB_BOVIN	53	30
COCCC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852291214	DG	On-Demand	Anodyne	CTRB_BOVIN	53	30
COCCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852291215	DG	On-Demand	Anodyne	CTRB_BOVIN	53	30
COCCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852291217	DG	On-Demand	Anodyne	CTRB_BOVIN	53	30
COCCCC[C@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852291218	EF	On-Demand	Anodyne	TACR3	51	40
COCCCC[C@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852291218	EF	On-Demand	Anodyne	SOAT1	20	42
COCCCC[C@@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852291220	EF	On-Demand	Anodyne	TACR3	51	40
COCCCC[C@@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852291220	EF	On-Demand	Anodyne	SOAT1	20	42
O=C(NCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291227	FF	On-Demand	Anodyne	DRD2	17	51
O=C(NCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291227	FF	On-Demand	Anodyne	DRD4	47	51
O=C(NCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291227	FF	On-Demand	Anodyne	ACHE	49	47
O=C(NCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291227	FF	On-Demand	Anodyne	HTR4	46	45
O=C(NCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291227	FF	On-Demand	Anodyne	SIGMAR1	59	48
O=C(NCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291227	FF	On-Demand	Anodyne	CCR3	53	46
O=C(NCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291227	FF	On-Demand	Anodyne	CACNA1I	60	39
O=C(NCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291229	FF	On-Demand	Anodyne	DRD2	17	51
O=C(NCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291229	FF	On-Demand	Anodyne	DRD4	47	51
O=C(NCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291229	FF	On-Demand	Anodyne	ACHE	49	47
O=C(NCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291229	FF	On-Demand	Anodyne	HTR4	46	45
O=C(NCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291229	FF	On-Demand	Anodyne	SIGMAR1	59	48
O=C(NCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291229	FF	On-Demand	Anodyne	CCR3	53	46
O=C(NCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291229	FF	On-Demand	Anodyne	CACNA1I	60	39
COc1ccc(N2CC[C@H](NC(=O)NOCC(F)F)C2)cc1	ZINC000852291242	DD	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NOCC(F)F)C2)cc1	ZINC000852291242	DD	On-Demand	Clean	MTNR1B	15	47
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852291287	GD	On-Demand	Anodyne	CCKAR	26	41
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852291287	GD	On-Demand	Anodyne	PYGL	31	44
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852291287	GD	On-Demand	Anodyne	PYGM	28	44
O=C(NCC1CCN(CC2CC2)CC1)NOCC(F)F	ZINC000852291291	CD	On-Demand	Anodyne	CACNA1I	50	34
O=C(NCc1cccnc1N1CCCC1)NOCC(F)F	ZINC000852291298	DD	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NOCC(F)F	ZINC000852291298	DD	On-Demand	Anodyne	SCN10A	23	47
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCC(F)F)C1	ZINC000852291316	CE	On-Demand	Anodyne	CCR5	45	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOCC(F)F)C1	ZINC000852291316	CE	On-Demand	Anodyne	AMY2	46	34
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCC(F)F)C1	ZINC000852291317	CE	On-Demand	Anodyne	CCR5	45	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NOCC(F)F)C1	ZINC000852291317	CE	On-Demand	Anodyne	AMY2	46	34
O=C(NCCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291363	FG	On-Demand	Anodyne	DRD2	16	48
O=C(NCCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291363	FG	On-Demand	Anodyne	DRD4	41	48
O=C(NCCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291363	FG	On-Demand	Anodyne	ACHE	50	53
O=C(NCCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291363	FG	On-Demand	Anodyne	HTR4	39	43
O=C(NCCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291363	FG	On-Demand	Anodyne	SIGMAR1	48	45
O=C(NCCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291363	FG	On-Demand	Anodyne	CCR3	54	44
O=C(NCCC1SCCS1)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291363	FG	On-Demand	Anodyne	CACNA1I	50	37
O=C(NCCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291364	FG	On-Demand	Anodyne	DRD2	16	48
O=C(NCCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291364	FG	On-Demand	Anodyne	DRD4	41	48
O=C(NCCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291364	FG	On-Demand	Anodyne	ACHE	50	53
O=C(NCCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291364	FG	On-Demand	Anodyne	HTR4	39	43
O=C(NCCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291364	FG	On-Demand	Anodyne	SIGMAR1	48	45
O=C(NCCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291364	FG	On-Demand	Anodyne	CCR3	54	44
O=C(NCCC1SCCS1)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291364	FG	On-Demand	Anodyne	CACNA1I	50	37
CC[C@H](C)N(CC)CCNC(=O)OC(C)(C)C	ZINC000852291422	BF	On-Demand	Anodyne	CTSK	15	46
COCCC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852291490	EG	On-Demand	Anodyne	TACR2	50	34
COCCC[C@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852291493	EG	On-Demand	Anodyne	TACR2	50	34
COCCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852291494	EG	On-Demand	Anodyne	TACR2	50	34
COCCC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852291495	EG	On-Demand	Anodyne	TACR2	50	34
C[C@@H](CNC(=O)N[C@H]1CCN(C(C)(C)C)C1)NC(=O)OC(C)(C)C	ZINC000852291518	EE	On-Demand	Anodyne	CTSK	15	45
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NOCC(F)F	ZINC000852291522	EG	On-Demand	Anodyne	MDM2	44	31
CC[C@H](C)N(CC)C[C@H](O)c1cccnc1	ZINC000852291529	BE	On-Demand	Anodyne	KCNA5	21	46
CC[C@H](C)N(CC)C[C@H](O)c1cccnc1	ZINC000852291529	BE	On-Demand	Anodyne	CYP51A1	19	46
CC[C@H](C)N(CC)C[C@@H](O)c1cccnc1	ZINC000852291532	BE	On-Demand	Anodyne	KCNA5	21	46
CC[C@H](C)N(CC)C[C@@H](O)c1cccnc1	ZINC000852291532	BE	On-Demand	Anodyne	CYP51A1	19	46
COCCC[C@@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852291548	FG	On-Demand	Anodyne	MME	47	40
COCCC[C@@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852291548	FG	On-Demand	Anodyne	TACR2	40	32
COCCC[C@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852291550	FG	On-Demand	Anodyne	MME	47	40
COCCC[C@H](Cc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852291550	FG	On-Demand	Anodyne	TACR2	40	32
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291553	GF	On-Demand	Anodyne	DRD4	25	45
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291553	GF	On-Demand	Anodyne	HTR4	40	39
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291553	GF	On-Demand	Anodyne	SIGMAR1	33	42
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291553	GF	On-Demand	Anodyne	CCR3	35	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291553	GF	On-Demand	Anodyne	CACNA1G	22	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291554	GF	On-Demand	Anodyne	DRD4	25	45
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291554	GF	On-Demand	Anodyne	HTR4	40	39
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291554	GF	On-Demand	Anodyne	SIGMAR1	33	42
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291554	GF	On-Demand	Anodyne	CCR3	35	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852291554	GF	On-Demand	Anodyne	CACNA1G	22	41
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291564	CF	On-Demand	Anodyne	DRD4	45	51
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291564	CF	On-Demand	Anodyne	ACHE	47	45
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291564	CF	On-Demand	Anodyne	HTR4	42	43
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291564	CF	On-Demand	Anodyne	SIGMAR1	51	45
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291564	CF	On-Demand	Anodyne	CCR3	54	42
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291564	CF	On-Demand	Anodyne	CACNA1I	54	37
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291565	CF	On-Demand	Anodyne	DRD4	45	51
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291565	CF	On-Demand	Anodyne	ACHE	47	45
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291565	CF	On-Demand	Anodyne	HTR4	42	43
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291565	CF	On-Demand	Anodyne	SIGMAR1	51	45
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291565	CF	On-Demand	Anodyne	CCR3	54	42
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852291565	CF	On-Demand	Anodyne	CACNA1I	54	37
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291568	CF	On-Demand	Anodyne	DRD4	45	51
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291568	CF	On-Demand	Anodyne	ACHE	47	45
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291568	CF	On-Demand	Anodyne	HTR4	42	43
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291568	CF	On-Demand	Anodyne	SIGMAR1	51	45
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291568	CF	On-Demand	Anodyne	CCR3	54	42
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291568	CF	On-Demand	Anodyne	CACNA1I	54	37
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291570	CF	On-Demand	Anodyne	DRD4	45	51
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291570	CF	On-Demand	Anodyne	ACHE	47	45
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291570	CF	On-Demand	Anodyne	HTR4	42	43
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291570	CF	On-Demand	Anodyne	SIGMAR1	51	45
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291570	CF	On-Demand	Anodyne	CCR3	54	42
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852291570	CF	On-Demand	Anodyne	CACNA1I	54	37
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	DRD2	19	52
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	DRD4	44	52
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	ACHE	51	50
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	DRD3	15	52
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	HTR4	49	45
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	SIGMAR1	46	45
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	BCHE	15	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	CCR3	57	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	CCR5	23	42
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	MCHR1	21	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291580	ED	On-Demand	Anodyne	CACNA1I	60	39
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	DRD2	19	52
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	DRD4	44	52
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	ACHE	51	50
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	DRD3	15	52
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	HTR4	49	45
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	SIGMAR1	46	45
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	BCHE	15	41
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	CCR3	57	41
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	CCR5	23	42
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	MCHR1	21	41
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291582	ED	On-Demand	Anodyne	CACNA1I	60	39
CC[C@H](C)N(CC)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852291584	CG	On-Demand	Anodyne	CTSK	19	53
CC[C@H](C)N(CC)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000852291588	CG	On-Demand	Anodyne	CTSK	19	53
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3C)C2)cc1	ZINC000852291595	EE	On-Demand	Clean	MCHR1	15	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	DRD2	17	50
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	DRD4	52	50
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	ACHE	44	45
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	HTR4	47	42
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	F10	26	44
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	SIGMAR1	41	45
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	CCR3	42	43
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	CXCR3	28	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	MCHR1	18	40
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291622	FF	On-Demand	Reactive	CACNA1I	60	41
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	DRD2	17	50
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	DRD4	52	50
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	ACHE	44	45
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	HTR4	47	42
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	F10	26	44
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	SIGMAR1	41	45
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	CCR3	42	43
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	CXCR3	28	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	MCHR1	18	40
O=C(NC[C@H]1CCN(Cc2ccccc2)C1)NNc1ccc(Cl)cn1	ZINC000852291623	FF	On-Demand	Reactive	CACNA1I	60	41
N#C[C@@H](C(=O)CN(CCOCCO)C1CCC1)c1nc(O)c2ccccc2n1	ZINC000852291669	GD	On-Demand	Mild	TNKS	46	33
N#C[C@H](C(=O)CN(CCOCCO)C1CCC1)c1nc(O)c2ccccc2n1	ZINC000852291670	GD	On-Demand	Mild	TNKS	46	33
C[C@@H](CNC(=O)N(Cc1ccccc1F)CC1CC1)NC(=O)OC(C)(C)C	ZINC000852291673	GH	On-Demand	Anodyne	PAPA1_CARPA	29	45
C[C@@H](CNC(=O)N(Cc1ccccc1F)CC1CC1)NC(=O)OC(C)(C)C	ZINC000852291673	GH	On-Demand	Anodyne	FPR1	44	36
C[C@H](CNC(=O)N(Cc1ccccc1F)CC1CC1)NC(=O)OC(C)(C)C	ZINC000852291674	GH	On-Demand	Anodyne	PAPA1_CARPA	29	45
C[C@H](CNC(=O)N(Cc1ccccc1F)CC1CC1)NC(=O)OC(C)(C)C	ZINC000852291674	GH	On-Demand	Anodyne	FPR1	44	36
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	CHRM2	17	42
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	DRD2	26	54
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	DRD4	47	54
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	ACHE	47	49
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	DRD3	21	54
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	SLC6A3	16	41
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	HTR4	57	49
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	LTA4H	19	40
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	SIGMAR1	48	44
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	CCR3	42	39
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	MCHR1	22	43
COCCN(CCF)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852291677	EE	On-Demand	Anodyne	CACNA1I	66	40
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	CHRM2	17	42
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	DRD2	26	54
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	DRD4	47	54
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	ACHE	47	49
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	DRD3	21	54
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	SLC6A3	16	41
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	HTR4	57	49
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	LTA4H	19	40
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	SIGMAR1	48	44
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	CCR3	42	39
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	MCHR1	22	43
COCCN(CCF)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1	ZINC000852291678	EE	On-Demand	Anodyne	CACNA1I	66	40
OCCOCCN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCC1	ZINC000852291679	FF	On-Demand	Anodyne	LUCI_PHOPY	65	44
OCCOCCN(C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCC1	ZINC000852291680	FF	On-Demand	Anodyne	LUCI_PHOPY	65	44
CC[C@H](C)N(CC)CCC(=O)N1CCCC1	ZINC000852291754	BE	On-Demand	Anodyne	RIR1_HHV11	45	32
CC[C@H](C)N(CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000852291755	CG	On-Demand	Bother	COLA	90	42
O=C(NOCC(F)F)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852291770	EG	On-Demand	Anodyne	P2RY14	44	35
Cn1cc(CCNC(=O)NOCC(F)F)c2ccccc21	ZINC000852291799	CE	On-Demand	Anodyne	NQO2	22	47
Cn1cc(CCNC(=O)NOCC(F)F)c2ccccc21	ZINC000852291799	CE	On-Demand	Anodyne	MTNR1A	27	47
Cn1cc(CCNC(=O)NOCC(F)F)c2ccccc21	ZINC000852291799	CE	On-Demand	Anodyne	MTNR1B	21	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NO[C@H]1CCCCO1	ZINC000852291905	EE	On-Demand	Anodyne	ACHE	36	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NO[C@H]1CCCCO1	ZINC000852291905	EE	On-Demand	Anodyne	SIGMAR1	19	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NO[C@H]1CCCCO1	ZINC000852291905	EE	On-Demand	Anodyne	CACNA1I	68	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NO[C@@H]1CCCCO1	ZINC000852291906	EE	On-Demand	Anodyne	ACHE	36	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NO[C@@H]1CCCCO1	ZINC000852291906	EE	On-Demand	Anodyne	SIGMAR1	19	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NO[C@@H]1CCCCO1	ZINC000852291906	EE	On-Demand	Anodyne	CACNA1I	68	41
O=C(NCc1ccc(Cl)c(Cl)c1)NO[C@@H]1CCCCO1	ZINC000852291935	DG	On-Demand	Anodyne	SSTR3	26	47
O=C(NCc1ccc(Cl)c(Cl)c1)NO[C@H]1CCCCO1	ZINC000852291936	DG	On-Demand	Anodyne	SSTR3	26	47
CCOC(=O)Nc1ccc2c(CN(CC)[C@H](C)CC)cc(=O)oc2c1	ZINC000852291959	EH	On-Demand	Anodyne	MMP12	26	46
CCOC(=O)Nc1ccc2c(CN(CC)[C@@H](C)CC)cc(=O)oc2c1	ZINC000852291960	EH	On-Demand	Anodyne	MMP12	26	46
O=C(NCc1cccnc1F)N1CC[C@H]2C[C@@H]2C1	ZINC000852291962	BD	On-Demand	Anodyne	EPHX2	21	45
O=C(NCc1cccnc1F)N1CC[C@@H]2C[C@H]2C1	ZINC000852291963	BD	On-Demand	Anodyne	EPHX2	21	45
O=C(NCc1cccnc1F)N1CC[C@@H]2C[C@@H]2C1	ZINC000852291964	BD	On-Demand	Anodyne	EPHX2	21	45
O=C(NCc1cccnc1F)N1CC[C@H]2C[C@H]2C1	ZINC000852291965	BD	On-Demand	Anodyne	EPHX2	21	45
OCCOCCN(CCOc1cccc(F)c1)C1CCC1	ZINC000852292035	CE	On-Demand	Anodyne	CHRNA10	34	42
OCCOCCN(Cc1nc2ccccc2[nH]1)C1CCC1	ZINC000852292041	CD	On-Demand	Anodyne	CXCR4	43	46
CO[C@@](C)(CNC(=O)NO[C@@H]1CCCCO1)COCc1ccccc1	ZINC000852292042	FE	On-Demand	Anodyne	AMY2	43	29
CO[C@@](C)(CNC(=O)NO[C@H]1CCCCO1)COCc1ccccc1	ZINC000852292045	FE	On-Demand	Anodyne	AMY2	43	29
O=C(NCc1cccnc1N1CCCC1)NO[C@H]1CCCCO1	ZINC000852292046	DD	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NO[C@H]1CCCCO1	ZINC000852292046	DD	On-Demand	Anodyne	SCN10A	20	44
O=C(NCc1cccnc1N1CCCC1)NO[C@@H]1CCCCO1	ZINC000852292047	DD	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NO[C@@H]1CCCCO1	ZINC000852292047	DD	On-Demand	Anodyne	SCN10A	20	44
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NO[C@H]1CCCCO1	ZINC000852292052	FF	On-Demand	Anodyne	CACNA1I	50	35
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NO[C@H]1CCCCO1	ZINC000852292053	FF	On-Demand	Anodyne	CACNA1I	50	35
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NO[C@@H]1CCCCO1	ZINC000852292056	FF	On-Demand	Anodyne	CACNA1I	50	35
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NO[C@@H]1CCCCO1	ZINC000852292058	FF	On-Demand	Anodyne	CACNA1I	50	35
O=C(NCc1cccnc1F)N1CCC(c2ccon2)CC1	ZINC000852292110	DE	On-Demand	Anodyne	EPHX2	17	43
O=C(NCc1cccnc1F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852292139	FG	On-Demand	Anodyne	EPHX2	16	52
O=C(NCc1cccnc1F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852292139	FG	On-Demand	Anodyne	SCD1	23	45
O=C(NCc1cccnc1F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852292139	FG	On-Demand	Anodyne	SCD	33	41
O=C(NCc1cccnc1F)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852292139	FG	On-Demand	Anodyne	TRPM8	29	52
O=C(NCc1ccc(-c2cccs2)cc1)NO[C@H]1CCCCO1	ZINC000852292215	EH	On-Demand	Anodyne	HDAC1	22	51
O=C(NCc1ccc(-c2cccs2)cc1)NO[C@H]1CCCCO1	ZINC000852292215	EH	On-Demand	Anodyne	HDAC2	17	48
O=C(NCc1ccc(-c2cccs2)cc1)NO[C@@H]1CCCCO1	ZINC000852292216	EH	On-Demand	Anodyne	HDAC1	22	51
O=C(NCc1ccc(-c2cccs2)cc1)NO[C@@H]1CCCCO1	ZINC000852292216	EH	On-Demand	Anodyne	HDAC2	17	48
C=CCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292244	DC	On-Demand	Reactive	PAPA1_CARPA	49	33
C=CCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292244	DC	On-Demand	Reactive	CTSK	20	44
C=CCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292244	DC	On-Demand	Reactive	CAPNS1	52	32
C=CCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292244	DC	On-Demand	Reactive	CAPN1	45	38
C=CCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292244	DC	On-Demand	Reactive	CAPN2	68	38
C=CCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292244	DC	On-Demand	Reactive	NPR	63	37
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1=CCCC1	ZINC000852292251	ED	On-Demand	Reactive	CTSK	22	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1=CCCC1	ZINC000852292251	ED	On-Demand	Reactive	PREP	17	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1=CCCC1	ZINC000852292251	ED	On-Demand	Reactive	CAPNS1	52	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1=CCCC1	ZINC000852292251	ED	On-Demand	Reactive	CAPN2	60	36
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1=CCCC1	ZINC000852292251	ED	On-Demand	Reactive	NPR	59	34
CC[C@H](C)N(CC)CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852292252	FF	On-Demand	Anodyne	NPY2R	84	40
CC[C@H](C)N(CC)CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852292252	FF	On-Demand	Anodyne	SLC6A9	25	50
CN1CC[C@H](N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852292260	FF	On-Demand	Anodyne	GPR119	19	40
CN1CC[C@H](N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852292261	FF	On-Demand	Anodyne	GPR119	19	40
Cc1cccc(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852292263	FD	On-Demand	Reactive	SCN2A	18	44
Cc1cccc(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852292263	FD	On-Demand	Reactive	SCN10A	20	49
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cn4cccnc4n3)CC2)C1	ZINC000852292267	GH	On-Demand	Anodyne	GPR119	19	45
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cn4cccnc4n3)CC2)C1	ZINC000852292268	GH	On-Demand	Anodyne	GPR119	19	45
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	OPRM1	27	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	OPRD1	32	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CELA1	23	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	MME	59	38
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	TACR1	15	45
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CASP3	21	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	BMP1	20	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	KLK3	83	38
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CTSB	76	46
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	PAPA1_CARPA	104	44
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CYSP_TRYCR	59	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CTSK	49	48
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CTSL	56	47
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CAPNS1	74	44
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	HLA-DRB1	51	33
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	MMP11	53	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CTSS	30	47
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CAPN1	108	46
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CASP1	27	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CTRC	23	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CAPN2	153	46
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	ACE2	42	37
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CASP9	30	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	TGM2	18	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	TPSAB1	20	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	FPR1	59	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	CTRB_BOVIN	45	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	NPR	95	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	PSMB5	57	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	QRFPR	23	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292273	FE	On-Demand	Reactive	PDS	52	35
Cc1cccc(C(=O)NNC(=O)NCC2CCN(C3CCOCC3)CC2)n1	ZINC000852292281	GD	On-Demand	Reactive	HTR4	47	38
Cc1cccc(C(=O)NNC(=O)NCC2CCN(C3CCOCC3)CC2)n1	ZINC000852292281	GD	On-Demand	Reactive	CACNA1I	49	35
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCS(N)(=O)=O)CC2)C1	ZINC000852292284	GD	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCS(N)(=O)=O)CC2)C1	ZINC000852292285	GD	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCCN3CCOCC3)CC2)C1	ZINC000852292286	GG	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCCN3CCOCC3)CC2)C1	ZINC000852292287	GG	On-Demand	Anodyne	GPR119	15	40
CC(C)n1ccnc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852292292	GI	On-Demand	Anodyne	GPR119	28	44
CC(C)n1ccnc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852292293	GI	On-Demand	Anodyne	GPR119	28	44
Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852292295	GD	On-Demand	Reactive	DRD4	31	46
Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852292295	GD	On-Demand	Reactive	ACHE	34	46
Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852292295	GD	On-Demand	Reactive	HTR4	50	42
Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852292295	GD	On-Demand	Reactive	SIGMAR1	26	40
Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852292295	GD	On-Demand	Reactive	SSTR5	59	37
Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852292295	GD	On-Demand	Reactive	CCR3	36	44
Cc1cccc(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852292295	GD	On-Demand	Reactive	CACNA1I	64	44
O=C(NCc1cccnc1F)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852292308	CD	On-Demand	Anodyne	EPHX2	17	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	KLK3	69	36
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	CTSB	47	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	PAPA1_CARPA	60	36
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	CTSK	33	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	CTSL	38	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	PREP	23	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	CAPNS1	57	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	CTSS	27	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	CAPN1	62	39
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	CAPN2	106	37
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	NPR	62	36
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H](CO)C1CCC1	ZINC000852292309	FC	On-Demand	Reactive	BIRC2	15	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	KLK3	69	36
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	CTSB	47	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	PAPA1_CARPA	60	36
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	CTSK	33	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	CTSL	38	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	PREP	23	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	CAPNS1	57	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	CTSS	27	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	CAPN1	62	39
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	CAPN2	106	37
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	NPR	62	36
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H](CO)C1CCC1	ZINC000852292310	FC	On-Demand	Reactive	BIRC2	15	40
O=C(NCc1cccnc1F)N1CC[C@H]2COC[C@H]2C1	ZINC000852292311	CD	On-Demand	Anodyne	EPHX2	17	44
O=C(NCc1cccnc1F)N1CC[C@H]2COC[C@@H]2C1	ZINC000852292313	CD	On-Demand	Anodyne	EPHX2	17	44
O=C(NCc1cccnc1F)N1CC[C@@H]2COC[C@H]2C1	ZINC000852292314	CD	On-Demand	Anodyne	EPHX2	17	44
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CASP3	15	41
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	BMP1	17	40
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	KLK3	59	33
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CTSB	62	42
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	PAPA1_CARPA	78	40
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CYSP_TRYCR	41	37
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CTSK	40	45
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CTSL	42	40
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	PREP	21	42
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CAPNS1	63	37
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CTSS	29	40
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CAPN1	80	43
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	CAPN2	134	43
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	NPR	76	40
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	PSMB5	38	43
CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CC1	ZINC000852292319	ED	On-Demand	Reactive	PDS	42	34
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC3CCOCC3)CC2)C1	ZINC000852292321	FH	On-Demand	Anodyne	GPR119	18	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC3CCOCC3)CC2)C1	ZINC000852292323	FH	On-Demand	Anodyne	GPR119	18	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852292336	GC	On-Demand	Reactive	CAPN2	70	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCO[C@@H]1CC1(F)F	ZINC000852292336	GC	On-Demand	Reactive	NPR	58	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCO[C@H]1CC1(F)F	ZINC000852292338	GC	On-Demand	Reactive	CAPN2	70	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCO[C@H]1CC1(F)F	ZINC000852292338	GC	On-Demand	Reactive	NPR	58	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	ACE	16	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	CELA1	19	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	GRIN2B	31	47
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	CTSB	28	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	CTSK	30	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	CTSL	37	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	PREP	34	50
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	CAPN2	59	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	TGM2	50	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	TPSAB1	20	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	NPR	58	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852292342	EC	On-Demand	Reactive	F13A1	50	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	ACE	16	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	CELA1	19	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	GRIN2B	31	47
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	CTSB	28	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	CTSK	30	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	CTSL	37	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	PREP	34	50
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	CAPN2	59	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	TGM2	50	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	TPSAB1	20	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	NPR	58	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852292344	EC	On-Demand	Reactive	F13A1	50	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	ACE	16	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	CELA1	19	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	GRIN2B	31	47
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	CTSB	28	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	CTSK	30	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	CTSL	37	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	PREP	34	50
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	CAPN2	59	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	TGM2	50	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	TPSAB1	20	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	NPR	58	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852292346	EC	On-Demand	Reactive	F13A1	50	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	ACE	16	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	CELA1	19	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	GRIN2B	31	47
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	CTSB	28	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	CTSK	30	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	CTSL	37	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	PREP	34	50
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	CAPN2	59	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	TGM2	50	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	TPSAB1	20	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	NPR	58	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852292348	EC	On-Demand	Reactive	F13A1	50	42
O=C(NCc1cccnc1F)NCC1CCN(CC2CC2)CC1	ZINC000852292368	DE	On-Demand	Anodyne	SIGMAR1	15	43
O=C(NCc1cccnc1F)NCC1CCN(CC2CC2)CC1	ZINC000852292368	DE	On-Demand	Anodyne	CCR3	43	39
O=C(NCc1cccnc1F)NCC1CCN(CC2CC2)CC1	ZINC000852292368	DE	On-Demand	Anodyne	CACNA1I	58	36
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292369	FD	On-Demand	Reactive	CTSB	41	47
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292369	FD	On-Demand	Reactive	CTSK	32	47
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292369	FD	On-Demand	Reactive	PREP	21	42
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292369	FD	On-Demand	Reactive	CAPNS1	60	36
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292369	FD	On-Demand	Reactive	CTSS	16	47
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292369	FD	On-Demand	Reactive	CAPN1	60	36
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292369	FD	On-Demand	Reactive	CAPN2	98	35
CN(C[C@@H]1CC1(C)C)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292369	FD	On-Demand	Reactive	NPR	68	38
O=C(NCc1cccnc1F)N1CC[C@H](C2CCCCC2)C1	ZINC000852292416	DG	On-Demand	Anodyne	C3AR1	30	47
O=C(NCc1cccnc1F)N1CC[C@H](C2CCCCC2)C1	ZINC000852292416	DG	On-Demand	Anodyne	EPHX2	19	45
O=C(NCc1cccnc1F)N1CC[C@@H](C2CCCCC2)C1	ZINC000852292417	DG	On-Demand	Anodyne	C3AR1	30	47
O=C(NCc1cccnc1F)N1CC[C@@H](C2CCCCC2)C1	ZINC000852292417	DG	On-Demand	Anodyne	EPHX2	19	45
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC#N)CC2)C1	ZINC000852292480	DF	On-Demand	Mild	GPR119	20	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC#N)CC2)C1	ZINC000852292482	DF	On-Demand	Mild	GPR119	20	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852292486	FD	On-Demand	Reactive	CTSB	25	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852292486	FD	On-Demand	Reactive	CTSK	24	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852292486	FD	On-Demand	Reactive	PREP	25	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852292486	FD	On-Demand	Reactive	CAPN2	67	38
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCC1CCC1	ZINC000852292486	FD	On-Demand	Reactive	NPR	58	36
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	FKBP1A	23	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	GRIN2B	23	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	CTSB	31	51
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	CTSK	32	51
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	CTSL	37	51
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	PREP	28	45
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	CTSS	17	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	CAPN2	65	32
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	TGM2	39	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	NPR	58	34
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	F13A1	26	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	BIRC2	17	43
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292493	GD	On-Demand	Reactive	SLC12A5	50	34
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	FKBP1A	23	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	GRIN2B	23	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	CTSB	31	51
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	CTSK	32	51
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	CTSL	37	51
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	PREP	28	45
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	CTSS	17	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	CAPN2	65	32
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	TGM2	39	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	NPR	58	34
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	F13A1	26	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	BIRC2	17	43
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852292495	GD	On-Demand	Reactive	SLC12A5	50	34
Cc1cccc(C(=O)NNC(=O)NCC2(CC(N)=O)CCCCC2)n1	ZINC000852292499	ED	On-Demand	Reactive	HCN1	51	31
Cc1cccc(C(=O)NNC(=O)NCC2(CC(N)=O)CCCCC2)n1	ZINC000852292499	ED	On-Demand	Reactive	HCN4	48	31
COC(=O)N(C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292500	GB	On-Demand	Reactive	KLK3	62	32
COC(=O)N(C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292500	GB	On-Demand	Reactive	CTSB	40	36
COC(=O)N(C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292500	GB	On-Demand	Reactive	PAPA1_CARPA	52	36
COC(=O)N(C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292500	GB	On-Demand	Reactive	CTSK	19	48
COC(=O)N(C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292500	GB	On-Demand	Reactive	CAPNS1	54	32
COC(=O)N(C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292500	GB	On-Demand	Reactive	CAPN1	53	39
COC(=O)N(C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292500	GB	On-Demand	Reactive	CAPN2	83	38
COC(=O)N(C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292500	GB	On-Demand	Reactive	NPR	73	38
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCN3CCOCC3)CC2)C1	ZINC000852292506	GF	On-Demand	Anodyne	GPR119	19	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCN3CCOCC3)CC2)C1	ZINC000852292509	GF	On-Demand	Anodyne	GPR119	19	42
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CELA1	19	46
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	BMP1	19	41
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	KLK3	71	37
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CTSB	63	44
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	PAPA1_CARPA	80	41
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CYSP_TRYCR	40	38
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CTSK	40	47
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CTSL	38	40
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CAPNS1	65	39
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CTSS	16	44
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CAPN1	82	43
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CASP1	26	42
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	CAPN2	132	43
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	TGM2	17	40
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	TPSAB1	17	43
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	NPR	83	47
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	PSMB5	47	40
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	Q6PRC7_IXORI	42	34
CC[C@@H](C)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292511	FD	On-Demand	Reactive	PDS	55	36
CN(C[C@@H]1COCCO1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292518	GC	On-Demand	Reactive	CTSB	26	43
CN(C[C@@H]1COCCO1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292518	GC	On-Demand	Reactive	CTSK	21	43
CN(C[C@@H]1COCCO1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292518	GC	On-Demand	Reactive	CAPNS1	51	31
CN(C[C@@H]1COCCO1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292518	GC	On-Demand	Reactive	CAPN1	42	37
CN(C[C@@H]1COCCO1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292518	GC	On-Demand	Reactive	CAPN2	73	37
CN(C[C@@H]1COCCO1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292518	GC	On-Demand	Reactive	KLK5	40	36
CN(C[C@@H]1COCCO1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292518	GC	On-Demand	Reactive	NPR	64	36
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3nccn3C(F)F)CC2)C1	ZINC000852292564	GI	On-Demand	Anodyne	GPR119	28	43
O=C(c1ccc(CN(CCOCCO)C2CCC2)cc1)N1CCCC1	ZINC000852292565	EE	On-Demand	Anodyne	L3MBTL3	77	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3nccn3C(F)F)CC2)C1	ZINC000852292568	GI	On-Demand	Anodyne	GPR119	28	43
C[C@@]1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1(F)F	ZINC000852292582	FD	On-Demand	Reactive	PAPA1_CARPA	44	34
C[C@@]1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1(F)F	ZINC000852292582	FD	On-Demand	Reactive	CTSK	22	44
C[C@@]1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1(F)F	ZINC000852292582	FD	On-Demand	Reactive	CTSL	20	44
C[C@@]1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1(F)F	ZINC000852292582	FD	On-Demand	Reactive	CAPNS1	56	32
C[C@@]1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1(F)F	ZINC000852292582	FD	On-Demand	Reactive	CAPN1	48	35
C[C@@]1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1(F)F	ZINC000852292582	FD	On-Demand	Reactive	CAPN2	78	34
C[C@@]1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1(F)F	ZINC000852292582	FD	On-Demand	Reactive	NPR	65	36
C[C@@]1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1(F)F	ZINC000852292582	FD	On-Demand	Reactive	SLC12A5	42	35
Cn1cc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cn1	ZINC000852292596	FG	On-Demand	Anodyne	GPR119	36	41
Cn1cc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cn1	ZINC000852292597	FG	On-Demand	Anodyne	GPR119	36	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cscn3)CC2)C1	ZINC000852292607	FI	On-Demand	Anodyne	SCN5A	42	34
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cscn3)CC2)C1	ZINC000852292607	FI	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cscn3)CC2)C1	ZINC000852292608	FI	On-Demand	Anodyne	SCN5A	42	34
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cscn3)CC2)C1	ZINC000852292608	FI	On-Demand	Anodyne	GPR119	32	43
Cc1cccc(C(=O)NNC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)n1	ZINC000852292617	ED	On-Demand	Reactive	SOAT1	21	40
Cc1cccc(C(=O)NNC(=O)NC[C@H](O)[C@H](C)c2ccccc2)n1	ZINC000852292618	ED	On-Demand	Reactive	SOAT1	21	40
Cc1cccc(C(=O)NNC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)n1	ZINC000852292619	ED	On-Demand	Reactive	SOAT1	21	40
Cc1cccc(C(=O)NNC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)n1	ZINC000852292620	ED	On-Demand	Reactive	SOAT1	21	40
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)o1	ZINC000852292621	GC	On-Demand	Reactive	PAPA1_CARPA	42	37
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)o1	ZINC000852292621	GC	On-Demand	Reactive	CTSK	19	47
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)o1	ZINC000852292621	GC	On-Demand	Reactive	CAPNS1	52	32
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)o1	ZINC000852292621	GC	On-Demand	Reactive	CAPN1	49	36
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)o1	ZINC000852292621	GC	On-Demand	Reactive	CAPN2	76	35
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)o1	ZINC000852292621	GC	On-Demand	Reactive	NPR	65	35
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852292654	DD	On-Demand	Reactive	CACNA1C	51	37
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852292654	DD	On-Demand	Reactive	CACNA1D	82	37
CC[C@H](C)N(CC)CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852292658	EF	On-Demand	Anodyne	MTOR	57	39
CC[C@H](C)N(CC)CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852292658	EF	On-Demand	Anodyne	STAT6	51	31
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852292693	GH	On-Demand	Anodyne	BCL2A1	42	33
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1ccccc1Cl	ZINC000852292696	DE	On-Demand	Reactive	ECR	47	39
O=C(NCc1cccnc1F)N1CCC[C@H](C2CCCCC2)C1	ZINC000852292713	DH	On-Demand	Anodyne	C3AR1	18	45
O=C(NCc1cccnc1F)N1CCC[C@H](C2CCCCC2)C1	ZINC000852292713	DH	On-Demand	Anodyne	EPHX2	15	42
O=C(NCc1cccnc1F)N1CCC[C@@H](C2CCCCC2)C1	ZINC000852292714	DH	On-Demand	Anodyne	C3AR1	18	45
O=C(NCc1cccnc1F)N1CCC[C@@H](C2CCCCC2)C1	ZINC000852292714	DH	On-Demand	Anodyne	EPHX2	15	42
O=C(NCc1cccnc1F)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852292735	DE	On-Demand	Anodyne	C3AR1	33	46
O=C(NCc1cccnc1F)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852292735	DE	On-Demand	Anodyne	EPHX2	21	45
O=C(NCc1cccnc1F)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852292736	DE	On-Demand	Anodyne	C3AR1	33	46
O=C(NCc1cccnc1F)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852292736	DE	On-Demand	Anodyne	EPHX2	21	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN(C(C)=O)C3)C2)cc1	ZINC000852292739	FD	On-Demand	Clean	MTNR1A	16	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN(C(C)=O)C3)C2)cc1	ZINC000852292739	FD	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN(C(C)=O)C3)C2)cc1	ZINC000852292739	FD	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN(C(C)=O)C3)C2)cc1	ZINC000852292740	FD	On-Demand	Clean	MTNR1A	16	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN(C(C)=O)C3)C2)cc1	ZINC000852292740	FD	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN(C(C)=O)C3)C2)cc1	ZINC000852292740	FD	On-Demand	Clean	EPHX2	15	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)NC(N)=O)CC2)C1	ZINC000852292791	FD	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(=O)NC(N)=O)CC2)C1	ZINC000852292794	FD	On-Demand	Anodyne	GPR119	17	40
Cn1ncnc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852292815	FF	On-Demand	Anodyne	GPR119	34	43
Cn1ncnc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852292818	FF	On-Demand	Anodyne	GPR119	34	43
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292841	GB	On-Demand	Reactive	PAPA1_CARPA	46	36
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292841	GB	On-Demand	Reactive	CYSP_TRYCR	40	33
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292841	GB	On-Demand	Reactive	CTSK	25	44
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292841	GB	On-Demand	Reactive	CAPNS1	54	34
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292841	GB	On-Demand	Reactive	CAPN1	59	36
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292841	GB	On-Demand	Reactive	CAPN2	95	36
CN(Cc1cn(C)nn1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292841	GB	On-Demand	Reactive	NPR	68	37
CC(=O)N1CCC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852292854	ED	On-Demand	Reactive	CACNA1I	55	32
CC(=O)N1CCC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852292864	ED	On-Demand	Reactive	CACNA1I	55	32
O=C(NCc1cccnc1F)N1CCC(c2ccco2)CC1	ZINC000852292888	DF	On-Demand	Anodyne	EPHX2	20	44
Cc1cnc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cn1	ZINC000852292903	FH	On-Demand	Anodyne	GPR119	37	43
Cc1cnc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cn1	ZINC000852292904	FH	On-Demand	Anodyne	GPR119	37	43
CC[C@H](C)N(CC)CC(=O)Nc1cccnc1Cl	ZINC000852292915	CF	On-Demand	Anodyne	G2YM83_BOTF4	71	37
CC[C@H](C)N(CC)CC(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852292933	CE	On-Demand	Anodyne	ENPP1	45	33
CC[C@H](C)N(CC)CC(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000852292934	DE	On-Demand	Anodyne	CA4	16	48
O=C(NCc1cccnc1F)N1CCC(N2CCOC2=O)CC1	ZINC000852292937	DD	On-Demand	Anodyne	CALCRL	47	34
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CELA1	17	40
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CASP3	23	42
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	BMP1	19	41
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	KLK3	75	38
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CTSB	64	45
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	PAPA1_CARPA	79	39
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CYSP_TRYCR	46	39
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CTSK	36	45
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CAPNS1	69	39
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CTSS	17	45
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CAPN1	90	45
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CASP1	26	41
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CAPN2	138	45
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	CASP9	29	41
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	NPR	89	43
CO[C@@H](C)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292950	EC	On-Demand	Reactive	PSMB5	28	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21	ZINC000852292952	FD	On-Demand	Reactive	PREP	23	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21	ZINC000852292952	FD	On-Demand	Reactive	NPR	46	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21	ZINC000852292954	FD	On-Demand	Reactive	PREP	23	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21	ZINC000852292954	FD	On-Demand	Reactive	NPR	46	32
O=C(NCc1cccnc1F)N1CCc2nccnc2C1	ZINC000852292955	CD	On-Demand	Anodyne	MAPK1	19	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	ZINC000852292956	FD	On-Demand	Reactive	PREP	23	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	ZINC000852292956	FD	On-Demand	Reactive	NPR	46	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12	ZINC000852292958	FD	On-Demand	Reactive	PREP	23	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12	ZINC000852292958	FD	On-Demand	Reactive	NPR	46	32
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292964	GE	On-Demand	Reactive	PREP	23	42
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292964	GE	On-Demand	Reactive	PSMB5	18	43
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292966	GE	On-Demand	Reactive	PREP	23	42
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292966	GE	On-Demand	Reactive	PSMB5	18	43
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292968	GE	On-Demand	Reactive	PREP	23	42
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292968	GE	On-Demand	Reactive	PSMB5	18	43
CC[C@H](C)N(CC)Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000852292969	CG	On-Demand	Bother	COLA	98	40
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292970	GE	On-Demand	Reactive	PREP	23	42
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852292970	GE	On-Demand	Reactive	PSMB5	18	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccccn3)CC2)C1	ZINC000852292972	FH	On-Demand	Anodyne	GPR119	44	54
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccccn3)CC2)C1	ZINC000852292974	FH	On-Demand	Anodyne	GPR119	44	54
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000852292975	DD	On-Demand	Reactive	MMP8	26	40
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000852292975	DD	On-Demand	Reactive	GSR	15	43
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000852292975	DD	On-Demand	Reactive	MMP1	20	40
O=C(NCc1cccnc1F)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852292984	DF	On-Demand	Anodyne	EPHX2	17	43
Cc1cccc(C(=O)NNC(=O)N2CC[C@H](N(C)c3ccccc3)C2)n1	ZINC000852292985	FD	On-Demand	Reactive	CCR5	18	41
O=C(NCc1cccnc1F)N1CCC([C@H]2CCCCO2)CC1	ZINC000852292986	DF	On-Demand	Anodyne	EPHX2	17	43
CC[C@H](C)N(CC)C[C@H](O)c1cccc(Cl)c1	ZINC000852292990	CG	On-Demand	Anodyne	ADRB3	31	40
CC[C@H](C)N(CC)C[C@H](O)c1cccc(Cl)c1	ZINC000852292990	CG	On-Demand	Anodyne	AOC3	16	41
CC[C@H](C)N(CC)C[C@@H](O)c1cccc(Cl)c1	ZINC000852292992	CG	On-Demand	Anodyne	ADRB3	31	40
CC[C@H](C)N(CC)C[C@@H](O)c1cccc(Cl)c1	ZINC000852292992	CG	On-Demand	Anodyne	AOC3	16	41
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)n1	ZINC000852292994	FD	On-Demand	Reactive	CCR5	18	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	PRSS1	15	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	ACE	36	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	FKBP1A	27	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CELA1	21	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	GRIN2B	21	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	ELANE	21	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CTRA_BOVIN	49	31
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CTSB	32	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CTSK	31	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CTSL	39	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	PREP	58	54
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CAPNS1	55	31
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CELA2A	40	31
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	LGMN	54	39
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CAPN1	50	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	CAPN2	60	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	TGM2	44	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	KLK5	40	38
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	TPSAB1	24	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	NPR	54	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	F13A1	34	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	BIRC2	18	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852293001	GE	On-Demand	Reactive	SLC12A5	63	36
CCC(C)(C)[C@@H](C)NC(=O)NCc1cccnc1F	ZINC000852293003	CF	On-Demand	Anodyne	ANPEP	16	42
O=C(NCc1cccnc1F)NC1CCN([C@H]2CCOC2)CC1	ZINC000852293004	DD	On-Demand	Anodyne	C3AR1	19	41
O=C(NCc1cccnc1F)NC1CCN([C@H]2CCOC2)CC1	ZINC000852293004	DD	On-Demand	Anodyne	EPHX2	17	42
O=C(NCc1cccnc1F)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852293005	DD	On-Demand	Anodyne	C3AR1	19	41
O=C(NCc1cccnc1F)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852293005	DD	On-Demand	Anodyne	EPHX2	17	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	PRSS1	15	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	ACE	36	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	FKBP1A	27	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CELA1	21	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	GRIN2B	21	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	ELANE	21	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CTRA_BOVIN	49	31
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CTSB	32	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CTSK	31	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CTSL	39	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	PREP	58	54
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CAPNS1	55	31
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CELA2A	40	31
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	LGMN	54	39
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CAPN1	50	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	CAPN2	60	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	TGM2	44	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	KLK5	40	38
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	TPSAB1	24	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	NPR	54	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	F13A1	34	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	BIRC2	18	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852293007	GE	On-Demand	Reactive	SLC12A5	63	36
CCN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852293010	CG	On-Demand	Anodyne	GPR119	26	42
CCN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852293011	CG	On-Demand	Anodyne	GPR119	26	42
C[C@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)c2ncnn21	ZINC000852293015	GC	On-Demand	Reactive	NPR	48	32
CC[C@H](C)N(CC)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1	ZINC000852293020	EF	On-Demand	Anodyne	PRNP	47	50
CC[C@H](C)N(CC)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852293029	EF	On-Demand	Anodyne	CA2	21	45
CC[C@H](C)N(CC)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852293029	EF	On-Demand	Anodyne	CA1	18	45
CC[C@H](C)N(CC)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852293029	EF	On-Demand	Anodyne	CA4	26	42
Cc1cccc(C(=O)NNC(=O)N2CCc3nccnc3C2)n1	ZINC000852293099	DC	On-Demand	Reactive	P2RY14	42	32
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1	ZINC000852293106	GC	On-Demand	Reactive	PAPA1_CARPA	41	35
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1	ZINC000852293106	GC	On-Demand	Reactive	CTSK	19	44
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1	ZINC000852293106	GC	On-Demand	Reactive	CAPNS1	48	34
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1	ZINC000852293106	GC	On-Demand	Reactive	CAPN1	44	36
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1	ZINC000852293106	GC	On-Demand	Reactive	CAPN2	71	33
Cc1nnc(CN(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)s1	ZINC000852293106	GC	On-Demand	Reactive	NPR	69	37
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)n1	ZINC000852293120	FD	On-Demand	Reactive	DRD2	22	44
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)n1	ZINC000852293120	FD	On-Demand	Reactive	SIGMAR1	15	43
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)n1	ZINC000852293121	FD	On-Demand	Reactive	DRD2	22	44
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)n1	ZINC000852293121	FD	On-Demand	Reactive	SIGMAR1	15	43
Cc1cccc(C(=O)NNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)n1	ZINC000852293123	ED	On-Demand	Reactive	CCR3	82	39
Cc1cccc(C(=O)NNC(=O)NC[C@H]2CCCN(CC3CC3)C2)n1	ZINC000852293125	ED	On-Demand	Reactive	CCR3	82	39
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCc1ccco1	ZINC000852293134	FD	On-Demand	Reactive	CAPN1	24	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCc1ccco1	ZINC000852293134	FD	On-Demand	Reactive	CAPN2	58	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCc1ccco1	ZINC000852293134	FD	On-Demand	Reactive	NPR	59	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@H]1[C@H](CO)C2	ZINC000852293146	GC	On-Demand	Reactive	PREP	24	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@H]1[C@@H](CO)C2	ZINC000852293148	GC	On-Demand	Reactive	PREP	24	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852293181	EB	On-Demand	Reactive	CTSK	27	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852293181	EB	On-Demand	Reactive	PREP	19	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852293181	EB	On-Demand	Reactive	NPR	51	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852293181	EB	On-Demand	Reactive	NAAA	55	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852293183	EB	On-Demand	Reactive	CTSK	27	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852293183	EB	On-Demand	Reactive	PREP	19	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852293183	EB	On-Demand	Reactive	NPR	51	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852293183	EB	On-Demand	Reactive	NAAA	55	44
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	PRSS1	15	40
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	CELA1	20	43
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	GRIN2B	20	43
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	ELANE	18	42
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	CTSK	20	40
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	CTSL	24	40
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	PREP	43	50
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	LGMN	51	36
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	TGM2	50	44
C=CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293198	FD	On-Demand	Reactive	F13A1	38	42
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	PRSS1	15	40
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	CELA1	20	43
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	GRIN2B	20	43
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	ELANE	18	42
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	CTSK	20	40
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	CTSL	24	40
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	PREP	43	50
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	LGMN	51	36
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	TGM2	50	44
C=CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293199	FD	On-Demand	Reactive	F13A1	38	42
Cc1ccncc1CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293206	GD	On-Demand	Reactive	CTSB	20	40
Cc1ccncc1CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293206	GD	On-Demand	Reactive	CAPN2	59	38
Cc1ccncc1CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293206	GD	On-Demand	Reactive	NPR	62	39
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3ccccn3)CC2)C1	ZINC000852293210	FH	On-Demand	Anodyne	HTR4	15	44
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3ccccn3)CC2)C1	ZINC000852293210	FH	On-Demand	Anodyne	BIRC2	15	46
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3ccccn3)CC2)C1	ZINC000852293210	FH	On-Demand	Anodyne	GPR119	39	52
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3ccccn3)CC2)C1	ZINC000852293212	FH	On-Demand	Anodyne	HTR4	15	44
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3ccccn3)CC2)C1	ZINC000852293212	FH	On-Demand	Anodyne	BIRC2	15	46
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3ccccn3)CC2)C1	ZINC000852293212	FH	On-Demand	Anodyne	GPR119	39	52
CC[C@H](C)N(CC)CC(=O)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852293213	EG	On-Demand	Anodyne	CNR2	27	40
N#CC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CCCCC1	ZINC000852293232	GD	On-Demand	Reactive	CTSK	25	51
N#CC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CCCCC1	ZINC000852293232	GD	On-Demand	Reactive	PREP	16	47
N#CC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CCCCC1	ZINC000852293232	GD	On-Demand	Reactive	NPR	54	33
N#CC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CCCCC1	ZINC000852293232	GD	On-Demand	Reactive	NPFFR1	40	36
N#CC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CCCCC1	ZINC000852293232	GD	On-Demand	Reactive	SLC12A5	49	36
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccno3)CC2)C1	ZINC000852293235	EH	On-Demand	Anodyne	GPR119	34	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccno3)CC2)C1	ZINC000852293237	EH	On-Demand	Anodyne	GPR119	34	43
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)n1	ZINC000852293242	GE	On-Demand	Reactive	ADAM17	25	40
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)n1	ZINC000852293242	GE	On-Demand	Reactive	SSTR3	34	47
C#C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293244	GC	On-Demand	Reactive	PAPA1_CARPA	45	34
C#C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293244	GC	On-Demand	Reactive	CTSK	27	40
C#C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293244	GC	On-Demand	Reactive	PREP	20	41
C#C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293244	GC	On-Demand	Reactive	CAPNS1	42	31
C#C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293244	GC	On-Demand	Reactive	CAPN1	42	36
C#C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293244	GC	On-Demand	Reactive	CAPN2	70	34
C#C[C@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293244	GC	On-Demand	Reactive	NPR	61	34
C#C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293246	GC	On-Demand	Reactive	PAPA1_CARPA	45	34
C#C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293246	GC	On-Demand	Reactive	CTSK	27	40
C#C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293246	GC	On-Demand	Reactive	PREP	20	41
C#C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293246	GC	On-Demand	Reactive	CAPNS1	42	31
C#C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293246	GC	On-Demand	Reactive	CAPN1	42	36
C#C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293246	GC	On-Demand	Reactive	CAPN2	70	34
C#C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852293246	GC	On-Demand	Reactive	NPR	61	34
O=C(NCc1cccnc1F)NCc1cccnc1N1CCCC1	ZINC000852293247	EE	On-Demand	Anodyne	TRPV1	25	41
O=C(NCc1cccnc1F)NCc1cccnc1N1CCCC1	ZINC000852293247	EE	On-Demand	Anodyne	P2RX7	15	43
O=C(NCc1cccnc1F)NCc1cccnc1N1CCCC1	ZINC000852293247	EE	On-Demand	Anodyne	SCN2A	20	49
O=C(NCc1cccnc1F)NCc1cccnc1N1CCCC1	ZINC000852293247	EE	On-Demand	Anodyne	SCN10A	22	49
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccon3)CC2)C1	ZINC000852293248	EH	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccon3)CC2)C1	ZINC000852293249	EH	On-Demand	Anodyne	GPR119	31	40
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293257	FD	On-Demand	Reactive	CELA1	20	41
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293257	FD	On-Demand	Reactive	GRIN2B	21	41
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293257	FD	On-Demand	Reactive	CTSB	23	41
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293257	FD	On-Demand	Reactive	CTSK	31	47
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293257	FD	On-Demand	Reactive	CTSL	31	47
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293257	FD	On-Demand	Reactive	PREP	47	57
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293257	FD	On-Demand	Reactive	LGMN	72	42
N#CC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293257	FD	On-Demand	Reactive	CTSS	35	41
N#CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293258	FD	On-Demand	Reactive	CELA1	20	41
N#CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293258	FD	On-Demand	Reactive	GRIN2B	21	41
N#CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293258	FD	On-Demand	Reactive	CTSB	23	41
N#CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293258	FD	On-Demand	Reactive	CTSK	31	47
N#CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293258	FD	On-Demand	Reactive	CTSL	31	47
N#CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293258	FD	On-Demand	Reactive	PREP	47	57
N#CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293258	FD	On-Demand	Reactive	LGMN	72	42
N#CC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293258	FD	On-Demand	Reactive	CTSS	35	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cccnc1F	ZINC000852293263	DG	On-Demand	Anodyne	P2RX7	43	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cccnc1F	ZINC000852293265	DG	On-Demand	Anodyne	P2RX7	43	40
O=C(NCc1cccnc1F)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852293267	FG	On-Demand	Anodyne	P2RX7	40	39
O=C(NCc1cccnc1F)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852293267	FG	On-Demand	Anodyne	EPHX2	19	42
O=C(NCc1cccnc1F)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852293269	FG	On-Demand	Anodyne	P2RX7	40	39
O=C(NCc1cccnc1F)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852293269	FG	On-Demand	Anodyne	EPHX2	19	42
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccccc3F)cc2)C[C@@H](C)O1	ZINC000852293281	JE	On-Demand	Anodyne	TRPV1	45	32
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCc3ccccc3F)cc2)C[C@@H](C)O1	ZINC000852293282	JE	On-Demand	Anodyne	TRPV1	45	32
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCc3ccccc3F)cc2)C[C@@H](C)O1	ZINC000852293283	JE	On-Demand	Anodyne	TRPV1	45	32
O=C(NCc1cccnc1F)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852293286	FF	On-Demand	Anodyne	SSTR3	37	47
CC(=O)N1CCC[C@@H](CNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852293290	FE	On-Demand	Anodyne	F2	17	41
CC(=O)N1CCC[C@@H](CNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852293291	FE	On-Demand	Anodyne	F2	17	41
CC(=O)N1CCC[C@H](CNC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852293292	FE	On-Demand	Anodyne	F2	17	41
CC(=O)N1CCC[C@H](CNC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852293293	FE	On-Demand	Anodyne	F2	17	41
CC(=O)N1CCC[C@@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293304	GF	On-Demand	Anodyne	TACR2	41	34
CC(=O)N1CCC[C@@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293304	GF	On-Demand	Anodyne	CCR3	30	45
CC(=O)N1CCC[C@@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293304	GF	On-Demand	Anodyne	CACNA1I	49	38
CC(=O)N1CCC[C@@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293305	GF	On-Demand	Anodyne	TACR2	41	34
CC(=O)N1CCC[C@@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293305	GF	On-Demand	Anodyne	CCR3	30	45
CC(=O)N1CCC[C@@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293305	GF	On-Demand	Anodyne	CACNA1I	49	38
CC(=O)N1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293306	GF	On-Demand	Anodyne	TACR2	41	34
CC(=O)N1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293306	GF	On-Demand	Anodyne	CCR3	30	45
CC(=O)N1CCC[C@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293306	GF	On-Demand	Anodyne	CACNA1I	49	38
CC(=O)N1CCC[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293307	GF	On-Demand	Anodyne	TACR2	41	34
CC(=O)N1CCC[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293307	GF	On-Demand	Anodyne	CCR3	30	45
CC(=O)N1CCC[C@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852293307	GF	On-Demand	Anodyne	CACNA1I	49	38
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	KLK3	84	41
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	CTSB	53	42
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	PAPA1_CARPA	75	38
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	CTSK	32	42
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	CTSL	34	41
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	CAPNS1	60	34
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	CAPN1	74	43
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	CAPN2	107	41
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	NPR	69	38
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	PSMB5	30	47
C=C[C@H](CO)NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293345	EB	On-Demand	Reactive	QRFPR	17	42
Cc1cccc(C(=O)NNC(=O)N[C@H]2CCN(C3CCCCC3)C2)n1	ZINC000852293356	ED	On-Demand	Reactive	SLC6A5	18	42
Cc1cccc(C(=O)NNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)n1	ZINC000852293357	ED	On-Demand	Reactive	SLC6A5	18	42
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293371	GC	On-Demand	Reactive	CTSB	46	47
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293371	GC	On-Demand	Reactive	CTSK	29	47
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293371	GC	On-Demand	Reactive	PREP	21	42
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293371	GC	On-Demand	Reactive	CAPNS1	60	34
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293371	GC	On-Demand	Reactive	CTSS	16	47
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293371	GC	On-Demand	Reactive	CAPN1	66	36
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293371	GC	On-Demand	Reactive	CAPN2	110	36
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852293371	GC	On-Demand	Reactive	NPR	69	38
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCn3cncn3)CC2)C1	ZINC000852293390	FF	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCn3cncn3)CC2)C1	ZINC000852293391	FF	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)NC3CC3)CC2)C1	ZINC000852293396	FF	On-Demand	Anodyne	GPR119	16	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(=O)NC3CC3)CC2)C1	ZINC000852293397	FF	On-Demand	Anodyne	GPR119	16	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	ACE	20	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	FKBP1A	24	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	CELA1	20	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	GRIN2B	34	47
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	CTSB	29	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	CTSK	30	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	PREP	46	53
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	CAPNS1	41	30
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	CTSS	29	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	CAPN2	63	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	TGM2	45	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	TPSAB1	19	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	NPR	57	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	F13A1	42	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	BIRC2	18	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC(C2CCC2)CC1	ZINC000852293404	GE	On-Demand	Reactive	SLC12A5	68	37
CCSC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1	ZINC000852293431	GD	On-Demand	Reactive	PAPA1_CARPA	44	33
CCSC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1	ZINC000852293431	GD	On-Demand	Reactive	CTSK	22	42
CCSC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1	ZINC000852293431	GD	On-Demand	Reactive	CTSL	20	42
CCSC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1	ZINC000852293431	GD	On-Demand	Reactive	CAPNS1	52	33
CCSC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1	ZINC000852293431	GD	On-Demand	Reactive	CAPN1	48	35
CCSC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1	ZINC000852293431	GD	On-Demand	Reactive	CAPN2	85	35
CCSC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1	ZINC000852293431	GD	On-Demand	Reactive	NPR	62	35
CCSC1(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1	ZINC000852293431	GD	On-Demand	Reactive	SLC12A5	54	36
CCC(CC)(CNC(=O)NNC(=O)c1cccc(C)n1)c1ccc(F)cc1	ZINC000852293442	FG	On-Demand	Reactive	CACNA1G	36	40
O=c1cc(CN(CCOCCO)C2CCC2)c2ccc(O)cc2o1	ZINC000852293450	ED	On-Demand	Anodyne	HSD17B3	34	48
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCn3cccn3)CC2)C1	ZINC000852293454	FG	On-Demand	Anodyne	GPR119	19	44
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCn3cccn3)CC2)C1	ZINC000852293455	FG	On-Demand	Anodyne	GPR119	19	44
CCOC(=O)N1CCN(C(=O)CN(CC)[C@H](C)CC)CC1	ZINC000852293459	CD	On-Demand	Anodyne	CHRNA3	16	40
CCOC(=O)N1CCN(C(=O)CN(CC)[C@@H](C)CC)CC1	ZINC000852293461	CD	On-Demand	Anodyne	CHRNA3	16	40
O=C(NO[C@H]1CCCCO1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852293501	EG	On-Demand	Anodyne	TRPM8	28	52
O=C(NO[C@@H]1CCCCO1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852293502	EG	On-Demand	Anodyne	TRPM8	28	52
O=C(NO[C@@H]1CCCCO1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852293521	FE	On-Demand	Anodyne	SSTR3	33	47
O=C(NO[C@H]1CCCCO1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852293523	FE	On-Demand	Anodyne	SSTR3	33	47
O=C(NCc1cccnc1F)N1CCC[C@H](C2CCC2)C1	ZINC000852293538	CF	On-Demand	Anodyne	EPHX2	16	45
O=C(NC[C@H]1CCN1Cc1ccccc1)NO[C@H]1CCCCO1	ZINC000852293539	DE	On-Demand	Anodyne	SIGMAR1	18	42
O=C(NCc1cccnc1F)N1CCC[C@@H](C2CCC2)C1	ZINC000852293540	CF	On-Demand	Anodyne	EPHX2	16	45
O=C(NC[C@@H]1CCN1Cc1ccccc1)NO[C@H]1CCCCO1	ZINC000852293541	DE	On-Demand	Anodyne	SIGMAR1	18	42
O=C(NC[C@H]1CCN1Cc1ccccc1)NO[C@@H]1CCCCO1	ZINC000852293543	DE	On-Demand	Anodyne	SIGMAR1	18	42
O=C(NC[C@@H]1CCN1Cc1ccccc1)NO[C@@H]1CCCCO1	ZINC000852293545	DE	On-Demand	Anodyne	SIGMAR1	18	42
CC[C@H](C)N(CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852293564	EE	On-Demand	Bother	SSTR1	54	52
CC[C@H](C)N(CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000852293573	EE	On-Demand	Clean	CCR1	21	40
CC[C@H](C)N(CC)CC(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852293584	DG	On-Demand	Anodyne	KCNQ2	55	52
CC[C@H](C)N(CC)CC(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852293584	DG	On-Demand	Anodyne	PRNP	40	37
O=C(NCc1cccnc1F)NC1CCC(C2CCC2)CC1	ZINC000852293596	DG	On-Demand	Anodyne	EPHX2	23	43
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCc1cccnc1F	ZINC000852293602	FH	On-Demand	Anodyne	P2RX7	51	38
CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	ZINC000852293607	IE	On-Demand	Anodyne	MMP3	17	40
CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	ZINC000852293607	IE	On-Demand	Anodyne	MMP7	15	40
CCCCCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	ZINC000852293608	IE	On-Demand	Anodyne	MMP3	17	40
CCCCCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1	ZINC000852293608	IE	On-Demand	Anodyne	MMP7	15	40
CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000852293609	IE	On-Demand	Anodyne	MMP3	17	40
CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000852293609	IE	On-Demand	Anodyne	MMP7	15	40
CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000852293610	IE	On-Demand	Anodyne	MMP3	17	40
CCCCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000852293610	IE	On-Demand	Anodyne	MMP7	15	40
O=C(NCc1cccnc1F)N1CCC(C2CCC2)CC1	ZINC000852293613	CF	On-Demand	Anodyne	EPHX2	28	51
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(NC(C)=O)ccc12	ZINC000852293629	DG	On-Demand	Anodyne	HSD17B3	20	43
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3nc(N)nc(N)n3)CC2)C1	ZINC000852293646	GD	On-Demand	Anodyne	GPR119	20	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3nc(N)nc(N)n3)CC2)C1	ZINC000852293647	GD	On-Demand	Anodyne	GPR119	20	40
Cc1cccc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CCCCC2)n1	ZINC000852293648	FD	On-Demand	Reactive	HCN1	51	31
Cc1cccc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CCCCC2)n1	ZINC000852293648	FD	On-Demand	Reactive	HCN4	48	31
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cnc4ccnn4c3)CC2)C1	ZINC000852293669	GH	On-Demand	Anodyne	DDR1	41	37
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cnc4ccnn4c3)CC2)C1	ZINC000852293669	GH	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cnc4ccnn4c3)CC2)C1	ZINC000852293670	GH	On-Demand	Anodyne	DDR1	41	37
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cnc4ccnn4c3)CC2)C1	ZINC000852293670	GH	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000852293677	FE	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCS(C)(=O)=O)CC2)C1	ZINC000852293678	FE	On-Demand	Anodyne	GPR119	32	42
Cc1cccc(C(=O)NNC(=O)N2CCC(C3CCC3)CC2)n1	ZINC000852293682	DE	On-Demand	Reactive	L3MBTL3	52	34
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCN3CCCC3)CC2)C1	ZINC000852293698	FG	On-Demand	Anodyne	GPR119	22	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCN3CCCC3)CC2)C1	ZINC000852293699	FG	On-Demand	Anodyne	GPR119	22	42
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	ELANE	25	41
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	CTSB	44	37
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	PAPA1_CARPA	51	36
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	CTSK	21	45
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	CTSL	25	41
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	CAPNS1	53	32
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	CAPN1	51	39
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	CAPN2	79	36
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	CYP3A4	28	47
CN(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852293709	FC	On-Demand	Reactive	NPR	66	38
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCCS(C)(=O)=O)CC2)C1	ZINC000852293722	GF	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCCS(C)(=O)=O)CC2)C1	ZINC000852293723	GF	On-Demand	Anodyne	GPR119	28	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1SCCS1	ZINC000852293746	GD	On-Demand	Reactive	CTSK	21	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1SCCS1	ZINC000852293746	GD	On-Demand	Reactive	PREP	19	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1SCCS1	ZINC000852293746	GD	On-Demand	Reactive	CAPNS1	42	30
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1SCCS1	ZINC000852293746	GD	On-Demand	Reactive	CAPN2	65	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCC1SCCS1	ZINC000852293746	GD	On-Demand	Reactive	NPR	60	34
CNC(=O)CC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCCCC1	ZINC000852293753	FD	On-Demand	Reactive	HCN1	50	31
CNC(=O)CC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCCCC1	ZINC000852293753	FD	On-Demand	Reactive	HCN4	48	31
CC[C@H](C)N(CC)C[C@H](O)c1ccc(F)cc1	ZINC000852293762	BF	On-Demand	Anodyne	AOC3	18	56
CN(c1ccccc1)[C@@H]1CCN(C(=O)NO[C@H]2CCCCO2)C1	ZINC000852293763	DE	On-Demand	Anodyne	AMY2	49	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NO[C@H]2CCCCO2)C1	ZINC000852293766	DE	On-Demand	Anodyne	AMY2	49	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NO[C@@H]2CCCCO2)C1	ZINC000852293768	DE	On-Demand	Anodyne	AMY2	49	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NO[C@@H]2CCCCO2)C1	ZINC000852293769	DE	On-Demand	Anodyne	AMY2	49	36
CC[C@H](C)N(CC)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852293770	FG	On-Demand	Anodyne	VIPR1	26	41
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(O)ccc12	ZINC000852293898	CG	On-Demand	Anodyne	HSD17B3	45	66
CC[C@H](C)N(CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000852293905	FE	On-Demand	Clean	NPY2R	69	36
CC[C@H](C)N(CC)C[C@@H](O)c1ccc(F)cc1	ZINC000852293941	BF	On-Demand	Anodyne	AOC3	18	56
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCO)CC2)C1	ZINC000852293945	DE	On-Demand	Anodyne	GPR119	22	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCO)CC2)C1	ZINC000852293946	DE	On-Demand	Anodyne	GPR119	22	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cccnc3)CC2)C1	ZINC000852293949	FH	On-Demand	Anodyne	ACHE	21	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cccnc3)CC2)C1	ZINC000852293949	FH	On-Demand	Anodyne	SIGMAR1	22	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cccnc3)CC2)C1	ZINC000852293949	FH	On-Demand	Anodyne	CHRNA7	46	37
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cccnc3)CC2)C1	ZINC000852293949	FH	On-Demand	Anodyne	GPR119	40	46
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cccnc3)CC2)C1	ZINC000852293950	FH	On-Demand	Anodyne	ACHE	21	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cccnc3)CC2)C1	ZINC000852293950	FH	On-Demand	Anodyne	SIGMAR1	22	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cccnc3)CC2)C1	ZINC000852293950	FH	On-Demand	Anodyne	CHRNA7	46	37
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cccnc3)CC2)C1	ZINC000852293950	FH	On-Demand	Anodyne	GPR119	40	46
Cc1cnc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)o1	ZINC000852293954	FH	On-Demand	Anodyne	GPR119	34	42
Cc1cnc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)o1	ZINC000852293955	FH	On-Demand	Anodyne	GPR119	34	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)Nc3ccon3)CC2)C1	ZINC000852293956	GF	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(=O)Nc3ccon3)CC2)C1	ZINC000852293957	GF	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3ccncc3)CC2)C1	ZINC000852293960	FH	On-Demand	Anodyne	GPR119	39	47
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3ccncc3)CC2)C1	ZINC000852293961	FH	On-Demand	Anodyne	GPR119	39	47
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)CN2CCC(C)CC2)n1	ZINC000852293970	ED	On-Demand	Reactive	PLD1	51	37
Cc1cccc(C(=O)NNC(=O)N[C@H](C)CN2CCC(C)CC2)n1	ZINC000852293971	ED	On-Demand	Reactive	PLD1	51	37
CNC(=O)CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852293974	EE	On-Demand	Anodyne	GPR119	18	42
CNC(=O)CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852293975	EE	On-Demand	Anodyne	GPR119	18	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852293976	GC	On-Demand	Reactive	PREP	21	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852293976	GC	On-Demand	Reactive	NPR	46	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852293976	GC	On-Demand	Reactive	NAAA	22	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852293976	GC	On-Demand	Reactive	SLC12A5	64	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852293977	GC	On-Demand	Reactive	PREP	21	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852293977	GC	On-Demand	Reactive	NPR	46	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852293977	GC	On-Demand	Reactive	NAAA	22	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852293977	GC	On-Demand	Reactive	SLC12A5	64	34
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccncc3)CC2)C1	ZINC000852293979	FH	On-Demand	Anodyne	ACHE	16	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccncc3)CC2)C1	ZINC000852293979	FH	On-Demand	Anodyne	SIGMAR1	20	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccncc3)CC2)C1	ZINC000852293979	FH	On-Demand	Anodyne	GPR119	47	48
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccncc3)CC2)C1	ZINC000852293980	FH	On-Demand	Anodyne	ACHE	16	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccncc3)CC2)C1	ZINC000852293980	FH	On-Demand	Anodyne	SIGMAR1	20	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccncc3)CC2)C1	ZINC000852293980	FH	On-Demand	Anodyne	GPR119	47	48
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)O1	ZINC000852293995	GD	On-Demand	Reactive	CTSK	22	40
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)O1	ZINC000852293995	GD	On-Demand	Reactive	CTSL	18	40
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)O1	ZINC000852293995	GD	On-Demand	Reactive	PREP	23	42
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)O1	ZINC000852293995	GD	On-Demand	Reactive	CAPN1	24	40
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)O1	ZINC000852293995	GD	On-Demand	Reactive	CAPN2	46	40
C[C@H]1CCC[C@@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)O1	ZINC000852293995	GD	On-Demand	Reactive	NPR	58	33
Cc1cccc(C(=O)NNC(=O)N2CC[C@H](C3CCCCC3)C2)n1	ZINC000852293996	EF	On-Demand	Reactive	L3MBTL3	45	32
Cc1cccc(C(=O)NNC(=O)N2CC[C@@H](C3CCCCC3)C2)n1	ZINC000852293997	EF	On-Demand	Reactive	L3MBTL3	45	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCC1SCCS1	ZINC000852294011	GD	On-Demand	Reactive	CTSK	21	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCC1SCCS1	ZINC000852294011	GD	On-Demand	Reactive	CTSL	20	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCC1SCCS1	ZINC000852294011	GD	On-Demand	Reactive	PREP	18	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCC1SCCS1	ZINC000852294011	GD	On-Demand	Reactive	CAPN2	59	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCC1SCCS1	ZINC000852294011	GD	On-Demand	Reactive	NPR	60	34
Cc1cccc(C(=O)NNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852294015	GF	On-Demand	Reactive	KCNH2	42	39
Cc1cccc(C(=O)NNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852294015	GF	On-Demand	Reactive	GLRA1	42	31
CC(=O)CCN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294036	EG	On-Demand	Anodyne	GPR119	19	40
CC(=O)CCN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294038	EG	On-Demand	Anodyne	GPR119	19	40
CN(CC1=CCCOC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294041	GC	On-Demand	Reactive	CTSK	20	44
CN(CC1=CCCOC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294041	GC	On-Demand	Reactive	CAPNS1	51	32
CN(CC1=CCCOC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294041	GC	On-Demand	Reactive	CAPN1	45	36
CN(CC1=CCCOC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294041	GC	On-Demand	Reactive	CAPN2	72	35
CN(CC1=CCCOC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294041	GC	On-Demand	Reactive	NPR	68	37
Cc1cccc(C(=O)NNC(=O)NCC2(C#N)CCCCC2)n1	ZINC000852294066	DD	On-Demand	Reactive	HCN1	51	31
Cc1cccc(C(=O)NNC(=O)NCC2(C#N)CCCCC2)n1	ZINC000852294066	DD	On-Demand	Reactive	HCN4	48	31
CC(C)(C)NC(=O)CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294087	GG	On-Demand	Anodyne	GPR119	16	41
CC(C)(C)NC(=O)CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294088	GG	On-Demand	Anodyne	GPR119	16	41
CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1	ZINC000852294113	JG	On-Demand	Anodyne	F13A1	41	32
CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1	ZINC000852294114	JG	On-Demand	Anodyne	F13A1	41	32
CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1	ZINC000852294115	JG	On-Demand	Anodyne	F13A1	41	32
CSc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1	ZINC000852294116	JG	On-Demand	Anodyne	F13A1	41	32
O=C(NCc1cccnc1F)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852294117	EE	On-Demand	Anodyne	SIGMAR1	21	40
O=C(NCc1cccnc1F)NC[C@H]1CCN1Cc1ccccc1	ZINC000852294118	EE	On-Demand	Anodyne	SIGMAR1	21	40
C[C@@H]1CCN(C(=O)NCc2cccnc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852294122	FD	On-Demand	Anodyne	EPHX2	23	44
CC[C@H](C)N(CC)Cc1nnc(-c2cccc(F)c2)o1	ZINC000852294128	CG	On-Demand	Anodyne	CYP73A16	15	47
CC[C@H](C)N(CC)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	ZINC000852294148	GE	On-Demand	Anodyne	AKR1B1	42	37
CC[C@H](C)N(CC)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	ZINC000852294149	GE	On-Demand	Anodyne	AKR1B1	42	37
O=C(NCc1cccnc1F)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852294155	DE	On-Demand	Anodyne	CHRM4	15	42
O=C(NCc1cccnc1F)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852294155	DE	On-Demand	Anodyne	CCR3	74	38
O=C(NCc1cccnc1F)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852294156	DE	On-Demand	Anodyne	CHRM4	15	42
O=C(NCc1cccnc1F)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852294156	DE	On-Demand	Anodyne	CCR3	74	38
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	KLK3	60	36
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	CTSB	48	42
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	PAPA1_CARPA	47	37
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	CTSK	27	42
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	CTSL	27	42
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	CAPNS1	61	35
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	CAPN1	73	43
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	CAPN2	109	41
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	NPR	74	38
CC[C@H](C)N(CC)CC(=O)OCc1ccccc1	ZINC000852294159	BF	On-Demand	Anodyne	Q6PRC7_IXORI	42	35
CC(C)c1ccc2c(c1)CN(C(=O)NCc1cccnc1F)CC2	ZINC000852294173	EH	On-Demand	Anodyne	MAPK1	50	42
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852294183	CG	On-Demand	Anodyne	CYP19A1	16	53
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852294183	CG	On-Demand	Anodyne	CYP11B1	17	44
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852294183	CG	On-Demand	Anodyne	MAOA	49	35
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852294183	CG	On-Demand	Anodyne	MAOB	45	44
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852294183	CG	On-Demand	Anodyne	HSD17B3	16	43
CCC1(CC)CCCN(C(=O)NCc2cccnc2F)C1	ZINC000852294188	CG	On-Demand	Anodyne	EPHX2	15	44
O=C(NCc1cccnc1F)NCC1CCN(Cc2ccncc2)CC1	ZINC000852294189	FE	On-Demand	Anodyne	ACHE	31	45
O=C(NCc1cccnc1F)NCC1CCN(Cc2ccncc2)CC1	ZINC000852294189	FE	On-Demand	Anodyne	SIGMAR1	33	47
O=C(NCc1cccnc1F)NCC1CCN(Cc2ccncc2)CC1	ZINC000852294189	FE	On-Demand	Anodyne	CCR3	56	43
O=C(NCc1cccnc1F)NCC1CCN(Cc2ccncc2)CC1	ZINC000852294189	FE	On-Demand	Anodyne	CACNA1I	60	39
COc1ccc([C@@H]2CCCN2C(=O)NCc2cccnc2F)cc1F	ZINC000852294192	EG	On-Demand	Anodyne	ACKR3	63	33
C[C@@]12COC[C@@H]1CN(C(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2	ZINC000852294211	GC	On-Demand	Reactive	CTRA_BOVIN	49	30
C[C@@]12COC[C@@H]1CN(C(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2	ZINC000852294211	GC	On-Demand	Reactive	PREP	22	40
C[C@@]12COC[C@@H]1CN(C(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2	ZINC000852294211	GC	On-Demand	Reactive	NPR	60	35
C[C@@]12COC[C@H]1CN(C(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2	ZINC000852294214	GC	On-Demand	Reactive	CTRA_BOVIN	49	30
C[C@@]12COC[C@H]1CN(C(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2	ZINC000852294214	GC	On-Demand	Reactive	PREP	22	40
C[C@@]12COC[C@H]1CN(C(=O)NNC(=O)CNC(=O)OCc1ccccc1)C2	ZINC000852294214	GC	On-Demand	Reactive	NPR	60	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	GRIN2B	21	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	CTSB	30	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	CTSK	28	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	CTSL	35	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	PREP	28	49
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	CAPNS1	42	30
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	CAPN1	40	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	CAPN2	63	34
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	TPSAB1	17	44
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852294217	FD	On-Demand	Reactive	NPR	59	34
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(=O)N3CCCC3)CC2)C1	ZINC000852294220	GF	On-Demand	Anodyne	GPR119	18	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)N3CCCC3)CC2)C1	ZINC000852294221	GF	On-Demand	Anodyne	GPR119	18	40
CN(CC1=CCSC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294224	GD	On-Demand	Reactive	CTSB	33	45
CN(CC1=CCSC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294224	GD	On-Demand	Reactive	CTSK	22	45
CN(CC1=CCSC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294224	GD	On-Demand	Reactive	PREP	15	40
CN(CC1=CCSC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294224	GD	On-Demand	Reactive	CAPNS1	57	32
CN(CC1=CCSC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294224	GD	On-Demand	Reactive	CAPN1	51	37
CN(CC1=CCSC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294224	GD	On-Demand	Reactive	CAPN2	83	34
CN(CC1=CCSC1)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294224	GD	On-Demand	Reactive	NPR	66	36
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294225	FD	On-Demand	Reactive	GRIN2B	17	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294225	FD	On-Demand	Reactive	ELANE	15	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294225	FD	On-Demand	Reactive	CTSK	23	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294225	FD	On-Demand	Reactive	PREP	26	45
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294225	FD	On-Demand	Reactive	CAPN2	51	33
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294225	FD	On-Demand	Reactive	NPR	56	33
C#CCN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294241	DF	On-Demand	Mild	GPR119	21	41
C#CCN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294242	DF	On-Demand	Mild	GPR119	21	41
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	FKBP1A	15	40
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	GRIN2B	20	42
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	CTRA_BOVIN	62	33
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	CTSB	21	40
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	CTSG	42	33
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	CTSK	25	40
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	PREP	26	44
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	CELA2A	51	33
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	CAPN2	50	34
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	NPR	57	34
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294253	GD	On-Demand	Reactive	SLC12A5	61	36
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	FKBP1A	15	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	GRIN2B	20	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	CTRA_BOVIN	62	33
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	CTSB	21	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	CTSG	42	33
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	CTSK	25	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	PREP	26	44
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	CELA2A	51	33
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	CAPN2	50	34
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	NPR	57	34
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294254	GD	On-Demand	Reactive	SLC12A5	61	36
COC1CC(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294255	GD	On-Demand	Reactive	CTSK	23	42
COC1CC(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294255	GD	On-Demand	Reactive	CAPNS1	48	33
COC1CC(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294255	GD	On-Demand	Reactive	CAPN1	42	35
COC1CC(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294255	GD	On-Demand	Reactive	CAPN2	73	33
COC1CC(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294255	GD	On-Demand	Reactive	NPR	61	35
CCc1cnc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)o1	ZINC000852294261	GI	On-Demand	Anodyne	GPR119	27	41
CCc1cnc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)o1	ZINC000852294262	GI	On-Demand	Anodyne	GPR119	27	41
Cn1cc(CCN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cn1	ZINC000852294273	GG	On-Demand	Anodyne	GPR119	34	40
Cn1cc(CCN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cn1	ZINC000852294274	GG	On-Demand	Anodyne	GPR119	34	40
Cc1cccc(C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)n1	ZINC000852294279	ED	On-Demand	Reactive	HTR4	56	43
Cc1cccc(C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)n1	ZINC000852294279	ED	On-Demand	Reactive	CACNA1I	66	39
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294282	GD	On-Demand	Reactive	CTSB	46	33
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294282	GD	On-Demand	Reactive	PAPA1_CARPA	45	34
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294282	GD	On-Demand	Reactive	CTSK	23	45
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294282	GD	On-Demand	Reactive	CAPNS1	57	32
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294282	GD	On-Demand	Reactive	CAPN1	53	36
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294282	GD	On-Demand	Reactive	CAPN2	85	35
CC(C)(C)C(F)(F)CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294282	GD	On-Demand	Reactive	NPR	67	39
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(N)=O)CC2)C1	ZINC000852294293	ED	On-Demand	Anodyne	GPR119	21	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(N)=O)CC2)C1	ZINC000852294294	ED	On-Demand	Anodyne	GPR119	21	43
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	PAPA1_CARPA	44	33
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	CTSK	24	43
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	PREP	20	41
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	CAPNS1	51	31
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	CTSS	15	43
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	CAPN1	51	38
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	CAPN2	82	38
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	NPR	64	35
C[C@@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@@H](C)C1	ZINC000852294297	GE	On-Demand	Reactive	NAAA	34	40
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	PAPA1_CARPA	44	33
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	CTSK	24	43
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	PREP	20	41
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	CAPNS1	51	31
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	CTSS	15	43
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	CAPN1	51	38
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	CAPN2	82	38
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	NPR	64	35
C[C@H]1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)C1	ZINC000852294298	GE	On-Demand	Reactive	NAAA	34	40
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	PAPA1_CARPA	44	33
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	CTSK	24	43
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	PREP	20	41
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	CAPNS1	51	31
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	CTSS	15	43
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	CAPN1	51	38
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	CAPN2	82	38
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	NPR	64	35
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294299	GE	On-Demand	Reactive	NAAA	34	40
CC[C@H](C)N(CC)Cc1cc(=O)oc2cc(C)ccc12	ZINC000852294312	CH	On-Demand	Anodyne	HSD17B3	22	46
O=C(NCc1cccnc1F)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852294338	FH	On-Demand	Anodyne	MAPK1	40	40
CC[C@H](C)N(CC)Cc1nc2ccccc2[nH]1	ZINC000852294342	BG	On-Demand	Anodyne	CXCR4	34	53
CC[C@H](C)N(CC)CC(=O)NNC(=O)c1cc(Cl)ccc1OC	ZINC000852294349	EE	On-Demand	Reactive	KCNMA1	17	43
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2cccnc2F)C1	ZINC000852294356	EF	On-Demand	Anodyne	EPHX2	26	45
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2cccnc2F)C1	ZINC000852294357	EF	On-Demand	Anodyne	EPHX2	26	45
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCc1cccnc1F)CCC2	ZINC000852294399	FF	On-Demand	Anodyne	CXCR4	17	40
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCc1cccnc1F)CCC2	ZINC000852294399	FF	On-Demand	Anodyne	HTR6	22	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCc1cccnc1F)CCC2	ZINC000852294400	FF	On-Demand	Anodyne	CXCR4	17	40
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCc1cccnc1F)CCC2	ZINC000852294400	FF	On-Demand	Anodyne	HTR6	22	41
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	DRD1	43	36
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	MC4R	80	47
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	TRPV1	15	46
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	P2RX7	55	42
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	NPY2R	48	41
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	SCN2A	19	41
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	EPHX2	19	62
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	SCN10A	36	41
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	CXCR3	23	43
O=C(NCc1cccnc1F)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852294402	GH	On-Demand	Anodyne	RBP4	17	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1cccnc1F	ZINC000852294405	CF	On-Demand	Anodyne	P2RX7	44	35
O=C(NCc1cccnc1F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852294407	FH	On-Demand	Anodyne	KCNH2	40	37
O=C(NCc1cccnc1F)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852294407	FH	On-Demand	Anodyne	EPHX2	23	43
CCOC(=O)N1CCC(NC(=O)CN(CC)[C@H](C)CC)CC1	ZINC000852294409	DD	On-Demand	Anodyne	EPHX2	16	40
CCOC(=O)N1CCC(NC(=O)CN(CC)[C@@H](C)CC)CC1	ZINC000852294410	DD	On-Demand	Anodyne	EPHX2	16	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCn3ccccc3=O)CC2)C1	ZINC000852294411	GG	On-Demand	Anodyne	SSTR2	47	33
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCn3ccccc3=O)CC2)C1	ZINC000852294411	GG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCn3ccccc3=O)CC2)C1	ZINC000852294412	GG	On-Demand	Anodyne	SSTR2	47	33
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCn3ccccc3=O)CC2)C1	ZINC000852294412	GG	On-Demand	Anodyne	GPR119	28	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	GRIN2B	25	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	CTSB	23	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	CTSK	28	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	CTSL	34	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	PREP	29	48
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	CAPN2	46	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	TGM2	42	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	KLK5	41	37
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	TPSAB1	19	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	NPR	61	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852294414	GC	On-Demand	Reactive	F13A1	38	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	GRIN2B	25	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	CTSB	23	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	CTSK	28	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	CTSL	34	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	PREP	29	48
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	CAPN2	46	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	TGM2	42	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	KLK5	41	37
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	TPSAB1	19	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	NPR	61	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852294415	GC	On-Demand	Reactive	F13A1	38	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	GRIN2B	25	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	CTSB	23	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	CTSK	28	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	CTSL	34	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	PREP	29	48
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	CAPN2	46	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	TGM2	42	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	KLK5	41	37
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	TPSAB1	19	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	NPR	61	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852294416	GC	On-Demand	Reactive	F13A1	38	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	GRIN2B	25	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	CTSB	23	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	CTSK	28	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	CTSL	34	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	PREP	29	48
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	CAPN2	46	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	TGM2	42	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	KLK5	41	37
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	TPSAB1	19	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	NPR	61	35
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852294417	GC	On-Demand	Reactive	F13A1	38	43
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	FKBP1A	18	41
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	ELANE	22	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	CTSB	36	43
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	CTSK	28	43
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	PREP	27	45
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	CAPNS1	51	31
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	CTSS	15	43
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	CAPN1	55	35
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	CAPN2	90	34
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	NPR	62	35
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294427	FD	On-Demand	Reactive	NAAA	33	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852294428	EC	On-Demand	Reactive	CTSK	26	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852294428	EC	On-Demand	Reactive	CTSL	28	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852294428	EC	On-Demand	Reactive	PREP	23	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852294428	EC	On-Demand	Reactive	CAPN2	44	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@@H]1C=CCC1	ZINC000852294428	EC	On-Demand	Reactive	NPR	56	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1C=CCC1	ZINC000852294429	EC	On-Demand	Reactive	CTSK	26	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1C=CCC1	ZINC000852294429	EC	On-Demand	Reactive	CTSL	28	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1C=CCC1	ZINC000852294429	EC	On-Demand	Reactive	PREP	23	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1C=CCC1	ZINC000852294429	EC	On-Demand	Reactive	CAPN2	44	33
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N[C@H]1C=CCC1	ZINC000852294429	EC	On-Demand	Reactive	NPR	56	33
C[C@@]1(C#N)CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294444	FC	On-Demand	Reactive	CTSK	27	47
C[C@@]1(C#N)CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294444	FC	On-Demand	Reactive	PREP	22	49
C[C@@]1(C#N)CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294444	FC	On-Demand	Reactive	CAPNS1	42	31
C[C@@]1(C#N)CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294444	FC	On-Demand	Reactive	CAPN2	52	32
C[C@@]1(C#N)CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294444	FC	On-Demand	Reactive	NPR	56	33
C[C@@]1(C#N)CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294444	FC	On-Demand	Reactive	SLC12A5	71	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	ACE	15	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	CELA1	20	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	GRIN2B	25	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	CTRA_BOVIN	40	30
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	CTSB	21	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	CTSK	26	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	CTSL	29	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	PREP	45	52
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	TGM2	40	39
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	KLK5	40	38
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	TPSAB1	29	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852294446	GD	On-Demand	Reactive	NPR	48	32
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	ACE	15	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	CELA1	20	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	GRIN2B	25	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	CTRA_BOVIN	40	30
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	CTSB	21	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	CTSK	26	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	CTSL	29	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	PREP	45	52
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	TGM2	40	39
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	KLK5	40	38
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	TPSAB1	29	42
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCC[C@H](CCF)C1	ZINC000852294447	GD	On-Demand	Reactive	NPR	48	32
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCNS(C)(=O)=O)CC2)C1	ZINC000852294455	GD	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCNS(C)(=O)=O)CC2)C1	ZINC000852294456	GD	On-Demand	Anodyne	GPR119	28	40
Cc1cncc(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)n1	ZINC000852294468	GC	On-Demand	Reactive	CTSK	15	42
Cc1cncc(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)n1	ZINC000852294468	GC	On-Demand	Reactive	CAPN2	60	35
Cc1cncc(CCNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)n1	ZINC000852294468	GC	On-Demand	Reactive	NPR	58	37
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCN3CCCCC3)CC2)C1	ZINC000852294472	GH	On-Demand	Anodyne	GPR119	21	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCN3CCCCC3)CC2)C1	ZINC000852294473	GH	On-Demand	Anodyne	GPR119	21	41
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294476	GD	On-Demand	Reactive	CTSK	22	40
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294476	GD	On-Demand	Reactive	CTSL	22	40
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294476	GD	On-Demand	Reactive	CAPN2	57	32
C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)CNC(=O)OCc1ccccc1	ZINC000852294476	GD	On-Demand	Reactive	NPR	57	34
C=CCCC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCCC1	ZINC000852294483	EF	On-Demand	Reactive	HCN1	49	30
C=CCCC1(CNC(=O)NNC(=O)c2cccc(C)n2)CCCC1	ZINC000852294483	EF	On-Demand	Reactive	HCN4	47	30
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)N3CCC3)CC2)C1	ZINC000852294490	FF	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(=O)N3CCC3)CC2)C1	ZINC000852294491	FF	On-Demand	Anodyne	GPR119	19	40
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852294492	GC	On-Demand	Reactive	GRIN2B	19	43
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852294492	GC	On-Demand	Reactive	CTSB	24	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852294492	GC	On-Demand	Reactive	CTSK	20	41
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852294492	GC	On-Demand	Reactive	PREP	24	45
O=C(CNC(=O)OCc1ccccc1)NNC(=O)N1CCc2nccnc2C1	ZINC000852294492	GC	On-Demand	Reactive	NPR	57	34
Cc1cccc(C(=O)NNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852294495	GF	On-Demand	Reactive	SCD1	21	44
Cc1cccc(C(=O)NNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852294495	GF	On-Demand	Reactive	SCD	31	44
Cc1cccc(C(=O)NNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852294495	GF	On-Demand	Reactive	TRPM8	28	50
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(=O)NCC3CC3)CC2)C1	ZINC000852294508	GF	On-Demand	Anodyne	CACNA1I	48	38
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(=O)NCC3CC3)CC2)C1	ZINC000852294508	GF	On-Demand	Anodyne	GPR119	19	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)NCC3CC3)CC2)C1	ZINC000852294509	GF	On-Demand	Anodyne	CACNA1I	48	38
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)NCC3CC3)CC2)C1	ZINC000852294509	GF	On-Demand	Anodyne	GPR119	19	40
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	KLK3	58	33
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	CTSB	45	45
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	PAPA1_CARPA	60	38
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	CTSK	32	45
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	TIMP3	48	36
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	PREP	17	40
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	CAPNS1	61	35
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	CTSS	16	45
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	CAPN1	69	38
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	CAPN2	114	37
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	NPR	68	37
CCO[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1	ZINC000852294517	FC	On-Demand	Reactive	PSMB5	24	41
CCNC(=O)CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294518	FE	On-Demand	Anodyne	GPR119	16	40
CCNC(=O)CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294519	FE	On-Demand	Anodyne	GPR119	16	40
CSCCONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852294542	DD	On-Demand	Anodyne	PYGL	35	48
CSCCONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852294542	DD	On-Demand	Anodyne	PYGM	31	48
CSCCONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852294543	DD	On-Demand	Anodyne	PYGL	35	48
CSCCONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852294543	DD	On-Demand	Anodyne	PYGM	31	48
CSCCONC(=O)NCCc1ccnc2ccccc12	ZINC000852294551	DE	On-Demand	Anodyne	MTNR1A	33	44
CSCCONC(=O)NCCc1ccnc2ccccc12	ZINC000852294551	DE	On-Demand	Anodyne	MTNR1B	22	44
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cncs3)CC2)C1	ZINC000852294558	FI	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cncs3)CC2)C1	ZINC000852294559	FI	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3cncs3)CC2)C1	ZINC000852294574	GI	On-Demand	Anodyne	GPR119	26	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3cncs3)CC2)C1	ZINC000852294575	GI	On-Demand	Anodyne	GPR119	26	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3nc(C#N)cs3)CC2)C1	ZINC000852294598	GH	On-Demand	Mild	GPR119	20	47
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3nc(C#N)cs3)CC2)C1	ZINC000852294599	GH	On-Demand	Mild	GPR119	20	47
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccncc3C#N)CC2)C1	ZINC000852294634	GH	On-Demand	Mild	GPR119	45	54
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccncc3C#N)CC2)C1	ZINC000852294635	GH	On-Demand	Mild	GPR119	45	54
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3cn[nH]c3)CC2)C1	ZINC000852294666	FG	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3cn[nH]c3)CC2)C1	ZINC000852294667	FG	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cnsn3)CC2)C1	ZINC000852294698	FG	On-Demand	Anodyne	GPR119	32	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cnsn3)CC2)C1	ZINC000852294699	FG	On-Demand	Anodyne	GPR119	32	40
N#C[C@@H](c1ccccc1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852294738	CE	On-Demand	Mild	PTAFR	15	40
N#C[C@H](c1ccccc1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852294739	CE	On-Demand	Mild	PTAFR	15	40
C[C@H](c1nccc(N)n1)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294748	GG	On-Demand	Anodyne	GPR119	25	42
C[C@H](c1nccc(N)n1)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294750	GG	On-Demand	Anodyne	GPR119	25	42
CSCCONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852294751	EF	On-Demand	Anodyne	CACNA1I	49	34
CSCCONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852294752	EF	On-Demand	Anodyne	CACNA1I	49	34
CSCCONC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852294756	EG	On-Demand	Anodyne	P2RY14	44	36
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852294781	FG	On-Demand	Anodyne	SLC18A3	34	49
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852294781	FG	On-Demand	Anodyne	GPR119	38	47
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852294782	FG	On-Demand	Anodyne	SLC18A3	34	49
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN([C@@H]3CCC[C@H]3O)CC2)C1	ZINC000852294782	FG	On-Demand	Anodyne	GPR119	38	47
CSCCONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852294785	EG	On-Demand	Anodyne	KCNH2	45	43
CSCCONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852294785	EG	On-Demand	Anodyne	GLRA1	41	31
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cccc(F)n3)CC2)C1	ZINC000852294792	GI	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cccc(F)n3)CC2)C1	ZINC000852294793	GI	On-Demand	Anodyne	GPR119	32	41
O=C1CCC2=C(CCN(Cc3ccc(CN4CCCCC4)cc3)C2)N1	ZINC000852294826	EG	On-Demand	Anodyne	HRH3	18	45
CCn1nncc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294847	GG	On-Demand	Anodyne	GPR119	25	40
CCn1nncc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852294848	GG	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cnon3)CC2)C1	ZINC000852294878	FF	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cnon3)CC2)C1	ZINC000852294879	FF	On-Demand	Anodyne	GPR119	27	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(S(C)(=O)=O)CC3)C2)cc1	ZINC000852294912	FD	On-Demand	Clean	MMP13	40	36
COc1ccc(N2CC[C@H](NC(=O)NCC3(S(C)(=O)=O)CC3)C2)cc1	ZINC000852294912	FD	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NCC3(S(C)(=O)=O)CC3)C2)cc1	ZINC000852294912	FD	On-Demand	Clean	MTNR1B	18	46
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccncc3F)CC2)C1	ZINC000852294969	GI	On-Demand	Anodyne	GPR119	46	49
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccncc3F)CC2)C1	ZINC000852294971	GI	On-Demand	Anodyne	GPR119	46	49
CS(=O)(=O)C1(CNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852295006	DC	On-Demand	Reactive	F10	46	31
Cc1nc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)co1	ZINC000852295014	FH	On-Demand	Anodyne	GPR119	27	40
Cc1nc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)co1	ZINC000852295015	FH	On-Demand	Anodyne	GPR119	27	40
O=C1CCC2=C(CCN(CCc3nsc4ccccc34)C2)N1	ZINC000852295025	DF	On-Demand	Anodyne	DRD2	17	40
O=C1CCC2=C(CCN(CCc3nsc4ccccc34)C2)N1	ZINC000852295025	DF	On-Demand	Anodyne	HTR2A	31	40
CSCCONC(=O)NCc1cccnc1N1CCCC1	ZINC000852295034	DD	On-Demand	Anodyne	SCN2A	18	43
CSCCONC(=O)NCc1cccnc1N1CCCC1	ZINC000852295034	DD	On-Demand	Anodyne	SCN10A	23	48
CS(=O)(=O)C1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852295047	GD	On-Demand	Anodyne	ADRB2	40	40
CS(=O)(=O)C1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852295047	GD	On-Demand	Anodyne	ADRB3	28	45
CS(=O)(=O)C1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852295048	GD	On-Demand	Anodyne	ADRB2	40	40
CS(=O)(=O)C1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852295048	GD	On-Demand	Anodyne	ADRB3	28	45
CSCCONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852295066	ED	On-Demand	Anodyne	ACHE	26	44
CSCCONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852295066	ED	On-Demand	Anodyne	HTR4	33	40
CSCCONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852295066	ED	On-Demand	Anodyne	SIGMAR1	23	41
CSCCONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852295066	ED	On-Demand	Anodyne	CCR3	21	40
CSCCONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852295066	ED	On-Demand	Anodyne	CACNA1I	63	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCC(=O)N3CCCC3)CC2)C1	ZINC000852295069	GG	On-Demand	Anodyne	PREP	16	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCC(=O)N3CCCC3)CC2)C1	ZINC000852295070	GG	On-Demand	Anodyne	PREP	16	42
O=C1CCC2=C(CCN(CCOCc3ccccc3)C2)N1	ZINC000852295106	CE	On-Demand	Anodyne	HTR5A	16	43
CSCCONC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852295146	DG	On-Demand	Anodyne	DNAE	58	36
N#Cc1ccc(CCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852295183	CD	On-Demand	Mild	KCNJ1	46	52
CSCCONC(=O)NCCc1cn(C)c2ccccc12	ZINC000852295214	DE	On-Demand	Anodyne	MTNR1A	15	43
COc1cccc(OC)c1OCCCCN1CCC2=C(CCC(=O)N2)C1	ZINC000852295237	FF	On-Demand	Anodyne	HTR1A	40	37
COc1cccc(OC)c1OCCCCN1CCC2=C(CCC(=O)N2)C1	ZINC000852295237	FF	On-Demand	Anodyne	DRD2	36	44
COc1cccc(OC)c1OCCCCN1CCC2=C(CCC(=O)N2)C1	ZINC000852295237	FF	On-Demand	Anodyne	HTR2A	22	42
COc1cccc(OC)c1OCCCCN1CCC2=C(CCC(=O)N2)C1	ZINC000852295237	FF	On-Demand	Anodyne	DRD3	21	44
COc1cccc(OC)c1OCCCCN1CCC2=C(CCC(=O)N2)C1	ZINC000852295237	FF	On-Demand	Anodyne	SIGMAR1	17	41
COc1cccc(OC)c1OCCCCN1CCC2=C(CCC(=O)N2)C1	ZINC000852295237	FF	On-Demand	Anodyne	ABCB1	22	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C[C@H](O)c3cccnc3)CC2)C1	ZINC000852295238	GG	On-Demand	Anodyne	ADRB3	36	43
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C[C@H](O)c3cccnc3)CC2)C1	ZINC000852295238	GG	On-Demand	Anodyne	GPR119	32	43
O=C1CCC2=C(CCN(CCCCc3ccc(Cl)c(Cl)c3)C2)N1	ZINC000852295239	FI	On-Demand	Anodyne	SIGMAR1	22	46
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C[C@H](O)c3cccnc3)CC2)C1	ZINC000852295240	GG	On-Demand	Anodyne	ADRB3	36	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C[C@H](O)c3cccnc3)CC2)C1	ZINC000852295240	GG	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C[C@@H](O)c3cccnc3)CC2)C1	ZINC000852295242	GG	On-Demand	Anodyne	ADRB3	36	43
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C[C@@H](O)c3cccnc3)CC2)C1	ZINC000852295242	GG	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C[C@@H](O)c3cccnc3)CC2)C1	ZINC000852295245	GG	On-Demand	Anodyne	ADRB3	36	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C[C@@H](O)c3cccnc3)CC2)C1	ZINC000852295245	GG	On-Demand	Anodyne	GPR119	32	43
Cc1nn(C)cc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852295259	GH	On-Demand	Anodyne	GPR119	26	40
Cc1nn(C)cc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852295260	GH	On-Demand	Anodyne	GPR119	26	40
Cn1cncc1CCCN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852295266	GH	On-Demand	Anodyne	GPR119	26	40
Cn1cncc1CCCN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852295268	GH	On-Demand	Anodyne	GPR119	26	40
O=C1CCC2=C(CCN(Cc3nc4ccccc4s3)C2)N1	ZINC000852295321	CF	On-Demand	Anodyne	AKR1B1	19	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C[C@@H](O)c3ccccn3)CC2)C1	ZINC000852295338	GG	On-Demand	Anodyne	GPR119	39	51
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C[C@H](O)c3ccccn3)CC2)C1	ZINC000852295341	GG	On-Demand	Anodyne	GPR119	39	51
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C[C@H](O)c3ccccn3)CC2)C1	ZINC000852295343	GG	On-Demand	Anodyne	GPR119	39	51
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C[C@@H](O)c3ccccn3)CC2)C1	ZINC000852295345	GG	On-Demand	Anodyne	GPR119	39	51
O=C1CCC2=C(CCN(Cc3cccc(CN4CCCCC4)c3)C2)N1	ZINC000852295372	EG	On-Demand	Anodyne	NOX1	40	36
CC(C)(C)OC(=O)N1CCC(CCCN2CCC3=C(CCC(=O)N3)C2)CC1	ZINC000852295397	GG	On-Demand	Anodyne	GPR119	27	43
O=C1CCC2=C(CCN(Cc3ccccc3Cl)C2)N1	ZINC000852295415	CF	On-Demand	Anodyne	NOX4	20	40
O=C1CCC2=C(CCN(Cc3ccccc3Cl)C2)N1	ZINC000852295415	CF	On-Demand	Anodyne	NOX1	27	40
O=C1CCC2=C(CCN(Cc3ccccc3Cl)C2)N1	ZINC000852295415	CF	On-Demand	Anodyne	NOX5	26	40
O=C1CCC2=C(CCN(Cc3cccc(Cl)c3)C2)N1	ZINC000852295420	CF	On-Demand	Anodyne	NOX4	20	40
O=C1CCC2=C(CCN(Cc3cccc(Cl)c3)C2)N1	ZINC000852295420	CF	On-Demand	Anodyne	NOX1	27	40
O=C1CCC2=C(CCN(Cc3cccc(Cl)c3)C2)N1	ZINC000852295420	CF	On-Demand	Anodyne	NOX5	26	40
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)N1	ZINC000852295423	FD	On-Demand	Anodyne	ACOX1	68	33
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)N1	ZINC000852295424	FD	On-Demand	Anodyne	ACOX1	68	33
Cc1nccc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1	ZINC000852295460	FH	On-Demand	Anodyne	GPR119	40	44
Cc1nccc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1	ZINC000852295463	FH	On-Demand	Anodyne	GPR119	40	44
Cn1nncc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852295499	FF	On-Demand	Anodyne	GPR119	27	40
Cn1nncc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852295502	FF	On-Demand	Anodyne	GPR119	27	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccc(F)cn3)CC2)C1	ZINC000852295542	GI	On-Demand	Anodyne	GPR119	44	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccc(F)cn3)CC2)C1	ZINC000852295546	GI	On-Demand	Anodyne	GPR119	44	41
Cn1cnc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1	ZINC000852295593	FG	On-Demand	Anodyne	GPR119	32	45
Cn1cnc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1	ZINC000852295594	FG	On-Demand	Anodyne	GPR119	32	45
Cn1cc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nn1	ZINC000852295608	FF	On-Demand	Anodyne	GPR119	24	40
Cn1cc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nn1	ZINC000852295611	FF	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccnc(C#N)c3)CC2)C1	ZINC000852295616	GH	On-Demand	Mild	GPR119	34	50
O=C1CCC2=C(CCN(Cc3ccc(Cl)cc3)C2)N1	ZINC000852295618	CF	On-Demand	Anodyne	DRD4	23	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccnc(C#N)c3)CC2)C1	ZINC000852295619	GH	On-Demand	Mild	GPR119	34	50
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC000852295632	EE	On-Demand	Anodyne	SLC6A4	15	41
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC000852295632	EE	On-Demand	Anodyne	SLC6A3	23	41
CCCOc1cccc(CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852295677	DF	On-Demand	Anodyne	HRH2	30	42
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	HTR1A	72	50
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	DRD2	41	50
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	DRD4	31	44
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	HTR2A	46	50
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	ADRA1A	15	42
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	ADRA1B	15	42
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	DRD3	37	45
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	DRD5	16	45
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	HTR7	79	47
O=C1CCC2=C(CCN(CCCN3CCN(c4ccccc4)CC3)C2)N1	ZINC000852295702	FE	On-Demand	Anodyne	SIGMAR1	17	49
O=C1CCC2=C(CCN(Cc3ccccc3[N+](=O)[O-])C2)N1	ZINC000852295708	CD	On-Demand	Bother	COLA	42	31
CSCCONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852295760	FE	On-Demand	Anodyne	AMY2	45	31
CSCCONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852295760	FE	On-Demand	Anodyne	SSTR3	31	45
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC000852295781	FF	On-Demand	Anodyne	EPHX2	17	43
Cc1cnc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nc1	ZINC000852295796	FH	On-Demand	Anodyne	GPR119	40	44
Cc1cnc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nc1	ZINC000852295797	FH	On-Demand	Anodyne	GPR119	40	44
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cc[nH]n3)CC2)C1	ZINC000852295801	EG	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cc[nH]n3)CC2)C1	ZINC000852295802	EG	On-Demand	Anodyne	GPR119	35	41
COCc1csc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)c1	ZINC000852295808	EG	On-Demand	Anodyne	BMP1	24	42
Cc1cc(O)nc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1	ZINC000852295816	GG	On-Demand	Anodyne	GPR119	26	44
Cc1cc(O)nc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1	ZINC000852295819	GG	On-Demand	Anodyne	GPR119	26	44
O=C1CCC2=C(CCN(Cc3ccc(Cl)nc3)C2)N1	ZINC000852295862	CE	On-Demand	Anodyne	Q8WSF8_APLCA	38	41
O=C1CCC2=C(CCN(Cc3ccc(Cl)nc3)C2)N1	ZINC000852295862	CE	On-Demand	Anodyne	NACHRBETA2	47	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cnc[nH]3)CC2)C1	ZINC000852295944	EG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cnc[nH]3)CC2)C1	ZINC000852295945	EG	On-Demand	Anodyne	GPR119	29	42
CN1CCC[C@H](N2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852295959	GF	On-Demand	Anodyne	GPR119	18	40
CN1CCC[C@H](N2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)C1=O	ZINC000852295961	GF	On-Demand	Anodyne	GPR119	18	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3nccc(N)n3)CC2)C1	ZINC000852295963	GF	On-Demand	Anodyne	GPR119	33	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3nccc(N)n3)CC2)C1	ZINC000852295964	GF	On-Demand	Anodyne	GPR119	33	43
C=CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC000852295990	DH	On-Demand	Mild	EPHX2	24	54
C=CC[C@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC000852295991	DH	On-Demand	Mild	EPHX2	24	54
CSCCONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852296026	DD	On-Demand	Anodyne	DRD2	17	44
CSCCONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852296026	DD	On-Demand	Anodyne	SIGMAR1	23	43
CSCCONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852296028	DD	On-Demand	Anodyne	DRD2	17	44
CSCCONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852296028	DD	On-Demand	Anodyne	SIGMAR1	23	43
Cc1ccccc1CN1CCC(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)CC1	ZINC000852296050	GD	On-Demand	Anodyne	DRD4	16	49
Cc1ccccc1CN1CCC(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)CC1	ZINC000852296050	GD	On-Demand	Anodyne	SIGMAR1	16	45
O=C1CCC2=C(CCN(Cc3ccc(Cl)cc3Cl)C2)N1	ZINC000852296085	DG	On-Demand	Anodyne	P2RX7	25	40
CS(=O)(=O)C1(CNC(=O)NC[C@H](O)c2cccc3ccccc23)CCC1	ZINC000852296117	GE	On-Demand	Anodyne	ADRB2	40	34
CS(=O)(=O)C1(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)CCC1	ZINC000852296118	GE	On-Demand	Anodyne	ADRB2	40	34
Cn1nccc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296123	FG	On-Demand	Anodyne	GPR119	35	43
Cn1nccc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296124	FG	On-Demand	Anodyne	GPR119	35	43
CC(=O)c1cc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)on1	ZINC000852296125	GH	On-Demand	Anodyne	GPR119	26	40
CC(=O)c1cc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)on1	ZINC000852296126	GH	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cncc(F)c3)CC2)C1	ZINC000852296127	GI	On-Demand	Anodyne	GPR119	36	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cncc(F)c3)CC2)C1	ZINC000852296128	GI	On-Demand	Anodyne	GPR119	36	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3nccs3)CC2)C1	ZINC000852296210	FI	On-Demand	Anodyne	GPR119	33	46
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3nccs3)CC2)C1	ZINC000852296212	FI	On-Demand	Anodyne	GPR119	33	46
COc1ccc(N2CC[C@H](NC(=O)NCC3(S(C)(=O)=O)CCC3)C2)cc1	ZINC000852296234	GD	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(S(C)(=O)=O)CCC3)C2)cc1	ZINC000852296234	GD	On-Demand	Clean	MTNR1B	16	45
COCCc1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852296264	FD	On-Demand	Anodyne	ADRB1	16	44
COCCc1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852296264	FD	On-Demand	Anodyne	ABCB1	43	38
COCCc1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852296266	FD	On-Demand	Anodyne	ADRB1	16	44
COCCc1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852296266	FD	On-Demand	Anodyne	ABCB1	43	38
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cnns3)CC2)C1	ZINC000852296277	FG	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cnns3)CC2)C1	ZINC000852296279	FG	On-Demand	Anodyne	GPR119	29	41
O=C1CCC2=C(CCN(CCCC(=O)c3ccccc3)C2)N1	ZINC000852296302	CF	On-Demand	Anodyne	DRD2	30	42
O=C1CCC2=C(CCN(CCCC(=O)c3ccccc3)C2)N1	ZINC000852296302	CF	On-Demand	Anodyne	HTR2A	17	54
O=C1CCC2=C(CCN(CCCC(=O)c3ccccc3)C2)N1	ZINC000852296302	CF	On-Demand	Anodyne	HTR5A	20	54
O=C1CCC2=C(CCN(CCCC(=O)c3ccccc3)C2)N1	ZINC000852296302	CF	On-Demand	Anodyne	CYP2J2	54	38
O=C1CCC2=C(CCN([C@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852296305	DE	On-Demand	Anodyne	DRD4	26	40
O=C1CCC2=C(CCN([C@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852296305	DE	On-Demand	Anodyne	ACHE	18	40
O=C1CCC2=C(CCN([C@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852296305	DE	On-Demand	Anodyne	SIGMAR1	41	39
O=C1CCC2=C(CCN([C@@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852296306	DE	On-Demand	Anodyne	DRD4	26	40
O=C1CCC2=C(CCN([C@@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852296306	DE	On-Demand	Anodyne	ACHE	18	40
O=C1CCC2=C(CCN([C@@H]3CCN(Cc4ccccc4)C3)C2)N1	ZINC000852296306	DE	On-Demand	Anodyne	SIGMAR1	41	39
C=CCOCCCNC(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC000852296332	DE	On-Demand	Mild	EPHX2	15	42
Cn1ncc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1	ZINC000852296335	FF	On-Demand	Anodyne	GPR119	34	43
Cn1ncc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)n1	ZINC000852296336	FF	On-Demand	Anodyne	GPR119	34	43
CCn1ncnc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296370	GG	On-Demand	Anodyne	GPR119	30	44
CCn1ncnc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296372	GG	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cnc(Cl)cn3)CC2)C1	ZINC000852296394	GH	On-Demand	Anodyne	GPR119	39	44
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cnc(Cl)cn3)CC2)C1	ZINC000852296396	GH	On-Demand	Anodyne	GPR119	39	44
CSCCONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852296401	DD	On-Demand	Anodyne	CACNA1I	50	33
CC[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1)C1CC1	ZINC000852296408	CG	On-Demand	Anodyne	SLC6A3	24	41
O=C1CCC2=C(CCN(CCCC(=O)c3ccc(Br)cc3)C2)N1	ZINC000852296571	GG	On-Demand	Anodyne	CYP2J2	46	33
CS(=O)(=O)C1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCC1	ZINC000852296618	GE	On-Demand	Anodyne	ADRB2	36	41
CS(=O)(=O)C1(CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCC1	ZINC000852296618	GE	On-Demand	Anodyne	ADRB3	28	43
CS(=O)(=O)C1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCC1	ZINC000852296619	GE	On-Demand	Anodyne	ADRB2	36	41
CS(=O)(=O)C1(CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCC1	ZINC000852296619	GE	On-Demand	Anodyne	ADRB3	28	43
Cn1cnnc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296635	FF	On-Demand	Anodyne	GPR119	29	40
Cn1cnnc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296636	FF	On-Demand	Anodyne	GPR119	29	40
CC(C)n1ncnc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296669	GH	On-Demand	Anodyne	GPR119	33	42
CC(C)n1ncnc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296670	GH	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3cscn3)CC2)C1	ZINC000852296675	GI	On-Demand	Anodyne	GPR119	29	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3cscn3)CC2)C1	ZINC000852296676	GI	On-Demand	Anodyne	GPR119	29	41
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)C1	ZINC000852296694	DE	On-Demand	Anodyne	EPHX2	24	46
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCCn3ccnc3)CC2)C1	ZINC000852296697	GH	On-Demand	Anodyne	GPR119	17	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCCn3ccnc3)CC2)C1	ZINC000852296698	GH	On-Demand	Anodyne	GPR119	17	40
Cn1nccc1CCN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296715	GG	On-Demand	Anodyne	GPR119	36	42
Cn1nccc1CCN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296716	GG	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ncccn3)CC2)C1	ZINC000852296719	FG	On-Demand	Anodyne	GPR119	42	54
O=C1CCC2=C(CCN(CC(=O)Nc3cc(-n4cnnn4)ccc3F)C2)N1	ZINC000852296745	FC	On-Demand	Anodyne	KCNJ1	41	35
O=C1CCC2=C(CCN(Cc3ccc(OCc4ccc(F)cc4)cc3)C2)N1	ZINC000852296747	FH	On-Demand	Anodyne	SIGMAR1	15	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ncccn3)CC2)C1	ZINC000852296753	FG	On-Demand	Anodyne	GPR119	42	54
CC(=O)Oc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852296759	DD	On-Demand	Anodyne	NOD2	41	36
O=C1CCC2=C(CCN(CCC(=O)NC(c3ccccc3)c3ccccc3)C2)N1	ZINC000852296762	GG	On-Demand	Anodyne	PRCP	21	44
O=C1CCC2=C(CCN(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)C2)N1	ZINC000852296763	GF	On-Demand	Anodyne	ROCK1	17	43
O=C1CCC2=C(CCN(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)C2)N1	ZINC000852296763	GF	On-Demand	Anodyne	SLC27A1	41	38
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3cccnc3)CC2)C1	ZINC000852296791	FH	On-Demand	Anodyne	FKBP1A	24	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3cccnc3)CC2)C1	ZINC000852296791	FH	On-Demand	Anodyne	CHRNA7	50	39
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3cccnc3)CC2)C1	ZINC000852296791	FH	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCc3cccnc3)CC2)C1	ZINC000852296791	FH	On-Demand	Anodyne	ACHP_LYMST	30	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3cccnc3)CC2)C1	ZINC000852296792	FH	On-Demand	Anodyne	FKBP1A	24	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3cccnc3)CC2)C1	ZINC000852296792	FH	On-Demand	Anodyne	CHRNA7	50	39
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3cccnc3)CC2)C1	ZINC000852296792	FH	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCc3cccnc3)CC2)C1	ZINC000852296792	FH	On-Demand	Anodyne	ACHP_LYMST	30	40
O=C(NCCCc1ccccc1F)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852296806	GG	On-Demand	Clean	CCR3	22	49
C[C@@H](ON=C(N)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852296808	FH	On-Demand	Mild	IMDH_CRYPV	41	34
O=C1CCC2=C(CCN(CC(=O)Nc3nc4ccccc4s3)C2)N1	ZINC000852296823	EE	On-Demand	Anodyne	CSNK1D	37	47
O=C1CCC2=C(CCN(CC(=O)Nc3nc4ccccc4s3)C2)N1	ZINC000852296823	EE	On-Demand	Anodyne	SLC27A1	40	55
O=C1CCC2=C(CCN(Cc3ccc(F)cc3)C2)N1	ZINC000852296842	CE	On-Demand	Anodyne	SIGMAR1	15	42
N#Cc1cccc(NC(=O)CCN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852296849	DD	On-Demand	Mild	CCR3	15	43
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ncc(C4CC4)o3)CC2)C1	ZINC000852296856	GI	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ncc(C4CC4)o3)CC2)C1	ZINC000852296857	GI	On-Demand	Anodyne	GPR119	34	41
Cc1ncc(CN2CCC([C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cn1	ZINC000852296865	FH	On-Demand	Anodyne	GPR119	39	44
Cc1ncc(CN2CCC([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cn1	ZINC000852296866	FH	On-Demand	Anodyne	GPR119	39	44
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cnn[nH]3)CC2)C1	ZINC000852296871	EF	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cnn[nH]3)CC2)C1	ZINC000852296872	EF	On-Demand	Anodyne	GPR119	28	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC000852296878	DG	On-Demand	Mild	SLC6A4	26	46
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC000852296878	DG	On-Demand	Mild	SLC6A3	52	46
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC000852296878	DG	On-Demand	Mild	EPHX2	19	53
COc1cccc(OCCN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852296902	DD	On-Demand	Anodyne	DRD2	17	41
COc1cccc(OCCN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852296902	DD	On-Demand	Anodyne	DRD4	41	31
CCCn1ncnc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296907	GH	On-Demand	Anodyne	GPR119	24	42
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2=C(CCC(=O)N2)C1	ZINC000852296908	FE	On-Demand	Mild	VIPR1	25	40
CCCn1ncnc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296911	GH	On-Demand	Anodyne	GPR119	24	42
O=C1CCC2=C(CCN(CC#Cc3ccc(F)cc3)C2)N1	ZINC000852296921	CE	On-Demand	Mild	GRIN2C	16	41
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2=C(CCC(=O)N2)C1	ZINC000852296939	FE	On-Demand	Mild	VIPR1	25	40
CSCCONC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852296943	EF	On-Demand	Anodyne	TRPM8	26	51
C[C@H]1CC[C@H](CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852296946	EF	On-Demand	Anodyne	EPHX2	15	44
C[C@H]1CC[C@@H](CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852296948	EF	On-Demand	Anodyne	EPHX2	15	44
O=C1CCC2=C(CCN(CCCn3ccnc3)C2)N1	ZINC000852296962	CD	On-Demand	Anodyne	QPCT	18	43
Cn1cncc1CCN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852296968	GG	On-Demand	Anodyne	GPR119	28	42
C[C@H]1CC[C@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852296977	CF	On-Demand	Reactive	F10	46	30
C[C@H]1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852296978	CF	On-Demand	Reactive	F10	46	30
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852296993	GD	On-Demand	Anodyne	P2RX7	18	49
Cn1cncc1CCN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852297020	GG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3csnn3)CC2)C1	ZINC000852297030	FG	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3csnn3)CC2)C1	ZINC000852297031	FG	On-Demand	Anodyne	GPR119	23	40
COC(=O)[C@@](C)(O)CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852297040	GE	On-Demand	Anodyne	GPR119	15	40
COC(=O)[C@@](C)(O)CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852297043	GE	On-Demand	Anodyne	GPR119	15	40
C=CCCNC(=O)N[C@@H]1C[C@H]1c1ccc(OC)cc1	ZINC000852297057	CE	On-Demand	Mild	MTNR1A	19	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ncc[nH]3)CC2)C1	ZINC000852297083	EG	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ncc[nH]3)CC2)C1	ZINC000852297084	EG	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cccnc3N)CC2)C1	ZINC000852297104	FH	On-Demand	Anodyne	GPR119	37	48
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cccnc3N)CC2)C1	ZINC000852297105	FH	On-Demand	Anodyne	GPR119	37	48
C[C@H](C(=O)Nc1nccs1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852297158	DD	On-Demand	Anodyne	MAP1	59	36
C[C@@H](C(=O)Nc1nccs1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852297160	DD	On-Demand	Anodyne	MAP1	59	36
O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852297182	GD	On-Demand	Anodyne	EPHX2	20	43
O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852297184	GD	On-Demand	Anodyne	EPHX2	20	43
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852297195	GC	On-Demand	Anodyne	CA2	25	40
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852297195	GC	On-Demand	Anodyne	CA1	29	40
NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852297195	GC	On-Demand	Anodyne	CA4	33	40
CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852297231	GF	On-Demand	Anodyne	CPT1A	40	34
Cc1cc(F)ccc1CN1CCC2=C(CCC(=O)N2)C1	ZINC000852297233	CF	On-Demand	Anodyne	P2RX7	15	42
O=C1CCC2=C(CCN(Cc3ccc(F)cc3Cl)C2)N1	ZINC000852297237	CF	On-Demand	Anodyne	P2RX7	48	45
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCn3ccnc3)CC2)C1	ZINC000852297251	FG	On-Demand	Anodyne	GPR119	22	41
O=C(NNc1ccc(Cl)cn1)NC1CC(N2CCCCC2)C1	ZINC000852297277	DE	On-Demand	Reactive	F10	17	40
O=C1CCC2=C(CCN(CCC(=O)N3CCc4ccccc4C3)C2)N1	ZINC000852297280	ED	On-Demand	Anodyne	HTR7	16	43
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CCF)CC2)C1	ZINC000852297301	DG	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CCF)CC2)C1	ZINC000852297304	DG	On-Demand	Anodyne	GPR119	24	40
N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3=C(CCC(=O)N3)C2)CC1	ZINC000852297311	GD	On-Demand	Mild	PTAFR	26	40
N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3=C(CCC(=O)N3)C2)CC1	ZINC000852297315	GD	On-Demand	Mild	PTAFR	26	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)ONC(=N)c2ccccc2OC)c1	ZINC000852297316	HF	On-Demand	Anodyne	MTNR1A	45	36
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)ONC(=N)c2ccccc2OC)c1	ZINC000852297316	HF	On-Demand	Anodyne	MTNR1B	49	36
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)ONC(=N)c2ccccc2OC)c1	ZINC000852297316	HF	On-Demand	Anodyne	KCNK3	38	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)ONC(=N)c2ccccc2OC)c1	ZINC000852297316	HF	On-Demand	Anodyne	KCNK9	29	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)ONC(=N)c2ccccc2OC)c1	ZINC000852297324	HF	On-Demand	Anodyne	MTNR1A	45	36
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)ONC(=N)c2ccccc2OC)c1	ZINC000852297324	HF	On-Demand	Anodyne	MTNR1B	49	36
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)ONC(=N)c2ccccc2OC)c1	ZINC000852297324	HF	On-Demand	Anodyne	KCNK3	38	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)ONC(=N)c2ccccc2OC)c1	ZINC000852297324	HF	On-Demand	Anodyne	KCNK9	29	40
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2=C(CCC(=O)N2)C1	ZINC000852297328	FD	On-Demand	Bother	KCNMA1	18	42
Cn1cncc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852297347	FG	On-Demand	Anodyne	GPR119	28	42
Cn1cncc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852297348	FG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccnc(N)c3)CC2)C1	ZINC000852297351	FH	On-Demand	Anodyne	SSTR5	41	35
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccnc(N)c3)CC2)C1	ZINC000852297351	FH	On-Demand	Anodyne	GPR119	47	43
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccnc(N)c3)CC2)C1	ZINC000852297354	FH	On-Demand	Anodyne	SSTR5	41	35
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccnc(N)c3)CC2)C1	ZINC000852297354	FH	On-Demand	Anodyne	GPR119	47	43
CCn1ncnc1CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852297355	FF	On-Demand	Anodyne	PDS	46	31
O=C1CCC2=C(CCN(CC(=O)N3CCC(OCc4ccccc4)CC3)C2)N1	ZINC000852297357	GE	On-Demand	Anodyne	GRIN2B	28	44
Cc1oncc1CN1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852297378	FH	On-Demand	Anodyne	GPR119	32	41
Cc1oncc1CN1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852297379	FH	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ccc(C#N)cn3)CC2)C1	ZINC000852297387	GH	On-Demand	Mild	GPR119	41	45
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ccc(C#N)cn3)CC2)C1	ZINC000852297388	GH	On-Demand	Mild	GPR119	41	45
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3ncnn3CCF)CC2)C1	ZINC000852297391	GG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3ncnn3CCF)CC2)C1	ZINC000852297392	GG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(Cc3cn[nH]c3)CC2)C1	ZINC000852297420	EG	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(Cc3cn[nH]c3)CC2)C1	ZINC000852297421	EG	On-Demand	Anodyne	GPR119	32	41
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852297427	GH	On-Demand	Anodyne	PRNP	50	35
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852297427	GH	On-Demand	Anodyne	KCNK3	91	39
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852297427	GH	On-Demand	Anodyne	KCNK9	45	38
O=C1CCC2=C(CCN(CC(=O)Nc3nc4c(s3)CCCC4)C2)N1	ZINC000852297431	ED	On-Demand	Anodyne	SLC27A1	59	53
O=C1CCC2=C(CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)N1	ZINC000852297433	FG	On-Demand	Anodyne	PRNP	48	37
O=C1CCC2=C(CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)N1	ZINC000852297433	FG	On-Demand	Anodyne	HDAC1	18	41
O=C1CCC2=C(CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)N1	ZINC000852297433	FG	On-Demand	Anodyne	HDAC6	22	42
O=C1CCC2=C(CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)N1	ZINC000852297433	FG	On-Demand	Anodyne	NOD1	24	55
O=C1CCC2=C(CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)N1	ZINC000852297433	FG	On-Demand	Anodyne	NOD2	62	52
Cc1c(NC(=O)[C@@H](C)N2CCC3=C(CCC(=O)N3)C2)cccc1[N+](=O)[O-]	ZINC000852297451	FE	On-Demand	Bother	COLA	53	39
Cc1c(NC(=O)[C@H](C)N2CCC3=C(CCC(=O)N3)C2)cccc1[N+](=O)[O-]	ZINC000852297452	FE	On-Demand	Bother	COLA	53	39
O=C1CCC2=C(CCN(CC(=O)Nc3nc(-c4ccccc4)cs3)C2)N1	ZINC000852297459	FF	On-Demand	Anodyne	ROCK1	20	40
O=C1CCC2=C(CCN(CC(=O)Nc3nc(-c4ccccc4)cs3)C2)N1	ZINC000852297459	FF	On-Demand	Anodyne	TRPA1	15	46
O=C(NCCCc1ccccc1F)NCCS(=O)(=O)CC(F)(F)F	ZINC000852297558	FE	On-Demand	Anodyne	MTNR1A	18	43
O=C1CCC2=C(CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)C2)N1	ZINC000852297578	FG	On-Demand	Anodyne	NOD1	19	43
O=C1CCC2=C(CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)C2)N1	ZINC000852297578	FG	On-Demand	Anodyne	NOD2	49	41
O=C1CCC2=C(CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)C2)N1	ZINC000852297578	FG	On-Demand	Anodyne	KCNK3	74	36
O=C1CCC2=C(CCN(CCc3ccccc3)C2)N1	ZINC000852297580	CE	On-Demand	Anodyne	SIGMAR1	34	52
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852297581	FE	On-Demand	Anodyne	BCL2L1	48	31
C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852297583	FE	On-Demand	Anodyne	BCL2L1	48	31
O=C(NC1CC(N2CCCCC2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852297590	ED	On-Demand	Anodyne	L3MBTL3	75	39
O=C(NC1CC(N2CCCCC2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852297591	ED	On-Demand	Anodyne	L3MBTL3	75	39
O=C1CCC2=C(CCN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)C2)N1	ZINC000852297614	EF	On-Demand	Anodyne	LUCI_PHOPY	58	43
O=C1CCC2=C(CCN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)C2)N1	ZINC000852297615	EF	On-Demand	Anodyne	LUCI_PHOPY	58	43
O=C(NC1CC(N2CCCCC2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852297625	FD	On-Demand	Anodyne	L3MBTL3	66	37
O=C1CCC2=C(CCN(CCCOCc3ccccc3)C2)N1	ZINC000852297651	DE	On-Demand	Anodyne	HTR5A	24	49
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CC(N2CCCCC2)C1	ZINC000852297665	GE	On-Demand	Clean	L3MBTL3	78	44
O=C1CCC2=C(CCN(Cc3cccc(Oc4ccccc4)c3)C2)N1	ZINC000852297679	EH	On-Demand	Anodyne	FAAH	21	45
O=C1CCC2=C(CCN(Cc3cccc(Oc4ccccc4)c3)C2)N1	ZINC000852297679	EH	On-Demand	Anodyne	CCR8	24	43
O=C(NCCCc1ccccc1F)NCc1ncccn1	ZINC000852297697	CE	On-Demand	Anodyne	MTNR1A	30	42
O=C(NCCCc1ccccc1F)NCc1ncccn1	ZINC000852297697	CE	On-Demand	Anodyne	MTNR1B	31	42
O=C1CCC2=C(CCN(CC(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)C2)N1	ZINC000852297717	GF	On-Demand	Anodyne	SLC6A4	15	49
O=C1CCC2=C(CCN(CC(=O)N3CCc4[nH]c5ccccc5c4C3)C2)N1	ZINC000852297747	FD	On-Demand	Anodyne	SSTR4	46	34
O=C1CCC2=C(CCN(CCCc3cccc(F)c3)C2)N1	ZINC000852297779	CF	On-Demand	Anodyne	SIGMAR1	19	46
CC(C)(C)OC(=O)N1CCC(CCN2CCC3=C(CCC(=O)N3)C2)CC1	ZINC000852297784	FF	On-Demand	Anodyne	GPR119	28	41
O=C1CCC2=C(CCN(CCCCc3ccccc3)C2)N1	ZINC000852297802	CF	On-Demand	Anodyne	SIGMAR1	43	50
O=C1CCC2=C(CCN(CCCCc3ccccc3)C2)N1	ZINC000852297802	CF	On-Demand	Anodyne	HTR5A	25	45
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	CHRM2	40	37
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	MMP13	15	43
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	CCR4	18	42
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	MTNR1B	18	48
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	MMP3	18	43
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	GALR2	40	31
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	MMP1	15	43
COc1ccc(N2CC[C@H](NC(=O)NC3CC(N4CCCCC4)C3)C2)cc1	ZINC000852297830	FF	On-Demand	Clean	L3MBTL3	64	39
O=C1CCC2=C(CCN(CCOc3ccc(Cl)c(F)c3)C2)N1	ZINC000852297844	DF	On-Demand	Anodyne	DRD2	16	40
COC(=O)N(C)CCNC(=O)NCCCc1ccccc1F	ZINC000852297923	DD	On-Demand	Anodyne	MTNR1A	49	46
COC(=O)N(C)CCNC(=O)NCCCc1ccccc1F	ZINC000852297923	DD	On-Demand	Anodyne	MTNR1B	40	38
O=C1CCC2=C(CCN(CCC(=O)Nc3cccc(Br)c3)C2)N1	ZINC000852297928	GF	On-Demand	Anodyne	EGFR	15	46
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(N4CCCCC4)nc3)C2)N1	ZINC000852297950	FD	On-Demand	Anodyne	SLC27A1	47	42
O=C1CCC2=C(CCN(CCC(=O)N[C@H](c3ccccc3)c3cccs3)C2)N1	ZINC000852297956	GG	On-Demand	Anodyne	PRCP	19	41
O=C1CCC2=C(CCN(CCC(=O)N[C@@H](c3ccccc3)c3cccs3)C2)N1	ZINC000852297957	GG	On-Demand	Anodyne	PRCP	19	41
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3cnn(-c4ccccc4)c3)C2)N1	ZINC000852297958	GE	On-Demand	Anodyne	EPHX2	18	40
CC[C@H](NC(=O)CON=C(N)c1ccc(F)cc1)c1ccc(Cl)cc1	ZINC000852297964	FG	On-Demand	Mild	UTS2	49	38
CC[C@@H](NC(=O)CON=C(N)c1ccc(F)cc1)c1ccc(Cl)cc1	ZINC000852297965	FG	On-Demand	Mild	UTS2	49	38
O=C1CCC2=C(CCN(CCC(=O)c3ccc(F)cc3)C2)N1	ZINC000852297979	DE	On-Demand	Anodyne	HTR2A	17	44
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccccc3C(F)(F)F)C2)N1	ZINC000852297982	FE	On-Demand	Anodyne	ABCB1	59	40
O=C1CCC2=C(CCN(C[C@H](O)COc3ccccc3C(F)(F)F)C2)N1	ZINC000852297983	FE	On-Demand	Anodyne	ABCB1	59	40
O=C(NC1CC(N2CCCCC2)C1)N[C@H]1C=CCC1	ZINC000852298031	CE	On-Demand	Anodyne	L3MBTL3	58	36
O=C(NC1CC(N2CCCCC2)C1)N[C@@H]1C=CCC1	ZINC000852298032	CE	On-Demand	Anodyne	L3MBTL3	58	36
O=C1CCC2=C(CCN(CCC(=O)OCc3ccccc3)C2)N1	ZINC000852298043	DD	On-Demand	Anodyne	SLC12A5	48	32
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)N1	ZINC000852298047	ED	On-Demand	Bother	ABCB1	52	38
O=C1CCC2=C(CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)N1	ZINC000852298048	ED	On-Demand	Bother	ABCB1	52	38
C[C@H]1CC[C@H](CNC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852298052	GE	On-Demand	Reactive	DRD4	19	42
C[C@H]1CC[C@@H](CNC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852298053	GE	On-Demand	Reactive	DRD4	19	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CC[C@@H](C)C2)O1	ZINC000852298056	GE	On-Demand	Reactive	DRD4	19	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)NC[C@H]2CC[C@@H](C)C2)O1	ZINC000852298058	GE	On-Demand	Reactive	DRD4	19	42
N#Cc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1F	ZINC000852298072	CE	On-Demand	Mild	KCNJ1	22	42
COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298075	GG	On-Demand	Anodyne	CPT1A	69	37
O=C1CCC2=C(CCN(CCC(=O)c3ccccc3)C2)N1	ZINC000852298078	CE	On-Demand	Anodyne	SLC6A1	18	40
O=C1CCC2=C(CCN(CCC(=O)c3ccccc3)C2)N1	ZINC000852298078	CE	On-Demand	Anodyne	CYP2J2	43	31
O=C1CCC2=C(CCN(CCSc3ccnc4cc(Cl)ccc34)C2)N1	ZINC000852298084	FH	On-Demand	Anodyne	HRP1_PLAFA	106	37
O=C1CCC2=C(CCN(CC(=O)Nc3nc4c(s3)CCC4)C2)N1	ZINC000852298133	ED	On-Demand	Anodyne	SLC27A1	52	53
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(F)c(Cl)c3)C2)N1	ZINC000852298143	EE	On-Demand	Anodyne	PKM	15	42
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(F)c(Cl)c3)C2)N1	ZINC000852298143	EE	On-Demand	Anodyne	MCHR1	24	41
O=C1CCC2=C(CCN(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852298145	GH	On-Demand	Anodyne	LTA4H	44	45
O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852298176	GE	On-Demand	Anodyne	EPHX2	23	46
N#Cc1c(NC(=O)CCN2CCC3=C(CCC(=O)N3)C2)sc2c1CCC2	ZINC000852298177	FE	On-Demand	Mild	VIPR1	29	47
NS(=O)(=O)c1ccc(CCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298254	EC	On-Demand	Anodyne	CA2	34	41
NS(=O)(=O)c1ccc(CCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298254	EC	On-Demand	Anodyne	CA1	36	41
NS(=O)(=O)c1ccc(CCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298254	EC	On-Demand	Anodyne	CA7	17	41
NS(=O)(=O)c1ccc(CCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298254	EC	On-Demand	Anodyne	CA12	23	40
NS(=O)(=O)c1ccc(CCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298254	EC	On-Demand	Anodyne	CA9	30	40
Cc1cccc(C(=O)NNC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852298266	EC	On-Demand	Reactive	KCNK3	42	34
NS(=O)(=O)c1cccc(NC(=O)CCN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852298279	GC	On-Demand	Anodyne	CA2	21	47
NS(=O)(=O)c1cccc(NC(=O)CCN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852298279	GC	On-Demand	Anodyne	CA1	17	43
NS(=O)(=O)c1cccc(NC(=O)CCN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852298279	GC	On-Demand	Anodyne	CA4	20	47
O=C1CCC2=C(CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)C2)N1	ZINC000852298283	GF	On-Demand	Anodyne	GRIN2B	54	48
O=C1CCC2=C(CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)C2)N1	ZINC000852298283	GF	On-Demand	Anodyne	TGM2	22	42
O=C1CCC2=C(CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)C2)N1	ZINC000852298283	GF	On-Demand	Anodyne	F13A1	32	42
CCOC(=O)c1nc(-c2ccccc2)oc1CN1CCC2=C(CCC(=O)N2)C1	ZINC000852298300	GF	On-Demand	Anodyne	PDE8B	53	34
CC(C)(C)OC(=O)N1CCC(CN2CCC3=C(CCC(=O)N3)C2)CC1	ZINC000852298305	EF	On-Demand	Anodyne	GPR119	27	40
O=C1CCC2=C(CCN(CC(=O)Nc3nccs3)C2)N1	ZINC000852298341	CC	On-Demand	Anodyne	MAP1	70	46
O=C1CCC2=C(CCN(CCC(=O)Nc3ccc4c(c3)OCO4)C2)N1	ZINC000852298354	ED	On-Demand	Anodyne	DYRK2	55	35
NC(=NOCc1ccc(-n2cccn2)cc1)c1ccc(F)cc1	ZINC000852298371	DF	On-Demand	Mild	AMP1_PLAFQ	52	41
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CC(N2CCCCC2)C1	ZINC000852298397	FG	On-Demand	Anodyne	HTR4	34	40
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CC(N2CCCCC2)C1	ZINC000852298398	FG	On-Demand	Anodyne	HTR4	34	40
O=C1CCC2=C(CCN(CC(=O)Nc3nc4ccc(F)cc4s3)C2)N1	ZINC000852298402	FE	On-Demand	Anodyne	CSNK1D	45	40
O=C1CCC2=C(CCN(CC(=O)Nc3nc4ccc(F)cc4s3)C2)N1	ZINC000852298402	FE	On-Demand	Anodyne	SLC27A1	45	49
CCOc1ccccc1NC(=O)CCN1CCC2=C(CCC(=O)N2)C1	ZINC000852298431	EE	On-Demand	Anodyne	HCN1	47	32
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852298452	FE	On-Demand	Anodyne	PDS	41	36
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852298453	FE	On-Demand	Anodyne	PDS	41	36
O=C1CCC2=C(CCN(CCOc3ccc(C(F)(F)F)cc3)C2)N1	ZINC000852298465	EF	On-Demand	Anodyne	LTA4H	28	50
O=C1CCC2=C(CCN(CCC(=O)N3CCN(c4ccccn4)CC3)C2)N1	ZINC000852298472	FC	On-Demand	Anodyne	DRD4	26	42
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2=C(CCC(=O)N2)C1	ZINC000852298499	ED	On-Demand	Bother	COLA	95	37
O=C1CCC2=C(CCN(Cc3ccc(OCc4ccccc4)cc3)C2)N1	ZINC000852298502	EH	On-Demand	Anodyne	MAOB	30	41
O=C1CCC2=C(CCN(Cc3ccc(OCc4ccccc4)cc3)C2)N1	ZINC000852298502	EH	On-Demand	Anodyne	LTA4H	26	41
O=C1CCC2=C(CCN(Cc3ccc(OCc4ccccc4)cc3)C2)N1	ZINC000852298502	EH	On-Demand	Anodyne	SIGMAR1	26	44
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852298517	FD	On-Demand	Bother	KCNMA1	19	43
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852298518	FD	On-Demand	Bother	KCNMA1	19	43
O=C1CCC2=C(CCN(CCCOc3cccc4ccccc34)C2)N1	ZINC000852298530	EG	On-Demand	Anodyne	DRD2	28	43
O=C1CCC2=C(CCN(CCCOc3cccc4ccccc34)C2)N1	ZINC000852298530	EG	On-Demand	Anodyne	HTR2A	20	43
O=C1CCC2=C(CCN(CCCOc3cccc4ccccc34)C2)N1	ZINC000852298530	EG	On-Demand	Anodyne	HTR5A	37	53
O=C1CCC2=C(CCN(CCCOc3cccc4ccccc34)C2)N1	ZINC000852298530	EG	On-Demand	Anodyne	MCL1	41	41
O=C1CCC2=C(CCN(CCCCOc3ccccc3)C2)N1	ZINC000852298533	DF	On-Demand	Anodyne	DRD2	23	48
O=C1CCC2=C(CCN(CCCCOc3ccccc3)C2)N1	ZINC000852298533	DF	On-Demand	Anodyne	HTR2A	16	46
O=C1CCC2=C(CCN(CCCCOc3ccccc3)C2)N1	ZINC000852298533	DF	On-Demand	Anodyne	HRH3	38	47
O=C1CCC2=C(CCN(CCCCOc3ccccc3)C2)N1	ZINC000852298533	DF	On-Demand	Anodyne	SIGMAR1	20	41
O=C1CCC2=C(CCN(CCCCOc3ccccc3)C2)N1	ZINC000852298533	DF	On-Demand	Anodyne	HTR5A	38	46
O=C1CCC2=C(CCN(Cc3ccccc3Oc3cccnc3)C2)N1	ZINC000852298557	EG	On-Demand	Anodyne	CCR8	15	41
O=C1CCC2=C(CCN(CCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852298565	FG	On-Demand	Anodyne	HTR1A	15	41
O=C1CCC2=C(CCN(CCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852298565	FG	On-Demand	Anodyne	DRD2	23	42
O=C1CCC2=C(CCN(CCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852298565	FG	On-Demand	Anodyne	HTR2A	15	41
O=C1CCC2=C(CCN(CCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852298565	FG	On-Demand	Anodyne	HRH3	21	44
O=C1CCC2=C(CCN(CCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852298565	FG	On-Demand	Anodyne	GALR3	65	44
COc1cccc(OC)c1OC[C@@H](O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852298667	FD	On-Demand	Anodyne	ABCB1	60	37
COc1cccc(OC)c1OC[C@H](O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852298669	FD	On-Demand	Anodyne	ABCB1	60	37
O=C1CCC2=C(CCN(CCc3ccc4c(c3)CCO4)C2)N1	ZINC000852298675	CE	On-Demand	Anodyne	KCNJ1	52	43
O=C1CCC2=C(CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)N1	ZINC000852298732	GD	On-Demand	Bother	SSTR1	39	41
O=C1CCC2=C(CCN(CCCc3cccc4ccccc34)C2)N1	ZINC000852298741	DH	On-Demand	Anodyne	EBP	40	39
C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852298749	GC	On-Demand	Anodyne	TTK	22	41
O=C1CCC2=C(CCN(Cc3csc(-c4ccccc4F)n3)C2)N1	ZINC000852298767	EG	On-Demand	Anodyne	GABRA3	40	38
O=C1CCC2=C(CCN(CC(=O)N[C@H]3CCOc4ccccc43)C2)N1	ZINC000852298777	ED	On-Demand	Anodyne	BDKRB1	24	42
O=C1CCC2=C(CCN(CC(=O)N[C@H]3CCOc4ccccc43)C2)N1	ZINC000852298777	ED	On-Demand	Anodyne	LUXR	53	34
O=C1CCC2=C(CCN(CC(=O)N[C@H]3CCOc4ccccc43)C2)N1	ZINC000852298777	ED	On-Demand	Anodyne	TRAR	56	34
O=C1CCC2=C(CCN(CC(=O)N[C@@H]3CCOc4ccccc43)C2)N1	ZINC000852298779	ED	On-Demand	Anodyne	BDKRB1	24	42
O=C1CCC2=C(CCN(CC(=O)N[C@@H]3CCOc4ccccc43)C2)N1	ZINC000852298779	ED	On-Demand	Anodyne	LUXR	53	34
O=C1CCC2=C(CCN(CC(=O)N[C@@H]3CCOc4ccccc43)C2)N1	ZINC000852298779	ED	On-Demand	Anodyne	TRAR	56	34
O=C1CCC2=C(CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)N1	ZINC000852298783	DD	On-Demand	Bother	LTA4H	23	53
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852298786	FF	On-Demand	Anodyne	CALCRL	19	43
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852298788	FF	On-Demand	Anodyne	CALCRL	19	43
O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852298790	FF	On-Demand	Anodyne	CALCRL	19	43
O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852298792	FF	On-Demand	Anodyne	CALCRL	19	43
O=C1CCC2=C(CCN(CC(=O)Nc3ccccc3Cl)C2)N1	ZINC000852298831	DE	On-Demand	Anodyne	KCNQ2	22	41
O=C(NCCc1cccc(OCC(F)(F)F)c1)NNc1ccc(Cl)cn1	ZINC000852298843	GH	On-Demand	Reactive	PDS	40	38
O=C1CCC2=C(CCN(Cc3cccc(OCc4ccccc4)c3)C2)N1	ZINC000852298895	EH	On-Demand	Anodyne	MAOB	33	48
O=C1CCC2=C(CCN(CCCOc3ccccc3)C2)N1	ZINC000852298902	CE	On-Demand	Anodyne	DRD2	21	44
O=C1CCC2=C(CCN(CCCOc3ccccc3)C2)N1	ZINC000852298902	CE	On-Demand	Anodyne	HRH3	59	46
O=C1CCC2=C(CCN(CCCOc3ccccc3)C2)N1	ZINC000852298902	CE	On-Demand	Anodyne	SIGMAR1	17	44
O=C1CCC2=C(CCN(CCCOc3ccccc3)C2)N1	ZINC000852298902	CE	On-Demand	Anodyne	HTR5A	35	49
O=C1CCC2=C(CCN(CC(=O)OCc3ccccc3)C2)N1	ZINC000852298914	DD	On-Demand	Anodyne	SLC12A5	58	33
COc1ccc(NC(=O)[C@H](C)N2CCC3=C(CCC(=O)N3)C2)cc1OC	ZINC000852298932	FD	On-Demand	Anodyne	ENPP1	69	33
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)C2)N1	ZINC000852298942	FF	On-Demand	Anodyne	TRPM8	49	37
O=C1CCC2=C(CCN(CCCOc3cccc(Cl)c3)C2)N1	ZINC000852298951	DF	On-Demand	Anodyne	HTR1A	18	42
O=C1CCC2=C(CCN(CCCOc3cccc(Cl)c3)C2)N1	ZINC000852298951	DF	On-Demand	Anodyne	DRD2	26	43
O=C1CCC2=C(CCN(CCCOc3cccc(Cl)c3)C2)N1	ZINC000852298951	DF	On-Demand	Anodyne	HTR2A	21	42
O=C1CCC2=C(CCN(CCCOc3cccc(Cl)c3)C2)N1	ZINC000852298951	DF	On-Demand	Anodyne	HRH3	33	48
O=C1CCC2=C(CCN(CCCOc3cccc(Cl)c3)C2)N1	ZINC000852298951	DF	On-Demand	Anodyne	HTR5A	24	42
O=C1CCC2=C(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)N1	ZINC000852298958	CD	On-Demand	Bother	KCNJ1	27	47
O=C(NCCc1cccc(OCC(F)(F)F)c1)N[C@@H]1C=CCC1	ZINC000852298959	EG	On-Demand	Anodyne	HRH2	24	41
O=C(NCCc1cccc(OCC(F)(F)F)c1)N[C@@H]1C=CCC1	ZINC000852298959	EG	On-Demand	Anodyne	PDS	44	39
O=C(NCCc1cccc(OCC(F)(F)F)c1)N[C@H]1C=CCC1	ZINC000852298961	EG	On-Demand	Anodyne	HRH2	24	41
O=C(NCCc1cccc(OCC(F)(F)F)c1)N[C@H]1C=CCC1	ZINC000852298961	EG	On-Demand	Anodyne	PDS	44	39
O=C1CCC2=C(CCN(CC(=O)Nc3ccc4ccccc4c3)C2)N1	ZINC000852298963	EF	On-Demand	Anodyne	IMDH_CRYPV	19	41
O=C(CN1CCC2=C(CCC(=O)N2)C1)NCC1(c2ccccc2)CCCCC1	ZINC000852298965	GF	On-Demand	Anodyne	NPFFR1	17	40
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA2	54	53
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA1	53	48
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA7	31	46
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA5B	32	46
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA4	36	48
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA5A	30	46
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA14	24	41
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA12	37	47
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	CA9	42	53
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	NCE103	15	42
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852298971	GB	On-Demand	Anodyne	A6YCJ1_9METZ	23	43
N#Cc1c(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)sc2c1CCCCC2	ZINC000852298974	GF	On-Demand	Mild	VIPR1	29	48
O=C(CN1CCC2=C(CCC(=O)N2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852299022	GD	On-Demand	Anodyne	EPHX2	67	39
COc1ccc2c(CN3CCC4=C(CCC(=O)N4)C3)cc(=O)oc2c1	ZINC000852299030	EE	On-Demand	Anodyne	CYP11B1	17	42
O=C1CCC2=C(CCN(CCCOc3ccc4c(c3)OCO4)C2)N1	ZINC000852299042	EE	On-Demand	Anodyne	DRD2	19	40
O=C1CCC2=C(CCN(CCCOc3ccc4c(c3)OCO4)C2)N1	ZINC000852299042	EE	On-Demand	Anodyne	HRH3	23	47
O=C1CCC2=C(CCN(CCc3ccc([N+](=O)[O-])cc3)C2)N1	ZINC000852299051	DE	On-Demand	Bother	KCNJ1	43	56
CS(=O)(=O)c1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299054	FD	On-Demand	Anodyne	HRH3	51	43
CS(=O)(=O)c1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299054	FD	On-Demand	Anodyne	HTR5A	24	41
O=C1CCC2=C(CCN([C@H]3CCCc4ccccc43)C2)N1	ZINC000852299094	CF	On-Demand	Anodyne	OPRL1	15	48
O=C1CCC2=C(CCN([C@@H]3CCCc4ccccc43)C2)N1	ZINC000852299096	CF	On-Demand	Anodyne	OPRL1	15	48
O=C1CCC2=C(CCN(CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)N1	ZINC000852299130	GG	On-Demand	Anodyne	LTA4H	25	42
O=C1CCC2=C(CCN(CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)N1	ZINC000852299130	GG	On-Demand	Anodyne	ACOX1	18	41
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2=C(CCC(=O)N2)C1	ZINC000852299142	GG	On-Demand	Mild	VIPR1	26	41
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2=C(CCC(=O)N2)C1	ZINC000852299144	GG	On-Demand	Mild	VIPR1	26	41
O=C(CN1CCC2=C(CCC(=O)N2)C1)NCc1ccc2c(c1)OCO2	ZINC000852299166	EC	On-Demand	Anodyne	NOS2	93	37
O=C1CCC2=C(CCN(Cc3nc(O)c4oc5ccccc5c4n3)C2)N1	ZINC000852299193	FE	On-Demand	Anodyne	PIM3	20	45
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA2	60	55
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA1	56	55
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA7	30	41
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA5B	26	41
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA4	52	44
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA5A	30	41
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA14	23	41
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA12	38	44
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	CA9	41	55
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	MTCA1	44	38
NS(=O)(=O)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299224	FC	On-Demand	Anodyne	P96878_MYCTU	55	38
O=C1CCC2=C(CCN(CCCOc3ccc4ccccc4c3)C2)N1	ZINC000852299236	EG	On-Demand	Anodyne	HTR1A	19	40
O=C1CCC2=C(CCN(CCCOc3ccc4ccccc4c3)C2)N1	ZINC000852299236	EG	On-Demand	Anodyne	DRD2	27	45
O=C1CCC2=C(CCN(CCCOc3ccc4ccccc4c3)C2)N1	ZINC000852299236	EG	On-Demand	Anodyne	ACHE	15	42
O=C1CCC2=C(CCN(CCCOc3ccc4ccccc4c3)C2)N1	ZINC000852299236	EG	On-Demand	Anodyne	HTR2A	20	51
O=C1CCC2=C(CCN(CCCOc3ccc4ccccc4c3)C2)N1	ZINC000852299236	EG	On-Demand	Anodyne	HRH3	53	40
O=C1CCC2=C(CCN(CCCOc3ccc4ccccc4c3)C2)N1	ZINC000852299236	EG	On-Demand	Anodyne	SIGMAR1	23	47
O=C1CCC2=C(CCN(CCCOc3ccc4ccccc4c3)C2)N1	ZINC000852299236	EG	On-Demand	Anodyne	BCHE	19	42
O=C1CCC2=C(CCN(CCCOc3ccc4ccccc4c3)C2)N1	ZINC000852299236	EG	On-Demand	Anodyne	HTR5A	28	51
O=C1CCC2=C(CCN(CCNS(=O)(=O)c3ccccc3)C2)N1	ZINC000852299255	EC	On-Demand	Anodyne	HTR7	20	60
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852299262	GJ	On-Demand	Anodyne	TACR1	65	37
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852299263	GJ	On-Demand	Anodyne	TACR1	65	37
O=C1CCC2=C(CCN(CCOc3cccc4ccccc34)C2)N1	ZINC000852299281	DG	On-Demand	Anodyne	HTR1A	17	42
O=C1CCC2=C(CCN(CCOc3cccc4ccccc34)C2)N1	ZINC000852299281	DG	On-Demand	Anodyne	DRD2	19	42
O=C1CCC2=C(CCN(CCOc3cccc4ccccc34)C2)N1	ZINC000852299281	DG	On-Demand	Anodyne	HTR5A	20	46
O=C1CCC2=C(CCN(CCOc3cccc4ccccc34)C2)N1	ZINC000852299281	DG	On-Demand	Anodyne	MCL1	40	39
O=C1CCC2=C(CCN(Cc3cc(=O)oc4cc(O)ccc34)C2)N1	ZINC000852299343	ED	On-Demand	Anodyne	HSD17B3	34	47
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc4[nH]ccc34)C2)N1	ZINC000852299348	ED	On-Demand	Anodyne	ADRB1	18	45
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc4[nH]ccc34)C2)N1	ZINC000852299348	ED	On-Demand	Anodyne	HTR1A	15	51
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc4[nH]ccc34)C2)N1	ZINC000852299348	ED	On-Demand	Anodyne	SLC6A4	18	42
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc4[nH]ccc34)C2)N1	ZINC000852299348	ED	On-Demand	Anodyne	ABCB1	45	37
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc4[nH]ccc34)C2)N1	ZINC000852299349	ED	On-Demand	Anodyne	ADRB1	18	45
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc4[nH]ccc34)C2)N1	ZINC000852299349	ED	On-Demand	Anodyne	HTR1A	15	51
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc4[nH]ccc34)C2)N1	ZINC000852299349	ED	On-Demand	Anodyne	SLC6A4	18	42
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc4[nH]ccc34)C2)N1	ZINC000852299349	ED	On-Demand	Anodyne	ABCB1	45	37
O=C(CN1CCC2=C(CCC(=O)N2)C1)NCc1ccc(F)cc1C(F)(F)F	ZINC000852299353	GE	On-Demand	Anodyne	P2RX7	34	47
O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852299361	GG	On-Demand	Anodyne	EPHX2	15	40
O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852299361	GG	On-Demand	Anodyne	CALCRL	22	46
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852299362	GG	On-Demand	Anodyne	EPHX2	15	40
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852299362	GG	On-Demand	Anodyne	CALCRL	22	46
O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852299363	GG	On-Demand	Anodyne	EPHX2	15	40
O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852299363	GG	On-Demand	Anodyne	CALCRL	22	46
COC(=O)N(C)CCNC(=O)NCCc1cccc(OCC(F)(F)F)c1	ZINC000852299364	GE	On-Demand	Anodyne	CRTM	44	36
COC(=O)N(C)CCNC(=O)NCCc1cccc(OCC(F)(F)F)c1	ZINC000852299364	GE	On-Demand	Anodyne	PDS	62	40
O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852299366	GG	On-Demand	Anodyne	EPHX2	15	40
O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852299366	GG	On-Demand	Anodyne	CALCRL	22	46
N#Cc1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299381	DE	On-Demand	Mild	HRH3	46	52
N#Cc1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299381	DE	On-Demand	Mild	HTR5A	23	43
N#Cc1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299381	DE	On-Demand	Mild	MEN1	42	39
O=C1CCC2=C(CCN(CCOc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852299383	FH	On-Demand	Anodyne	LTA4H	63	52
O=C1CCC2=C(CCN(CCOc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852299383	FH	On-Demand	Anodyne	HRH3	15	40
O=C1CCC2=C(CCN(CCOc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852299383	FH	On-Demand	Anodyne	HTR5A	23	41
O=C1CCC2=C(CCN(CCOc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852299383	FH	On-Demand	Anodyne	PSMB1	41	38
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852299385	GG	On-Demand	Anodyne	LTA4H	45	51
N#Cc1cccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852299412	DD	On-Demand	Mild	CCR3	15	42
N#Cc1cccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852299412	DD	On-Demand	Mild	MCHR1	35	43
O=C1CCC2=C(CCN(CCCCOc3ccccc3C(F)(F)F)C2)N1	ZINC000852299443	FH	On-Demand	Anodyne	DRD2	23	47
O=C(NCCc1cccc(OCC(F)(F)F)c1)NCc1ncccn1	ZINC000852299451	FE	On-Demand	Anodyne	PDS	53	40
C[C@@H](ON=C(N)c1cccs1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852299462	FH	On-Demand	Mild	IMDH_CRYPV	46	36
N#Cc1cccc(OCCCN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852299475	DE	On-Demand	Mild	DRD2	19	42
N#Cc1cccc(OCCCN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852299475	DE	On-Demand	Mild	HRH3	30	44
O=C1CCC2=C(CCN(CC(=O)Nc3cccnc3Cl)C2)N1	ZINC000852299490	DD	On-Demand	Anodyne	G2YM83_BOTF4	58	32
O=C(CN1CCC2=C(CCC(=O)N2)C1)NCc1cccnc1	ZINC000852299548	DC	On-Demand	Anodyne	NAMPT	63	40
O=C1CCC2=C(CCN(CCc3ccc(F)c(F)c3)C2)N1	ZINC000852299558	CE	On-Demand	Anodyne	ABCC1	77	33
CC(=O)Nc1cccc(CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852299584	CE	On-Demand	Anodyne	HTR1D	18	42
O=C1CCC2=C(CCN(CC(=O)c3c(-c4ccccc4)[nH]c4ccccc34)C2)N1	ZINC000852299588	GH	On-Demand	Anodyne	TSPO	24	44
O=C(CN1CCC2=C(CCC(=O)N2)C1)NCCOc1cccc(C(F)(F)F)c1	ZINC000852299604	GE	On-Demand	Anodyne	HRH2	23	41
O=C(CN1CCC2=C(CCC(=O)N2)C1)NCCOc1cccc(C(F)(F)F)c1	ZINC000852299604	GE	On-Demand	Anodyne	PDS	41	39
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)N1	ZINC000852299628	GG	On-Demand	Anodyne	TSHR	49	33
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)N1	ZINC000852299628	GG	On-Demand	Anodyne	MAOB	15	41
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)N1	ZINC000852299628	GG	On-Demand	Anodyne	LTA4H	37	49
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)N1	ZINC000852299628	GG	On-Demand	Anodyne	ADAM17	25	40
O=C(NCCc1cccc(OCC(F)(F)F)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852299640	FG	On-Demand	Anodyne	HRH2	23	41
O=C(NCCc1cccc(OCC(F)(F)F)c1)N[C@H]1COC2(CCC2)C1	ZINC000852299641	FG	On-Demand	Anodyne	HRH2	23	41
O=C1CCC2=C(CCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)N1	ZINC000852299646	GH	On-Demand	Anodyne	PTGER1	47	40
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC2=C(CCC(=O)N2)C1	ZINC000852299673	ED	On-Demand	Anodyne	G2YM83_BOTF4	66	34
O=C1CCC2=C(CCN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)C2)N1	ZINC000852299678	GE	On-Demand	Anodyne	CNR2	22	40
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)N1	ZINC000852299714	GG	On-Demand	Anodyne	IMDH_CRYPV	17	42
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)N1	ZINC000852299719	FE	On-Demand	Anodyne	P2RY1	61	39
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)N1	ZINC000852299719	FE	On-Demand	Anodyne	EPHX2	54	40
O=C1CCC2=C(CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)N1	ZINC000852299719	FE	On-Demand	Anodyne	NOD2	25	43
O=C1CCC2=C(CCN(CCCc3ccccc3)C2)N1	ZINC000852299736	CE	On-Demand	Anodyne	SIGMAR1	42	55
O=C1CCC2=C(CCN(CCCc3ccccc3)C2)N1	ZINC000852299736	CE	On-Demand	Anodyne	HTR5A	23	44
CSc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299746	CF	On-Demand	Anodyne	NOD2	17	43
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC2=C(CCC(=O)N2)C1	ZINC000852299765	FF	On-Demand	Anodyne	RBP4	45	32
O=C(CN1CCC2=C(CCC(=O)N2)C1)NCC1(c2ccccc2)CCCC1	ZINC000852299797	FE	On-Demand	Anodyne	NPFFR1	19	40
O=C1CCC2=C(CCN(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)N1	ZINC000852299804	GD	On-Demand	Anodyne	SSTR1	17	40
O=C1CCC2=C(CCN(CC(=O)Nc3ccccc3C(F)(F)F)C2)N1	ZINC000852299825	FF	On-Demand	Anodyne	RBP4	41	33
O=C1CCC2=C(CCN([C@@H]3CCCC[C@H]3O)C2)N1	ZINC000852299836	CD	On-Demand	Anodyne	SLC18A3	32	41
O=C1CCC2=C(CCN(CCOCCOc3ccccc3)C2)N1	ZINC000852299838	DD	On-Demand	Anodyne	HRH3	15	40
O=C1CCC2=C(CCN(CCOCCOc3ccccc3)C2)N1	ZINC000852299838	DD	On-Demand	Anodyne	HTR5A	25	44
NC(=O)c1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299843	CD	On-Demand	Anodyne	NOD2	41	35
O=C(CN1CCC2=C(CCC(=O)N2)C1)NCC1(c2ccccc2)CC1	ZINC000852299849	ED	On-Demand	Anodyne	NPFFR1	15	42
O=C(CCN1CCC2=C(CCC(=O)N2)C1)NCc1ccccc1Cl	ZINC000852299852	EE	On-Demand	Anodyne	P2RX7	31	41
O=C1CCC2=C(CCN(CCCOCCc3ccccc3)C2)N1	ZINC000852299863	DF	On-Demand	Anodyne	SIGMAR1	27	42
O=C1CCC2=C(CCN(CCOc3cccc(F)c3)C2)N1	ZINC000852299878	CE	On-Demand	Anodyne	HTR5A	18	40
COc1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299879	DE	On-Demand	Anodyne	DRD2	21	43
COc1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299879	DE	On-Demand	Anodyne	HRH3	71	42
COc1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299879	DE	On-Demand	Anodyne	SIGMAR1	15	45
COc1ccc(OCCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852299879	DE	On-Demand	Anodyne	HTR5A	27	47
O=C1CCC2=C(CCN(CC(=O)Nc3ccc4c(c3)CCC4)C2)N1	ZINC000852299897	ED	On-Demand	Anodyne	CALCRL	40	36
O=C1CCC2=C(CCN(CC(=O)Nc3cccc(Cl)c3)C2)N1	ZINC000852299898	DE	On-Demand	Anodyne	MCHR1	19	41
CCN1CC[C@H](N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852299934	GF	On-Demand	Anodyne	GPR119	28	43
CCN1CC[C@@H](N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852299935	GF	On-Demand	Anodyne	GPR119	28	43
CCN1CC[C@H](N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852299936	GF	On-Demand	Anodyne	GPR119	28	43
CCN1CC[C@@H](N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852299937	GF	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCOC(F)F)C2)CC1	ZINC000852299938	FH	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCOC(F)F)C2)CC1	ZINC000852299939	FH	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3CCNC(=O)CC3)C2)CC1	ZINC000852299947	GG	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CCNC(=O)CC3)C2)CC1	ZINC000852299948	GG	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H]3CCNC(=O)CC3)C2)CC1	ZINC000852299949	GG	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CCNC(=O)CC3)C2)CC1	ZINC000852299950	GG	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCOCC(F)F)C2)CC1	ZINC000852299960	GH	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCOCC(F)F)C2)CC1	ZINC000852299961	GH	On-Demand	Anodyne	GPR119	25	41
C#C[C@@H](NC(=O)N[C@@H]1C[C@H]1c1ccccc1)C1CCOCC1	ZINC000852299964	CE	On-Demand	Mild	EPHX2	19	46
CC(=O)NCCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852299973	FF	On-Demand	Anodyne	GPR119	27	42
CC(=O)NCCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852299974	FF	On-Demand	Anodyne	GPR119	27	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3cn[nH]c3)C2)CC1	ZINC000852299978	FG	On-Demand	Anodyne	GPR119	41	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3cn[nH]c3)C2)CC1	ZINC000852299979	FG	On-Demand	Anodyne	GPR119	41	44
COC(=O)[C@@](C)(O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852299980	GE	On-Demand	Anodyne	GPR119	25	45
COC(=O)[C@@](C)(O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852299983	GE	On-Demand	Anodyne	GPR119	25	45
Cn1cncc1CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852299984	GG	On-Demand	Anodyne	GPR119	40	46
Cn1cncc1CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852299985	GG	On-Demand	Anodyne	GPR119	40	46
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12	ZINC000852299990	EF	On-Demand	Anodyne	MTNR1A	17	47
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3cccnc3)C2)CC1	ZINC000852299991	FH	On-Demand	Anodyne	FKBP1A	22	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3cccnc3)C2)CC1	ZINC000852299991	FH	On-Demand	Anodyne	GRIN2B	17	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3cccnc3)C2)CC1	ZINC000852299991	FH	On-Demand	Anodyne	CHRNA7	47	38
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3cccnc3)C2)CC1	ZINC000852299991	FH	On-Demand	Anodyne	GPR119	49	49
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3cccnc3)C2)CC1	ZINC000852299992	FH	On-Demand	Anodyne	FKBP1A	22	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3cccnc3)C2)CC1	ZINC000852299992	FH	On-Demand	Anodyne	GRIN2B	17	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3cccnc3)C2)CC1	ZINC000852299992	FH	On-Demand	Anodyne	CHRNA7	47	38
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3cccnc3)C2)CC1	ZINC000852299992	FH	On-Demand	Anodyne	GPR119	49	49
Cc1ncc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1	ZINC000852299993	FH	On-Demand	Anodyne	GPR119	52	49
Cc1ncc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1	ZINC000852299994	FH	On-Demand	Anodyne	GPR119	52	49
Cn1nccc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852299995	FG	On-Demand	Anodyne	GPR119	48	47
Cn1nccc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852299996	FG	On-Demand	Anodyne	GPR119	48	47
Cn1cnc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1	ZINC000852300002	FG	On-Demand	Anodyne	GPR119	46	50
Cn1cnc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c1	ZINC000852300003	FG	On-Demand	Anodyne	GPR119	46	50
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852300006	EE	On-Demand	Anodyne	EPHX2	19	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CNC(=O)O3)C2)CC1	ZINC000852300010	FE	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3CNC(=O)O3)C2)CC1	ZINC000852300011	FE	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CNC(=O)O3)C2)CC1	ZINC000852300012	FE	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H]3CNC(=O)O3)C2)CC1	ZINC000852300013	FE	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C3CC(OC(C)(C)C)C3)C2)CC1	ZINC000852300014	GJ	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C3CC(OC(C)(C)C)C3)C2)CC1	ZINC000852300015	GJ	On-Demand	Anodyne	GPR119	26	44
O=C(N[C@@H]1C[C@H]1c1cccc2ccccc12)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852300016	FF	On-Demand	Anodyne	EPHX2	18	41
O=C(N[C@@H]1C[C@H]1c1cccc2ccccc12)N1CC[C@H](N2CCOC2=O)C1	ZINC000852300017	FF	On-Demand	Anodyne	EPHX2	18	41
C=CCN1CC[C@H](N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852300018	GG	On-Demand	Mild	GPR119	25	42
C=CCN1CC[C@H](N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852300019	GG	On-Demand	Mild	GPR119	25	42
C=CCN1CC[C@@H](N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852300020	GG	On-Demand	Mild	GPR119	25	42
O=C1CCC2=C(CCN(CCC(=O)Nc3ccccc3Cl)C2)N1	ZINC000852300037	EF	On-Demand	Anodyne	KCNQ2	19	40
CCOc1ccc(-c2nc(CN3CCC4=C(CCC(=O)N4)C3)cs2)cc1OC	ZINC000852300038	GH	On-Demand	Anodyne	PPARD	15	40
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852300066	FD	On-Demand	Anodyne	ADRB1	23	45
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852300066	FD	On-Demand	Anodyne	ACOX1	53	37
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852300067	FD	On-Demand	Anodyne	ADRB1	23	45
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852300067	FD	On-Demand	Anodyne	ACOX1	53	37
CCCCCNC(=O)[C@@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852300070	CD	On-Demand	Anodyne	ASAH1	71	32
CCCCCNC(=O)[C@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852300071	CD	On-Demand	Anodyne	ASAH1	71	32
O=C1CCC2=C(CCN(Cc3cccc(C(=O)N4CCCCC4)c3)C2)N1	ZINC000852300113	FF	On-Demand	Anodyne	PARP1	17	44
C=CCN1CC[C@@H](N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852300121	GG	On-Demand	Mild	GPR119	25	42
C[C@H](CO)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300140	EF	On-Demand	Anodyne	GPR119	27	44
C[C@@H](CO)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300141	EF	On-Demand	Anodyne	GPR119	27	44
C[C@H](CO)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300142	EF	On-Demand	Anodyne	GPR119	27	44
C[C@@H](CO)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300143	EF	On-Demand	Anodyne	GPR119	27	44
CO[C@@H]1CC[C@@H](N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1	ZINC000852300151	FH	On-Demand	Anodyne	GPR119	22	42
CO[C@@H]1CC[C@@H](N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1	ZINC000852300152	FH	On-Demand	Anodyne	GPR119	22	42
COC[C@@H](O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300155	FE	On-Demand	Anodyne	GPR119	26	43
COC[C@@H](O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300156	FE	On-Demand	Anodyne	GPR119	26	43
C[C@@H](O)CCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300159	FH	On-Demand	Anodyne	GPR119	28	42
C[C@@H](O)CCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300161	FH	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)NCC3CC3)C2)CC1	ZINC000852300163	GF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)NCC3CC3)C2)CC1	ZINC000852300163	GF	On-Demand	Anodyne	GPR119	27	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)NCC3CC3)C2)CC1	ZINC000852300164	GF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)NCC3CC3)C2)CC1	ZINC000852300164	GF	On-Demand	Anodyne	GPR119	27	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@](C)(O)C(F)(F)F)C2)CC1	ZINC000852300171	GH	On-Demand	Anodyne	GPR119	26	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@](C)(O)C(F)(F)F)C2)CC1	ZINC000852300172	GH	On-Demand	Anodyne	GPR119	26	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@](C)(O)C(F)(F)F)C2)CC1	ZINC000852300173	GH	On-Demand	Anodyne	GPR119	26	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@](C)(O)C(F)(F)F)C2)CC1	ZINC000852300174	GH	On-Demand	Anodyne	GPR119	26	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCC3OCCO3)C2)CC1	ZINC000852300177	FG	On-Demand	Anodyne	GPR119	27	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCC3OCCO3)C2)CC1	ZINC000852300178	FG	On-Demand	Anodyne	GPR119	27	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cnns3)C2)CC1	ZINC000852300183	FG	On-Demand	Anodyne	GPR119	43	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cnns3)C2)CC1	ZINC000852300184	FG	On-Demand	Anodyne	GPR119	43	45
CNC(=O)CCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300190	FF	On-Demand	Anodyne	GPR119	24	41
CNC(=O)CCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300191	FF	On-Demand	Anodyne	GPR119	24	41
CON(C)C(=O)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300196	GF	On-Demand	Anodyne	GPR119	23	43
CON(C)C(=O)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300197	GF	On-Demand	Anodyne	GPR119	23	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCC#N)C2)CC1	ZINC000852300205	EH	On-Demand	Mild	GPR119	27	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCC#N)C2)CC1	ZINC000852300206	EH	On-Demand	Mild	GPR119	27	42
Cn1nnc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852300207	FE	On-Demand	Anodyne	GPR119	31	44
Cn1nnc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852300208	FE	On-Demand	Anodyne	GPR119	31	44
CC[C@@H](O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300210	EG	On-Demand	Anodyne	GPR119	28	43
CC[C@@H](O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300213	EG	On-Demand	Anodyne	GPR119	28	43
CC[C@H](O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300216	EG	On-Demand	Anodyne	GPR119	28	43
CC[C@H](O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300219	EG	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)N3CCCC3)C2)CC1	ZINC000852300222	GF	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)N3CCCC3)C2)CC1	ZINC000852300225	GF	On-Demand	Anodyne	GPR119	28	44
O=C1CCC2=C(CCN(CCCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852300226	FH	On-Demand	Anodyne	HTR1A	15	44
O=C1CCC2=C(CCN(CCCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852300226	FH	On-Demand	Anodyne	DRD2	25	45
O=C1CCC2=C(CCN(CCCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852300226	FH	On-Demand	Anodyne	HTR2A	16	40
O=C1CCC2=C(CCN(CCCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852300226	FH	On-Demand	Anodyne	HRH3	15	44
O=C1CCC2=C(CCN(CCCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852300226	FH	On-Demand	Anodyne	HTR5A	18	40
O=C1CCC2=C(CCN(CCCCOc3cccc(C(F)(F)F)c3)C2)N1	ZINC000852300226	FH	On-Demand	Anodyne	GALR3	64	42
CCOc1ccccc1NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300229	ED	On-Demand	Anodyne	HCN1	47	32
CCOc1ccccc1NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300229	ED	On-Demand	Anodyne	HCN4	40	32
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nc(C#N)cs3)C2)CC1	ZINC000852300234	GH	On-Demand	Mild	GPR119	36	52
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nc(C#N)cs3)C2)CC1	ZINC000852300235	GH	On-Demand	Mild	GPR119	36	52
CC[C@@H](C)c1ccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852300296	EG	On-Demand	Anodyne	SCN2A	15	42
O=C1CCC2=C(CCN(C[C@@H]3COc4ccccc4O3)C2)N1	ZINC000852300317	DD	On-Demand	Anodyne	ADRA2B	19	43
O=C1CCC2=C(CCN(C[C@H]3COc4ccccc4O3)C2)N1	ZINC000852300318	DD	On-Demand	Anodyne	ADRA2B	19	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCOCCC#N)C2)CC1	ZINC000852300321	FG	On-Demand	Mild	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCOCCC#N)C2)CC1	ZINC000852300322	FG	On-Demand	Mild	GPR119	24	40
Cc1nc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)co1	ZINC000852300347	FH	On-Demand	Anodyne	GPR119	40	45
Cc1nc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)co1	ZINC000852300349	FH	On-Demand	Anodyne	GPR119	40	45
O=C1CCC2=C(CCN(CCOc3ccc(F)cc3)C2)N1	ZINC000852300358	CE	On-Demand	Anodyne	DRD2	15	40
O=C1CCC2=C(CCN(CCOc3ccc(F)cc3)C2)N1	ZINC000852300358	CE	On-Demand	Anodyne	LTA4H	38	48
O=C1CCC2=C(CCN(CCOc3ccc(F)cc3)C2)N1	ZINC000852300358	CE	On-Demand	Anodyne	HTR5A	20	49
CNC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300359	EE	On-Demand	Anodyne	GPR119	30	47
O=C1CCC2=C(CCN(CCOc3ccccc3)C2)N1	ZINC000852300360	CD	On-Demand	Anodyne	LTA4H	50	44
O=C1CCC2=C(CCN(CCOc3ccccc3)C2)N1	ZINC000852300360	CD	On-Demand	Anodyne	HRH3	15	43
O=C1CCC2=C(CCN(CCOc3ccccc3)C2)N1	ZINC000852300360	CD	On-Demand	Anodyne	HTR5A	23	42
O=C1CCC2=C(CCN(CCOc3ccccc3)C2)N1	ZINC000852300360	CD	On-Demand	Anodyne	PSMB1	41	38
CNC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300361	EE	On-Demand	Anodyne	GPR119	30	47
O=C1CCC2=C(CCN(CC(=O)N[C@@H]3CCCc4ccccc43)C2)N1	ZINC000852300366	EE	On-Demand	Anodyne	HTR7	15	46
O=C1CCC2=C(CCN(CC(=O)N[C@@H]3CCCc4ccccc43)C2)N1	ZINC000852300366	EE	On-Demand	Anodyne	BDKRB1	56	42
O=C1CCC2=C(CCN(CC(=O)N[C@@H]3CCCc4ccccc43)C2)N1	ZINC000852300366	EE	On-Demand	Anodyne	BIRC3	31	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ncnn3CCF)C2)CC1	ZINC000852300367	GG	On-Demand	Anodyne	GPR119	42	46
O=C1CCC2=C(CCN(CC(=O)N[C@H]3CCCc4ccccc43)C2)N1	ZINC000852300368	EE	On-Demand	Anodyne	HTR7	15	46
O=C1CCC2=C(CCN(CC(=O)N[C@H]3CCCc4ccccc43)C2)N1	ZINC000852300368	EE	On-Demand	Anodyne	BDKRB1	56	42
O=C1CCC2=C(CCN(CC(=O)N[C@H]3CCCc4ccccc43)C2)N1	ZINC000852300368	EE	On-Demand	Anodyne	BIRC3	31	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ncnn3CCF)C2)CC1	ZINC000852300369	GG	On-Demand	Anodyne	GPR119	42	46
Cc1nnc([C@@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)s1	ZINC000852300375	GI	On-Demand	Anodyne	GPR119	24	45
Cc1nnc([C@@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)s1	ZINC000852300376	GI	On-Demand	Anodyne	GPR119	24	45
C[S@@](=O)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300383	FF	On-Demand	Anodyne	GPR119	24	47
C[S@@](=O)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300384	FF	On-Demand	Anodyne	GPR119	24	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CCC[C@@H](O)C3)C2)CC1	ZINC000852300385	GH	On-Demand	Anodyne	GPR119	29	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CCC[C@@H](O)C3)C2)CC1	ZINC000852300386	GH	On-Demand	Anodyne	GPR119	29	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CCC[C@H](O)C3)C2)CC1	ZINC000852300388	GH	On-Demand	Anodyne	GPR119	29	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CCC[C@H](O)C3)C2)CC1	ZINC000852300390	GH	On-Demand	Anodyne	GPR119	29	43
CN(C)C(=O)CCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300395	GG	On-Demand	Anodyne	GPR119	23	41
CN(C)C(=O)CCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300396	GG	On-Demand	Anodyne	GPR119	23	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC[C@H]3CCOC3)C2)CC1	ZINC000852300398	FH	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC[C@@H]3CCOC3)C2)CC1	ZINC000852300400	FH	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC[C@@H]3CCOC3)C2)CC1	ZINC000852300401	FH	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC[C@H]3CCOC3)C2)CC1	ZINC000852300402	FH	On-Demand	Anodyne	GPR119	24	40
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300410	FH	On-Demand	Anodyne	SOAT1	54	42
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852300417	FF	On-Demand	Anodyne	EPHX2	18	44
CN(C)C(=O)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300419	FF	On-Demand	Anodyne	GPR119	25	45
O=C1CCC2=C(CCN(CCCOc3ccc(F)cc3)C2)N1	ZINC000852300420	DE	On-Demand	Anodyne	DRD2	23	44
O=C1CCC2=C(CCN(CCCOc3ccc(F)cc3)C2)N1	ZINC000852300420	DE	On-Demand	Anodyne	HTR2A	19	48
O=C1CCC2=C(CCN(CCCOc3ccc(F)cc3)C2)N1	ZINC000852300420	DE	On-Demand	Anodyne	HRH3	61	43
O=C1CCC2=C(CCN(CCCOc3ccc(F)cc3)C2)N1	ZINC000852300420	DE	On-Demand	Anodyne	HTR5A	32	57
CN(C)C(=O)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300421	FF	On-Demand	Anodyne	GPR119	25	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cc[nH]n3)C2)CC1	ZINC000852300430	EG	On-Demand	Anodyne	GPR119	48	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cc[nH]n3)C2)CC1	ZINC000852300432	EG	On-Demand	Anodyne	GPR119	48	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3OCCO3)C2)CC1	ZINC000852300450	FF	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3OCCO3)C2)CC1	ZINC000852300452	FF	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nc(O)n[nH]3)C2)CC1	ZINC000852300454	FE	On-Demand	Anodyne	GPR119	31	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nc(O)n[nH]3)C2)CC1	ZINC000852300457	FE	On-Demand	Anodyne	GPR119	31	43
C[C@H](C#N)OCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300465	FG	On-Demand	Mild	GPR119	24	40
C[C@@H](C#N)OCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300467	FG	On-Demand	Mild	GPR119	24	40
C[C@H](C#N)OCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300469	FG	On-Demand	Mild	GPR119	24	40
C[C@@H](C#N)OCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300471	FG	On-Demand	Mild	GPR119	24	40
O=C1CCC2=C(CCN(CCC(=O)N[C@H]3CCCc4ccccc43)C2)N1	ZINC000852300500	FE	On-Demand	Anodyne	HTR7	19	51
O=C1CCC2=C(CCN(CCC(=O)N[C@H]3CCCc4ccccc43)C2)N1	ZINC000852300500	FE	On-Demand	Anodyne	BDKRB1	49	40
O=C1CCC2=C(CCN(CCC(=O)N[C@@H]3CCCc4ccccc43)C2)N1	ZINC000852300501	FE	On-Demand	Anodyne	HTR7	19	51
O=C1CCC2=C(CCN(CCC(=O)N[C@@H]3CCCc4ccccc43)C2)N1	ZINC000852300501	FE	On-Demand	Anodyne	BDKRB1	49	40
O=C1CCC2=C(CCN(Cc3cccc(C(=O)NCc4ccco4)c3)C2)N1	ZINC000852300518	FF	On-Demand	Anodyne	CHRM3	15	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cnsn3)C2)CC1	ZINC000852300522	FG	On-Demand	Anodyne	GPR119	46	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cnsn3)C2)CC1	ZINC000852300523	FG	On-Demand	Anodyne	GPR119	46	45
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccccc2)O1	ZINC000852300526	EC	On-Demand	Reactive	EPHX2	19	42
C#CCNC(=O)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300529	GE	On-Demand	Mild	GPR119	23	40
C#CCNC(=O)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300530	GE	On-Demand	Mild	GPR119	23	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3(O)CCOCC3)C2)CC1	ZINC000852300534	GF	On-Demand	Anodyne	GPR119	24	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3(O)CCOCC3)C2)CC1	ZINC000852300535	GF	On-Demand	Anodyne	GPR119	24	42
Cc1noc(C)c1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300536	GI	On-Demand	Anodyne	GPR119	34	43
Cc1noc(C)c1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300537	GI	On-Demand	Anodyne	GPR119	34	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cncc(F)c3)C2)CC1	ZINC000852300542	GI	On-Demand	Anodyne	GPR119	46	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cncc(F)c3)C2)CC1	ZINC000852300543	GI	On-Demand	Anodyne	GPR119	46	45
CC(=O)[C@](C)(O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300547	FF	On-Demand	Anodyne	GPR119	25	45
CC(=O)[C@@](C)(O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300548	FF	On-Demand	Anodyne	GPR119	25	45
CC(=O)[C@@](C)(O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300549	FF	On-Demand	Anodyne	GPR119	25	45
CC(=O)[C@](C)(O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300550	FF	On-Demand	Anodyne	GPR119	25	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3(C#N)CC3)C2)CC1	ZINC000852300574	EH	On-Demand	Mild	GPR119	25	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3(C#N)CC3)C2)CC1	ZINC000852300576	EH	On-Demand	Mild	GPR119	25	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCn3cccn3)C2)CC1	ZINC000852300584	FG	On-Demand	Anodyne	GPR119	34	49
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCn3cccn3)C2)CC1	ZINC000852300589	FG	On-Demand	Anodyne	GPR119	34	49
COC(=O)c1sccc1NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300595	ED	On-Demand	Anodyne	FAS	39	44
CC(=O)c1cccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852300600	ED	On-Demand	Anodyne	ACOX1	51	34
CC(=O)c1cccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852300600	ED	On-Demand	Anodyne	ABCB1	52	54
CC(=O)c1cccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852300601	ED	On-Demand	Anodyne	ACOX1	51	34
CC(=O)c1cccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852300601	ED	On-Demand	Anodyne	ABCB1	52	54
Cc1nc([C@@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)no1	ZINC000852300604	GH	On-Demand	Anodyne	GPR119	23	42
Cc1nc([C@@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)no1	ZINC000852300609	GH	On-Demand	Anodyne	GPR119	23	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cncs3)C2)CC1	ZINC000852300617	FI	On-Demand	Anodyne	GPR119	44	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cncs3)C2)CC1	ZINC000852300620	FI	On-Demand	Anodyne	GPR119	44	47
O=C1CCC2=C(CCN(CC(=O)NC3C4CC5CC(C4)CC3C5)C2)N1	ZINC000852300634	ED	On-Demand	Anodyne	HSD11B1	40	31
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCC3(O)CCC3)C2)CC1	ZINC000852300635	FH	On-Demand	Anodyne	GPR119	23	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCC3(O)CCC3)C2)CC1	ZINC000852300638	FH	On-Demand	Anodyne	GPR119	23	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3C[C@H]4CC[C@H]3O4)C2)CC1	ZINC000852300667	GH	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H]3C[C@H]4CC[C@H]3O4)C2)CC1	ZINC000852300670	GH	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3C[C@H]4CC[C@H]3O4)C2)CC1	ZINC000852300672	GH	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3C[C@H]4CC[C@H]3O4)C2)CC1	ZINC000852300676	GH	On-Demand	Anodyne	GPR119	17	41
C[C@@H]1CN(CCN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1	ZINC000852300683	GG	On-Demand	Anodyne	GPR119	24	43
C[C@@H]1CN(CCN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1	ZINC000852300685	GG	On-Demand	Anodyne	GPR119	24	43
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)N1	ZINC000852300686	GF	On-Demand	Anodyne	ACOX1	50	38
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)N1	ZINC000852300686	GF	On-Demand	Anodyne	ABCB1	62	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccncc3F)C2)CC1	ZINC000852300688	GI	On-Demand	Anodyne	GPR119	59	51
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccncc3F)C2)CC1	ZINC000852300689	GI	On-Demand	Anodyne	GPR119	59	51
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](O)c3cccnc3)C2)CC1	ZINC000852300692	GG	On-Demand	Anodyne	ADRB3	25	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](O)c3cccnc3)C2)CC1	ZINC000852300692	GG	On-Demand	Anodyne	GPR119	47	48
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](O)c3cccnc3)C2)CC1	ZINC000852300693	GG	On-Demand	Anodyne	ADRB3	25	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](O)c3cccnc3)C2)CC1	ZINC000852300693	GG	On-Demand	Anodyne	GPR119	47	48
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](O)c3cccnc3)C2)CC1	ZINC000852300694	GG	On-Demand	Anodyne	ADRB3	25	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](O)c3cccnc3)C2)CC1	ZINC000852300694	GG	On-Demand	Anodyne	GPR119	47	48
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H](O)c3cccnc3)C2)CC1	ZINC000852300695	GG	On-Demand	Anodyne	ADRB3	25	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H](O)c3cccnc3)C2)CC1	ZINC000852300695	GG	On-Demand	Anodyne	GPR119	47	48
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)N1	ZINC000852300713	GF	On-Demand	Anodyne	ACOX1	50	38
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)N1	ZINC000852300713	GF	On-Demand	Anodyne	ABCB1	62	41
COc1ccc(OCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852300717	DD	On-Demand	Anodyne	LTA4H	42	45
COc1ccc(OCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852300717	DD	On-Demand	Anodyne	HTR5A	22	41
C[C@H](c1nc(-c2cccs2)no1)N1CCC2=C(CCC(=O)N2)C1	ZINC000852300772	EF	On-Demand	Anodyne	ETHR	23	40
O=C1CCC2=C(CCN(C[C@@H](O)COc3c(Cl)cccc3Cl)C2)N1	ZINC000852300783	FF	On-Demand	Anodyne	ABCB1	41	34
O=C1CCC2=C(CCN(C[C@H](O)COc3c(Cl)cccc3Cl)C2)N1	ZINC000852300787	FF	On-Demand	Anodyne	ABCB1	41	34
N#CCCn1cc(C(=O)CN2CCC3=C(CCC(=O)N3)C2)c2ccccc21	ZINC000852300792	FF	On-Demand	Mild	CNR2	17	40
C[C@H]1CCc2ccccc2N1C(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300798	EE	On-Demand	Anodyne	DRD4	26	45
O=C1CCC2=C(CCN(Cc3ccc(C(=O)N4CCCC4)cc3)C2)N1	ZINC000852300811	EE	On-Demand	Anodyne	L3MBTL3	49	45
CC(=O)c1cc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)on1	ZINC000852300821	GH	On-Demand	Anodyne	GPR119	35	44
CC(=O)c1cc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)on1	ZINC000852300822	GH	On-Demand	Anodyne	GPR119	35	44
C[C@@H](C(N)=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300824	EE	On-Demand	Anodyne	GPR119	26	47
C[C@@H](C(N)=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300827	EE	On-Demand	Anodyne	GPR119	26	47
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cnn[nH]3)C2)CC1	ZINC000852300828	EF	On-Demand	Anodyne	GPR119	43	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cnn[nH]3)C2)CC1	ZINC000852300829	EF	On-Demand	Anodyne	GPR119	43	45
O=C(NCC1SCCS1)N[C@@H]1C[C@H]1c1cccc2ccccc12	ZINC000852300838	EH	On-Demand	Anodyne	MTNR1A	15	43
O=C(NCC1SCCS1)N[C@@H]1C[C@H]1c1cccc2ccccc12	ZINC000852300838	EH	On-Demand	Anodyne	MTNR1B	15	60
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3CCOCC3)C2)CC1	ZINC000852300839	FH	On-Demand	Anodyne	GPR119	27	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3CCOCC3)C2)CC1	ZINC000852300840	FH	On-Demand	Anodyne	GPR119	27	45
Cc1oncc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300841	FH	On-Demand	Anodyne	GPR119	46	46
Cc1oncc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300842	FH	On-Demand	Anodyne	GPR119	46	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ncc(C4CC4)o3)C2)CC1	ZINC000852300849	GI	On-Demand	Anodyne	GPR119	47	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ncc(C4CC4)o3)C2)CC1	ZINC000852300850	GI	On-Demand	Anodyne	GPR119	47	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H]3CCC(=O)O3)C2)CC1	ZINC000852300851	FG	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CCC(=O)O3)C2)CC1	ZINC000852300852	FG	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3CCC(=O)O3)C2)CC1	ZINC000852300853	FG	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CCC(=O)O3)C2)CC1	ZINC000852300854	FG	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H](O)CC(F)(F)F)C2)CC1	ZINC000852300860	GH	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](O)CC(F)(F)F)C2)CC1	ZINC000852300861	GH	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](O)CC(F)(F)F)C2)CC1	ZINC000852300862	GH	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](O)CC(F)(F)F)C2)CC1	ZINC000852300863	GH	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](O)C3CC3)C2)CC1	ZINC000852300866	FG	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H](O)C3CC3)C2)CC1	ZINC000852300867	FG	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](O)C3CC3)C2)CC1	ZINC000852300868	FG	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](O)C3CC3)C2)CC1	ZINC000852300869	FG	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCF)C2)CC1	ZINC000852300870	DG	On-Demand	Anodyne	GPR119	33	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCF)C2)CC1	ZINC000852300871	DG	On-Demand	Anodyne	GPR119	33	45
COC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300872	EF	On-Demand	Anodyne	GPR119	30	44
COC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300873	EF	On-Demand	Anodyne	GPR119	30	44
Cc1nc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C)o1	ZINC000852300874	GI	On-Demand	Anodyne	GPR119	30	43
Cc1nc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C)o1	ZINC000852300875	GI	On-Demand	Anodyne	GPR119	30	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](O)c3ccccn3)C2)CC1	ZINC000852300885	GG	On-Demand	Anodyne	GPR119	50	56
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](O)c3ccccn3)C2)CC1	ZINC000852300886	GG	On-Demand	Anodyne	GPR119	50	56
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](O)c3ccccn3)C2)CC1	ZINC000852300887	GG	On-Demand	Anodyne	GPR119	50	56
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H](O)c3ccccn3)C2)CC1	ZINC000852300888	GG	On-Demand	Anodyne	GPR119	50	56
Cn1cncc1CCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300889	GH	On-Demand	Anodyne	GPR119	37	45
Cn1cncc1CCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300890	GH	On-Demand	Anodyne	GPR119	37	45
CCn1nnc(C)c1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300891	GG	On-Demand	Anodyne	GPR119	23	41
CCn1nnc(C)c1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300892	GG	On-Demand	Anodyne	GPR119	23	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3(O)CCSCC3)C2)CC1	ZINC000852300893	GH	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3(O)CCSCC3)C2)CC1	ZINC000852300894	GH	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCn3ccnc3)C2)CC1	ZINC000852300895	GH	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCn3ccnc3)C2)CC1	ZINC000852300896	GH	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@@H]3CCOC3)C2)CC1	ZINC000852300897	EG	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@@H]3CCOC3)C2)CC1	ZINC000852300898	EG	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@H]3CCOC3)C2)CC1	ZINC000852300899	EG	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@H]3CCOC3)C2)CC1	ZINC000852300900	EG	On-Demand	Anodyne	GPR119	22	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCn3ccccc3=O)C2)CC1	ZINC000852300902	GG	On-Demand	Anodyne	SLC6A1	75	33
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCn3ccccc3=O)C2)CC1	ZINC000852300902	GG	On-Demand	Anodyne	GPR119	41	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCn3ccccc3=O)C2)CC1	ZINC000852300903	GG	On-Demand	Anodyne	SLC6A1	75	33
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCn3ccccc3=O)C2)CC1	ZINC000852300903	GG	On-Demand	Anodyne	GPR119	41	47
CCn1nncc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300904	GG	On-Demand	Anodyne	GPR119	39	44
CCn1nncc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300905	GG	On-Demand	Anodyne	GPR119	39	44
C#CCOCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300906	FF	On-Demand	Mild	GPR119	24	41
C#CCOCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852300907	FF	On-Demand	Mild	GPR119	24	41
CN(C)c1noc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852300917	GF	On-Demand	Anodyne	GPR119	28	41
CN(C)c1noc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852300919	GF	On-Demand	Anodyne	GPR119	28	41
CCOc1ccccc1NC(=O)[C@@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852300940	EE	On-Demand	Anodyne	HCN1	49	34
CCOc1ccccc1NC(=O)[C@@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852300940	EE	On-Demand	Anodyne	HCN4	40	34
CCOc1ccccc1NC(=O)[C@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852300941	EE	On-Demand	Anodyne	HCN1	49	34
CCOc1ccccc1NC(=O)[C@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852300941	EE	On-Demand	Anodyne	HCN4	40	34
O=C1CCC2=C(CCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)N1	ZINC000852300964	EE	On-Demand	Bother	HRH3	35	43
O=C1CCC2=C(CCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)N1	ZINC000852300964	EE	On-Demand	Bother	HTR5A	23	52
O=C1CCC2=C(CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)C2)N1	ZINC000852300977	GF	On-Demand	Anodyne	SSTR4	44	36
O=C1CCC2=C(CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)C2)N1	ZINC000852300978	GF	On-Demand	Anodyne	SSTR4	44	36
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300989	FD	On-Demand	Anodyne	OPRM1	41	38
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300989	FD	On-Demand	Anodyne	MME	82	36
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300989	FD	On-Demand	Anodyne	CMA1	45	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300989	FD	On-Demand	Anodyne	FCER2	50	31
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300989	FD	On-Demand	Anodyne	ACE2	64	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300989	FD	On-Demand	Anodyne	BLA1_STEMA	45	32
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300989	FD	On-Demand	Anodyne	PSMB8	57	41
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300991	FD	On-Demand	Anodyne	OPRM1	41	38
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300991	FD	On-Demand	Anodyne	MME	82	36
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300991	FD	On-Demand	Anodyne	CMA1	45	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300991	FD	On-Demand	Anodyne	FCER2	50	31
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300991	FD	On-Demand	Anodyne	ACE2	64	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300991	FD	On-Demand	Anodyne	BLA1_STEMA	45	32
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852300991	FD	On-Demand	Anodyne	PSMB8	57	41
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc(Br)c3)C2)N1	ZINC000852301013	GE	On-Demand	Anodyne	ACOX1	43	31
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc(Br)c3)C2)N1	ZINC000852301015	GE	On-Demand	Anodyne	ACOX1	43	31
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc4ccccc4c3)C2)N1	ZINC000852301033	FE	On-Demand	Anodyne	ACOX1	69	38
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc4ccccc4c3)C2)N1	ZINC000852301033	FE	On-Demand	Anodyne	ABCB1	53	40
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc4ccccc4c3)C2)N1	ZINC000852301034	FE	On-Demand	Anodyne	ACOX1	69	38
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc4ccccc4c3)C2)N1	ZINC000852301034	FE	On-Demand	Anodyne	ABCB1	53	40
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)N1	ZINC000852301037	FF	On-Demand	Anodyne	CCR1	36	40
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc(Cl)cc3Cl)C2)N1	ZINC000852301038	FF	On-Demand	Anodyne	CCR1	36	40
O=C1CCC2=C(CCN(CCOC(c3ccccc3)c3ccccc3)C2)N1	ZINC000852301044	FH	On-Demand	Anodyne	SLC6A4	24	47
O=C1CCC2=C(CCN(CCOC(c3ccccc3)c3ccccc3)C2)N1	ZINC000852301044	FH	On-Demand	Anodyne	SLC6A3	66	55
O=C1CCC2=C(CCN(CCOc3ccc(Cl)cc3)C2)N1	ZINC000852301054	DF	On-Demand	Anodyne	LTA4H	36	47
O=C1CCC2=C(CCN(CCOc3ccc(Cl)cc3)C2)N1	ZINC000852301054	DF	On-Demand	Anodyne	HTR5A	20	40
O=C1CCC2=C(CCN(CCOc3ccc(Cl)cc3)C2)N1	ZINC000852301054	DF	On-Demand	Anodyne	EBP	17	48
O=C1CCC2=C(CCN(C[C@H](O)COc3ccccc3)C2)N1	ZINC000852301057	DD	On-Demand	Anodyne	ABCB1	65	42
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccccc3)C2)N1	ZINC000852301058	DD	On-Demand	Anodyne	ABCB1	65	42
O=C1CCC2=C(CCN(CCCOc3ccc(Cl)cc3)C2)N1	ZINC000852301068	DF	On-Demand	Anodyne	DRD2	19	45
O=C1CCC2=C(CCN(CCCOc3ccc(Cl)cc3)C2)N1	ZINC000852301068	DF	On-Demand	Anodyne	HRH3	57	46
O=C1CCC2=C(CCN(CCCOc3ccc(Cl)cc3)C2)N1	ZINC000852301068	DF	On-Demand	Anodyne	HTR5A	24	47
O=C1CCC2=C(CCN(CCCOc3ccc(Cl)cc3)C2)N1	ZINC000852301068	DF	On-Demand	Anodyne	EBP	17	49
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc(F)cc3)C2)N1	ZINC000852301084	DD	On-Demand	Anodyne	ABCB1	40	45
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc(F)cc3)C2)N1	ZINC000852301085	DD	On-Demand	Anodyne	ABCB1	40	45
COc1cc2c(cc1OC)CN(C(=O)CN1CCC3=C(CCC(=O)N3)C1)CC2	ZINC000852301100	GD	On-Demand	Anodyne	ABCB1B	59	34
COc1cc2c(cc1OC)CN(C(=O)CN1CCC3=C(CCC(=O)N3)C1)CC2	ZINC000852301100	GD	On-Demand	Anodyne	ABCB1	20	46
C[C@H](c1csnn1)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301113	GH	On-Demand	Anodyne	GPR119	31	44
C[C@H](c1csnn1)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301116	GH	On-Demand	Anodyne	GPR119	31	44
C=C(C)[C@H](CO)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301126	FG	On-Demand	Mild	GPR119	24	42
C=C(C)[C@@H](CO)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301127	FG	On-Demand	Mild	GPR119	24	42
C=C(C)[C@H](CO)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301128	FG	On-Demand	Mild	GPR119	24	42
C=C(C)[C@@H](CO)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301129	FG	On-Demand	Mild	GPR119	24	42
CC(C)n1ccnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301130	GI	On-Demand	Anodyne	GPR119	46	48
CC(C)n1ccnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301131	GI	On-Demand	Anodyne	GPR119	46	48
O=C(N[C@@H]1C[C@H]1c1cccc2ccccc12)N1CCC(N2CCOC2=O)CC1	ZINC000852301139	GG	On-Demand	Anodyne	EPHX2	22	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@@H]3CCC[C@H]3O)C2)CC1	ZINC000852301140	FG	On-Demand	Anodyne	GPR119	49	53
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@@H]3CCC[C@H]3O)C2)CC1	ZINC000852301141	FG	On-Demand	Anodyne	GPR119	49	53
Cn1cc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1	ZINC000852301151	FF	On-Demand	Anodyne	GPR119	39	45
Cn1cc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1	ZINC000852301152	FF	On-Demand	Anodyne	GPR119	39	45
CN1CCC[C@H](N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852301169	GF	On-Demand	Anodyne	GPR119	29	45
CN1CCC[C@H](N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852301171	GF	On-Demand	Anodyne	GPR119	29	45
CN(C[C@H](O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CC1	ZINC000852301175	GF	On-Demand	Anodyne	GPR119	24	41
CN(C[C@H](O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CC1	ZINC000852301176	GF	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cc(C4CC4)no3)C2)CC1	ZINC000852301184	GI	On-Demand	Anodyne	GPR119	38	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cc(C4CC4)no3)C2)CC1	ZINC000852301185	GI	On-Demand	Anodyne	GPR119	38	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ncccn3)C2)CC1	ZINC000852301186	FG	On-Demand	Anodyne	GPR119	53	60
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ncccn3)C2)CC1	ZINC000852301187	FG	On-Demand	Anodyne	GPR119	53	60
Cc1nc([C@@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n[nH]1	ZINC000852301188	GH	On-Demand	Anodyne	GPR119	22	44
Cc1nc([C@@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n[nH]1	ZINC000852301189	GH	On-Demand	Anodyne	GPR119	22	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccon3)C2)CC1	ZINC000852301193	EH	On-Demand	Anodyne	GPR119	46	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccon3)C2)CC1	ZINC000852301194	EH	On-Demand	Anodyne	GPR119	46	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCC(=O)N3CCCC3)C2)CC1	ZINC000852301195	GG	On-Demand	Anodyne	PREP	15	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCC(=O)N3CCCC3)C2)CC1	ZINC000852301195	GG	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCC(=O)N3CCCC3)C2)CC1	ZINC000852301196	GG	On-Demand	Anodyne	PREP	15	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCC(=O)N3CCCC3)C2)CC1	ZINC000852301196	GG	On-Demand	Anodyne	GPR119	24	43
Cc1nonc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301197	FG	On-Demand	Anodyne	GPR119	29	43
Cc1nonc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301198	FG	On-Demand	Anodyne	GPR119	29	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccnc(N)c3)C2)CC1	ZINC000852301200	FH	On-Demand	Anodyne	GPR119	54	48
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccnc(N)c3)C2)CC1	ZINC000852301201	FH	On-Demand	Anodyne	GPR119	54	48
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cnc(Cl)cn3)C2)CC1	ZINC000852301204	GH	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cnc(Cl)cn3)C2)CC1	ZINC000852301205	GH	On-Demand	Anodyne	GPR119	48	47
O=C1CCC2=C(CCN(Cc3ccc4oc5ccccc5c4c3)C2)N1	ZINC000852301211	EH	On-Demand	Anodyne	MCHR2	55	32
O=C1CCC2=C(CCN(CCOc3ccccc3Cl)C2)N1	ZINC000852301232	DF	On-Demand	Anodyne	DRD2	15	47
CCCOc1ccc(OCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852301234	EF	On-Demand	Anodyne	LTA4H	35	41
N#Cc1c(NC(=O)CCN2CCC3=C(CCC(=O)N3)C2)sc2c1CCCC2	ZINC000852301240	GF	On-Demand	Mild	VIPR1	31	49
Cc1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)c(C)c1	ZINC000852301253	ED	On-Demand	Anodyne	ABCB1	58	43
Cc1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)c(C)c1	ZINC000852301254	ED	On-Demand	Anodyne	ABCB1	58	43
O=C1CCC2=C(CCN(Cc3ccc(OC(F)(F)F)cc3)C2)N1	ZINC000852301264	EF	On-Demand	Anodyne	NOD2	33	46
O=C1CCC2=C(CCN(CCOc3ccccc3F)C2)N1	ZINC000852301265	CE	On-Demand	Anodyne	DRD2	16	49
NS(=O)(=O)c1ccc(OCCN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852301294	FC	On-Demand	Anodyne	CA7	23	41
O=C1CCC2=C(CCN(CCOc3ccc4ccccc4c3)C2)N1	ZINC000852301300	DG	On-Demand	Anodyne	DRD2	20	41
O=C1CCC2=C(CCN(CCOc3ccc4ccccc4c3)C2)N1	ZINC000852301300	DG	On-Demand	Anodyne	HTR5A	22	44
Cc1cnc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)nc1	ZINC000852301308	FH	On-Demand	Anodyne	GPR119	52	49
Cc1cnc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)nc1	ZINC000852301309	FH	On-Demand	Anodyne	GPR119	52	49
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)CC1	ZINC000852301310	FI	On-Demand	Mild	GPR119	21	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)CC1	ZINC000852301311	FI	On-Demand	Mild	GPR119	21	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)CC1	ZINC000852301312	FI	On-Demand	Mild	GPR119	21	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)CC1	ZINC000852301313	FI	On-Demand	Mild	GPR119	21	42
CCn1nc(C)c(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852301325	GG	On-Demand	Anodyne	GPR119	28	42
CCn1nc(C)c(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852301326	GG	On-Demand	Anodyne	GPR119	28	42
O=C(N[C@H]1C=CCC1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852301327	BF	On-Demand	Anodyne	EPHX2	24	54
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccc(F)cn3)C2)CC1	ZINC000852301336	GI	On-Demand	Anodyne	GPR119	55	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccc(F)cn3)C2)CC1	ZINC000852301337	GI	On-Demand	Anodyne	GPR119	55	46
COCCCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301338	FH	On-Demand	Anodyne	GPR119	25	43
COCCCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301339	FH	On-Demand	Anodyne	GPR119	25	43
CCCn1ncnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301342	GH	On-Demand	Anodyne	GPR119	43	47
CCCn1ncnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301343	GH	On-Demand	Anodyne	GPR119	43	47
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3(O)CCC3)C2)CC1	ZINC000852301346	FG	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3(O)CCC3)C2)CC1	ZINC000852301347	FG	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccno3)C2)CC1	ZINC000852301350	EH	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccno3)C2)CC1	ZINC000852301351	EH	On-Demand	Anodyne	GPR119	48	47
CCn1c(C)nnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301352	GG	On-Demand	Anodyne	GPR119	26	42
CCn1c(C)nnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301353	GG	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCN3CCCCC3)C2)CC1	ZINC000852301360	GH	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCN3CCCCC3)C2)CC1	ZINC000852301361	GH	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCn3cncn3)C2)CC1	ZINC000852301362	FF	On-Demand	Anodyne	GPR119	36	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCn3cncn3)C2)CC1	ZINC000852301363	FF	On-Demand	Anodyne	GPR119	36	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC(F)(F)C3)C2)cc1	ZINC000852301370	FG	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC(F)(F)C3)C2)cc1	ZINC000852301371	FG	On-Demand	Clean	MTNR1A	15	43
O=C(N[C@H]1COC2(CCC2)C1)N[C@@H]1C[C@H]1c1ccccc1	ZINC000852301389	CF	On-Demand	Anodyne	EPHX2	25	52
C[C@H](O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301403	EF	On-Demand	Anodyne	GPR119	30	44
C[C@H](O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301404	EF	On-Demand	Anodyne	GPR119	30	44
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccccc3Cl)C2)N1	ZINC000852301419	ED	On-Demand	Anodyne	ABCB1	64	40
O=C1CCC2=C(CCN(C[C@H](O)COc3ccccc3Cl)C2)N1	ZINC000852301420	ED	On-Demand	Anodyne	ABCB1	64	40
Cc1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852301436	DD	On-Demand	Anodyne	ACOX1	70	33
Cc1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852301436	DD	On-Demand	Anodyne	ABCB1	44	38
Cc1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852301437	DD	On-Demand	Anodyne	ACOX1	70	33
Cc1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852301437	DD	On-Demand	Anodyne	ABCB1	44	38
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccccc3F)C2)N1	ZINC000852301442	DD	On-Demand	Anodyne	ABCB1	63	41
O=C1CCC2=C(CCN(C[C@H](O)COc3ccccc3F)C2)N1	ZINC000852301443	DD	On-Demand	Anodyne	ABCB1	63	41
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)N1	ZINC000852301453	FF	On-Demand	Anodyne	ACOX1	74	36
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)N1	ZINC000852301454	FF	On-Demand	Anodyne	ACOX1	74	36
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852301461	FG	On-Demand	Anodyne	KCNQ2	40	34
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC2=C(CCC(=O)N2)C1	ZINC000852301463	FG	On-Demand	Anodyne	KCNQ2	40	34
C[C@H](CN1CCOCC1)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301468	GG	On-Demand	Anodyne	GPR119	21	42
C[C@H](CN1CCOCC1)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301470	GG	On-Demand	Anodyne	GPR119	21	42
CC(C)(C#N)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301480	FI	On-Demand	Mild	GPR119	27	43
CC(C)(C#N)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301483	FI	On-Demand	Mild	GPR119	27	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCN3CCNC3=O)C2)CC1	ZINC000852301502	GE	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCN3CCNC3=O)C2)CC1	ZINC000852301504	GE	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nccs3)C2)CC1	ZINC000852301506	FI	On-Demand	Anodyne	GPR119	47	51
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nccs3)C2)CC1	ZINC000852301508	FI	On-Demand	Anodyne	GPR119	47	51
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](O)C(F)(F)F)C2)CC1	ZINC000852301512	GG	On-Demand	Anodyne	GPR119	30	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](O)C(F)(F)F)C2)CC1	ZINC000852301513	GG	On-Demand	Anodyne	GPR119	30	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](O)C(F)(F)F)C2)CC1	ZINC000852301516	GG	On-Demand	Anodyne	GPR119	30	43
CON(C)C(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301517	FE	On-Demand	Anodyne	GPR119	27	43
CON(C)C(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301519	FE	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cnon3)C2)CC1	ZINC000852301525	FF	On-Demand	Anodyne	GPR119	43	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cnon3)C2)CC1	ZINC000852301526	FF	On-Demand	Anodyne	GPR119	43	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCC(=O)C3CC3)C2)CC1	ZINC000852301533	FH	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCC(=O)C3CC3)C2)CC1	ZINC000852301535	FH	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3cnn[nH]3)C2)CC1	ZINC000852301537	FF	On-Demand	Anodyne	GPR119	39	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3cnn[nH]3)C2)CC1	ZINC000852301539	FF	On-Demand	Anodyne	GPR119	39	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cn[nH]c3)C2)CC1	ZINC000852301542	EG	On-Demand	Anodyne	GPR119	46	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cn[nH]c3)C2)CC1	ZINC000852301544	EG	On-Demand	Anodyne	GPR119	46	46
O=C1CCC2=C(CCN(C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)N1	ZINC000852301549	FF	On-Demand	Anodyne	CCR1	36	40
O=C1CCC2=C(CCN(C[C@H](O)COc3cc(Cl)ccc3Cl)C2)N1	ZINC000852301551	FF	On-Demand	Anodyne	CCR1	36	40
O=C1CCC2=C(CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)N1	ZINC000852301558	FI	On-Demand	Anodyne	OPRL1	16	46
O=C1CCC2=C(CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)C2)N1	ZINC000852301560	FI	On-Demand	Anodyne	OPRL1	16	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cccc(F)n3)C2)CC1	ZINC000852301570	GI	On-Demand	Anodyne	GPR119	48	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cccc(F)n3)C2)CC1	ZINC000852301571	GI	On-Demand	Anodyne	GPR119	48	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3CCC(=O)CC3)C2)CC1	ZINC000852301576	GI	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3CCC(=O)CC3)C2)CC1	ZINC000852301577	GI	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3(C#N)CCC3)C2)CC1	ZINC000852301578	FI	On-Demand	Mild	GPR119	23	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3(C#N)CCC3)C2)CC1	ZINC000852301579	FI	On-Demand	Mild	GPR119	23	41
CC(C)n1ncnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301580	GH	On-Demand	Anodyne	GPR119	47	47
CC(C)n1ncnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301581	GH	On-Demand	Anodyne	GPR119	47	47
Cn1nncc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301587	FF	On-Demand	Anodyne	GPR119	43	45
Cn1nncc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301588	FF	On-Demand	Anodyne	GPR119	43	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccnc(C#N)c3)C2)CC1	ZINC000852301593	GH	On-Demand	Mild	GPR119	49	55
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccnc(C#N)c3)C2)CC1	ZINC000852301594	GH	On-Demand	Mild	GPR119	49	55
O=C(N[C@@H]1C[C@H]1C1CC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852301595	GG	On-Demand	Anodyne	EPHX2	24	48
O=C(N[C@@H]1C[C@H]1C1CC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852301595	GG	On-Demand	Anodyne	RBP4	59	34
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cc4n(n3)CCC4)C2)CC1	ZINC000852301598	GH	On-Demand	Anodyne	GPR119	35	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cc4n(n3)CCC4)C2)CC1	ZINC000852301599	GH	On-Demand	Anodyne	GPR119	35	44
Cn1cc(CCN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1	ZINC000852301600	GG	On-Demand	Anodyne	GPR119	47	45
Cn1cc(CCN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1	ZINC000852301601	GG	On-Demand	Anodyne	GPR119	47	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCOCCO)C2)CC1	ZINC000852301606	FE	On-Demand	Anodyne	GPR119	24	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCOCCO)C2)CC1	ZINC000852301607	FE	On-Demand	Anodyne	GPR119	24	42
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc4ccccc34)C2)N1	ZINC000852301609	FE	On-Demand	Anodyne	ADRB2	18	49
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc4ccccc34)C2)N1	ZINC000852301609	FE	On-Demand	Anodyne	ADRB1	18	45
O=C1CCC2=C(CCN(C[C@H](O)COc3cccc4ccccc34)C2)N1	ZINC000852301609	FE	On-Demand	Anodyne	ABCB1	69	45
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc4ccccc34)C2)N1	ZINC000852301610	FE	On-Demand	Anodyne	ADRB2	18	49
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc4ccccc34)C2)N1	ZINC000852301610	FE	On-Demand	Anodyne	ADRB1	18	45
O=C1CCC2=C(CCN(C[C@@H](O)COc3cccc4ccccc34)C2)N1	ZINC000852301610	FE	On-Demand	Anodyne	ABCB1	69	45
COC(=O)c1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)c(OC)c1	ZINC000852301611	GD	On-Demand	Anodyne	ABCB1	52	35
COC(=O)c1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)c(OC)c1	ZINC000852301612	GD	On-Demand	Anodyne	ABCB1	52	35
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cccnc3N)C2)CC1	ZINC000852301632	FH	On-Demand	Anodyne	GPR119	51	53
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cccnc3N)C2)CC1	ZINC000852301635	FH	On-Demand	Anodyne	GPR119	51	53
CO[C@@H](C)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301643	EG	On-Demand	Anodyne	GPR119	25	43
CO[C@@H](C)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301647	EG	On-Demand	Anodyne	GPR119	25	43
C#CCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301659	DG	On-Demand	Mild	GPR119	29	44
C#CCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301661	DG	On-Demand	Mild	GPR119	29	44
Cn1ncc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852301663	FF	On-Demand	Anodyne	GPR119	46	48
Cn1ncc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852301665	FF	On-Demand	Anodyne	GPR119	46	48
COC(=O)c1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852301666	DD	On-Demand	Anodyne	NOD1	18	42
COC(=O)c1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852301666	DD	On-Demand	Anodyne	NOD2	47	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@H]3CCC(=O)NC3=O)C2)CC1	ZINC000852301667	GE	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@H]3CCC(=O)NC3=O)C2)CC1	ZINC000852301669	GE	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@@H]3CCC(=O)NC3=O)C2)CC1	ZINC000852301672	GE	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@@H]3CCC(=O)NC3=O)C2)CC1	ZINC000852301674	GE	On-Demand	Anodyne	GPR119	25	43
O=C1CCC2=C(CCN(CC(=O)N3CCC(Cc4ccccc4)CC3)C2)N1	ZINC000852301678	FE	On-Demand	Anodyne	GRIN2B	79	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3ccncc3)C2)CC1	ZINC000852301690	FH	On-Demand	Anodyne	BIRC2	38	47
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3ccncc3)C2)CC1	ZINC000852301690	FH	On-Demand	Anodyne	GPR119	51	52
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3ccncc3)C2)CC1	ZINC000852301692	FH	On-Demand	Anodyne	BIRC2	38	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3ccncc3)C2)CC1	ZINC000852301692	FH	On-Demand	Anodyne	GPR119	51	52
O=C1CCC2=C(CCN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)N1	ZINC000852301695	GD	On-Demand	Anodyne	HTR1A	16	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccc(C#N)cn3)C2)CC1	ZINC000852301701	GH	On-Demand	Mild	GPR119	54	49
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)CC1	ZINC000852301703	GH	On-Demand	Mild	GPR119	54	49
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3cscn3)C2)CC1	ZINC000852301705	GI	On-Demand	Anodyne	GPR119	42	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3cscn3)C2)CC1	ZINC000852301707	GI	On-Demand	Anodyne	GPR119	42	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@@H]3CCCNC3=O)C2)CC1	ZINC000852301709	FF	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@@H]3CCCNC3=O)C2)CC1	ZINC000852301711	FF	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@H]3CCCNC3=O)C2)CC1	ZINC000852301714	FF	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@H]3CCCNC3=O)C2)CC1	ZINC000852301716	FF	On-Demand	Anodyne	GPR119	27	46
CCOC(=O)[C@](C)(O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301719	GF	On-Demand	Anodyne	GPR119	23	43
CCOC(=O)[C@](C)(O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301722	GF	On-Demand	Anodyne	GPR119	23	43
CCOC(=O)[C@@](C)(O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301724	GF	On-Demand	Anodyne	GPR119	23	43
CCOC(=O)[C@@](C)(O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301726	GF	On-Demand	Anodyne	GPR119	23	43
Cc1nc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n[nH]1	ZINC000852301742	FF	On-Demand	Anodyne	GPR119	29	43
Cc1nc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n[nH]1	ZINC000852301744	FF	On-Demand	Anodyne	GPR119	29	43
Cc1noc(C)c1CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301752	GI	On-Demand	Anodyne	GPR119	31	42
Cc1noc(C)c1CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301754	GI	On-Demand	Anodyne	GPR119	31	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nccc(N)n3)C2)CC1	ZINC000852301760	GF	On-Demand	Anodyne	GPR119	47	48
Cc1oc(-c2ccccc2)nc1CN1CCC2=C(CCC(=O)N2)C1	ZINC000852301761	DG	On-Demand	Anodyne	PPARG	66	39
Cc1oc(-c2ccccc2)nc1CN1CCC2=C(CCC(=O)N2)C1	ZINC000852301761	DG	On-Demand	Anodyne	PPARA	68	39
Cc1oc(-c2ccccc2)nc1CN1CCC2=C(CCC(=O)N2)C1	ZINC000852301761	DG	On-Demand	Anodyne	PDE8B	71	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nccc(N)n3)C2)CC1	ZINC000852301762	GF	On-Demand	Anodyne	GPR119	47	48
CCn1ncnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301772	GG	On-Demand	Anodyne	GPR119	44	48
CCn1ncnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301774	GG	On-Demand	Anodyne	GPR119	44	48
COc1cc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)on1	ZINC000852301776	GH	On-Demand	Anodyne	GPR119	44	44
COc1cc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)on1	ZINC000852301778	GH	On-Demand	Anodyne	GPR119	44	44
Cc1nn(C)cc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301780	GH	On-Demand	Anodyne	GPR119	37	44
Cc1nn(C)cc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301782	GH	On-Demand	Anodyne	GPR119	37	44
Cn1cnnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301790	FF	On-Demand	Anodyne	GPR119	44	45
Cn1cnnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301791	FF	On-Demand	Anodyne	GPR119	44	45
Cc1nccc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852301792	FH	On-Demand	Anodyne	GPR119	52	49
Cc1nccc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852301793	FH	On-Demand	Anodyne	GPR119	52	49
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CNC(=O)C3)C2)CC1	ZINC000852301794	FE	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CNC(=O)C3)C2)CC1	ZINC000852301795	FE	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3CNC(=O)C3)C2)CC1	ZINC000852301796	FE	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H]3CNC(=O)C3)C2)CC1	ZINC000852301797	FE	On-Demand	Anodyne	GPR119	26	44
COC[C@@H](CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)OC	ZINC000852301799	FG	On-Demand	Anodyne	GPR119	24	41
COC[C@@H](CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)OC	ZINC000852301801	FG	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCN3C(=O)CCC3=O)C2)CC1	ZINC000852301802	GE	On-Demand	Anodyne	GPR119	30	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCN3C(=O)CCC3=O)C2)CC1	ZINC000852301803	GE	On-Demand	Anodyne	GPR119	30	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H]3CCOC3)C2)CC1	ZINC000852301810	FG	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CCOC3)C2)CC1	ZINC000852301811	FG	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CCOC3)C2)CC1	ZINC000852301812	FG	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3CCOC3)C2)CC1	ZINC000852301813	FG	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCn3ccnc3)C2)CC1	ZINC000852301814	FG	On-Demand	Anodyne	GPR119	33	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCn3ccnc3)C2)CC1	ZINC000852301815	FG	On-Demand	Anodyne	GPR119	33	46
C[C@H](c1nccc(N)n1)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301826	GG	On-Demand	Anodyne	GPR119	46	49
C[C@H](c1nccc(N)n1)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301828	GG	On-Demand	Anodyne	GPR119	46	49
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cnc[nH]3)C2)CC1	ZINC000852301831	EG	On-Demand	Anodyne	GPR119	44	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cnc[nH]3)C2)CC1	ZINC000852301832	EG	On-Demand	Anodyne	GPR119	44	47
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3csnn3)C2)CC1	ZINC000852301835	FG	On-Demand	Anodyne	GPR119	39	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3csnn3)C2)CC1	ZINC000852301836	FG	On-Demand	Anodyne	GPR119	39	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3CCC(=O)N3)C2)CC1	ZINC000852301838	FF	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CCC(=O)N3)C2)CC1	ZINC000852301839	FF	On-Demand	Anodyne	GPR119	28	43
Cc1cc(O)nc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852301844	GG	On-Demand	Anodyne	GPR119	38	48
Cc1cc(O)nc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852301845	GG	On-Demand	Anodyne	GPR119	38	48
Cn1nccc1CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301848	GG	On-Demand	Anodyne	GPR119	48	47
Cn1nccc1CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852301849	GG	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC[C@H]3CCNC3=O)C2)CC1	ZINC000852301850	GF	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC[C@H]3CCNC3=O)C2)CC1	ZINC000852301851	GF	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC[C@@H]3CCNC3=O)C2)CC1	ZINC000852301852	GF	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC[C@@H]3CCNC3=O)C2)CC1	ZINC000852301853	GF	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3cncs3)C2)CC1	ZINC000852301856	GI	On-Demand	Anodyne	GPR119	39	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3cncs3)C2)CC1	ZINC000852301857	GI	On-Demand	Anodyne	GPR119	39	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccncc3C#N)C2)CC1	ZINC000852301870	GH	On-Demand	Mild	GPR119	59	54
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccncc3C#N)C2)CC1	ZINC000852301871	GH	On-Demand	Mild	GPR119	59	54
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCN3CCOCC3)C2)CC1	ZINC000852301872	GG	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCN3CCOCC3)C2)CC1	ZINC000852301873	GG	On-Demand	Anodyne	GPR119	27	44
NS(=O)(=O)c1cccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852301898	FC	On-Demand	Anodyne	CA2	23	48
NS(=O)(=O)c1cccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852301898	FC	On-Demand	Anodyne	CA1	18	43
NS(=O)(=O)c1cccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852301898	FC	On-Demand	Anodyne	CA4	23	48
NS(=O)(=O)c1cccc(NC(=O)CN2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852301898	FC	On-Demand	Anodyne	CA9	15	43
O=C1CCC2=C(CCN(CC(=O)Nc3ccccc3N3CCCC3=O)C2)N1	ZINC000852301930	FD	On-Demand	Anodyne	KCNQ2	47	38
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852301931	ED	On-Demand	Anodyne	DRD4	31	56
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852301931	ED	On-Demand	Anodyne	TPP2	54	33
CCCCCNC(=O)CN1CCC2=C(CCC(=O)N2)C1	ZINC000852301942	CD	On-Demand	Anodyne	ASAH1	74	33
O=C1CCC2=C(CCN(CCOc3cccc(Cl)c3)C2)N1	ZINC000852301960	DF	On-Demand	Anodyne	DRD2	18	43
COC(=O)c1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852302002	FD	On-Demand	Anodyne	ACOX1	48	31
COC(=O)c1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852302003	FD	On-Demand	Anodyne	ACOX1	48	31
O=C1CCC2=C(CCN(CCOc3ccc(Br)cc3)C2)N1	ZINC000852302041	FF	On-Demand	Anodyne	LTA4H	34	47
O=C1CCC2=C(CCN(C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852302042	GG	On-Demand	Anodyne	ABCB1	60	41
O=C1CCC2=C(CCN(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)N1	ZINC000852302043	GG	On-Demand	Anodyne	ABCB1	60	41
CC(=O)c1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852302056	ED	On-Demand	Anodyne	ACOX1	43	31
CC(=O)c1ccc(OC[C@@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852302056	ED	On-Demand	Anodyne	ABCB1	40	41
CC(=O)c1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852302057	ED	On-Demand	Anodyne	ACOX1	43	31
CC(=O)c1ccc(OC[C@H](O)CN2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852302057	ED	On-Demand	Anodyne	ABCB1	40	41
N#Cc1c(NC(=O)CCN2CCC3=C(CCC(=O)N3)C2)sc2c1CCCCC2	ZINC000852302065	GG	On-Demand	Mild	VIPR1	30	48
O=C1CCC2=C(CCN(C[C@H](O)COC(c3ccccc3)c3ccccc3)C2)N1	ZINC000852302066	GG	On-Demand	Anodyne	SLC6A3	24	40
O=C1CCC2=C(CCN(C[C@@H](O)COC(c3ccccc3)c3ccccc3)C2)N1	ZINC000852302067	GG	On-Demand	Anodyne	SLC6A3	24	40
CN(CCCC(=O)N1CCC(NC(=O)NCCF)CC1)C(=O)OC(C)(C)C	ZINC000852302118	GD	On-Demand	Anodyne	EPHX2	22	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852302119	FH	On-Demand	Clean	SIGMAR1	25	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852302119	FH	On-Demand	Clean	SLC18A3	40	36
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852302119	FH	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852302119	FH	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852302119	FH	On-Demand	Clean	EPHX2	28	51
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852302119	FH	On-Demand	Clean	MCHR1	17	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852302119	FH	On-Demand	Clean	NPBWR1	41	31
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852302128	JD	On-Demand	Bother	DRD4	25	41
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852302128	JD	On-Demand	Bother	ACHE	24	58
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852302128	JD	On-Demand	Bother	SIGMAR1	27	54
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852302128	JD	On-Demand	Bother	MCHR1	19	41
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852302129	JD	On-Demand	Bother	DRD4	25	41
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852302129	JD	On-Demand	Bother	ACHE	24	58
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852302129	JD	On-Demand	Bother	SIGMAR1	27	54
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852302129	JD	On-Demand	Bother	MCHR1	19	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H](c2cccc(F)c2)C1	ZINC000852302199	GH	On-Demand	Clean	CCR3	42	37
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC000852302201	GE	On-Demand	Reactive	SLC6A3	15	44
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(N2CCOC2=O)CC1	ZINC000852302205	FF	On-Demand	Anodyne	EPHX2	27	54
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)NCCF)C1	ZINC000852302208	GG	On-Demand	Anodyne	CCR5	40	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)NCCF)C1	ZINC000852302208	GG	On-Demand	Anodyne	GPR119	33	49
O=C(N[C@H]1COC2(CCC2)C1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1	ZINC000852302219	EG	On-Demand	Anodyne	ENV	42	37
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852302223	FF	On-Demand	Anodyne	CCR2	48	38
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852302239	JI	On-Demand	Mild	EPHX2	41	36
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852302239	JI	On-Demand	Mild	MCHR1	18	41
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852302239	JI	On-Demand	Mild	TAAR1	27	40
O=C(NCc1ncccn1)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1	ZINC000852302245	ED	On-Demand	Anodyne	PREP	45	34
O=C(NCc1ncccn1)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1	ZINC000852302245	ED	On-Demand	Anodyne	EPHX2	22	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCCF)C1	ZINC000852302249	FG	On-Demand	Anodyne	EPHX2	23	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCCF)C1	ZINC000852302249	FG	On-Demand	Anodyne	GPR119	35	45
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1	ZINC000852302295	HH	On-Demand	Mild	NPY2R	43	34
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1	ZINC000852302295	HH	On-Demand	Mild	TAAR1	17	40
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@@H](c4ccc(C(F)(F)F)cc4)C3)C2)N1	ZINC000852302312	GH	On-Demand	Anodyne	TRPM8	52	36
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852302329	FF	On-Demand	Anodyne	EPHX2	20	40
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852302330	FF	On-Demand	Anodyne	EPHX2	20	40
O=C(NCc1ncccn1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC000852302336	DE	On-Demand	Anodyne	SLC6A3	17	40
O=C(NCc1ncccn1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC000852302336	DE	On-Demand	Anodyne	EPHX2	19	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@H]3CCOC3=O)C2)CC1	ZINC000852302370	FF	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@H]3CCOC3=O)C2)CC1	ZINC000852302371	FF	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@@H]3CCOC3=O)C2)CC1	ZINC000852302372	FF	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@@H]3CCOC3=O)C2)CC1	ZINC000852302373	FF	On-Demand	Anodyne	GPR119	26	44
COCCCNC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302374	GE	On-Demand	Anodyne	GPR119	22	41
COCCCNC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302375	GE	On-Demand	Anodyne	GPR119	22	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCCC#N)C2)CC1	ZINC000852302380	EI	On-Demand	Mild	GPR119	27	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCCC#N)C2)CC1	ZINC000852302381	EI	On-Demand	Mild	GPR119	27	42
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1C[C@H]1c1cccc(Cl)c1	ZINC000852302413	GE	On-Demand	Anodyne	MDM2	56	33
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC(N3CCOC3=O)CC2)c1	ZINC000852302422	FF	On-Demand	Anodyne	EPHX2	25	48
CNC(=O)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302428	FE	On-Demand	Anodyne	GPR119	25	43
CNC(=O)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302430	FE	On-Demand	Anodyne	GPR119	25	43
CCNC(=O)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302432	FF	On-Demand	Anodyne	GPR119	27	42
CCNC(=O)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302434	FF	On-Demand	Anodyne	GPR119	27	42
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852302436	GG	On-Demand	Anodyne	PDS	72	36
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852302437	GG	On-Demand	Anodyne	PDS	72	36
O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852302443	FF	On-Demand	Anodyne	EPHX2	22	44
O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852302444	FF	On-Demand	Anodyne	EPHX2	22	44
CN1CC[C@H](N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852302478	FF	On-Demand	Anodyne	GPR119	32	45
CN1CC[C@H](N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O	ZINC000852302480	FF	On-Demand	Anodyne	GPR119	32	45
Cc1nnc([C@@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852302487	GH	On-Demand	Anodyne	GPR119	25	43
Cc1nnc([C@@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852302489	GH	On-Demand	Anodyne	GPR119	25	43
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)N1	ZINC000852302508	EF	On-Demand	Anodyne	EPHX2	19	47
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)N1	ZINC000852302508	EF	On-Demand	Anodyne	MDM2	50	30
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCn2ncc(Br)c2C1	ZINC000852302529	GG	On-Demand	Anodyne	EPHX2	19	46
C[C@H](NC(=O)[C@@H](C)ONC(=N)c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000852302531	GI	On-Demand	Anodyne	PTGER4	22	41
C[C@H](NC(=O)[C@@H](C)ONC(=N)c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000852302531	GI	On-Demand	Anodyne	F7	19	40
C[C@H](NC(=O)[C@@H](C)ONC(=N)c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000852302531	GI	On-Demand	Anodyne	UTS2	41	31
C[C@@H](ONC(=N)c1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852302533	GI	On-Demand	Anodyne	PTGER4	22	41
C[C@@H](ONC(=N)c1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852302533	GI	On-Demand	Anodyne	F7	19	40
C[C@@H](ONC(=N)c1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852302533	GI	On-Demand	Anodyne	UTS2	41	31
C[C@@H](ONC(=N)c1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OCCCO2	ZINC000852302535	GG	On-Demand	Anodyne	IMDH_CRYPV	42	39
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)CC1	ZINC000852302539	GH	On-Demand	Anodyne	GPR119	25	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)CC1	ZINC000852302541	GH	On-Demand	Anodyne	GPR119	25	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCC(=O)NC(N)=O)C2)CC1	ZINC000852302564	GE	On-Demand	Anodyne	GPR119	22	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCC(=O)NC(N)=O)C2)CC1	ZINC000852302567	GE	On-Demand	Anodyne	GPR119	22	42
C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852302587	DG	On-Demand	Mild	G2YM83_BOTF4	64	33
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852302588	DG	On-Demand	Mild	G2YM83_BOTF4	64	33
C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852302589	DG	On-Demand	Mild	G2YM83_BOTF4	64	33
C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852302590	DG	On-Demand	Mild	G2YM83_BOTF4	64	33
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCN3C(=O)CNC3=O)C2)CC1	ZINC000852302591	GD	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCN3C(=O)CNC3=O)C2)CC1	ZINC000852302593	GD	On-Demand	Anodyne	GPR119	26	44
O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N1CCC(N2CCOC2=O)CC1	ZINC000852302595	GF	On-Demand	Anodyne	EPHX2	19	43
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2COC3(CCC3)C2)c1	ZINC000852302604	EF	On-Demand	Anodyne	EPHX2	18	40
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC000852302605	EE	On-Demand	Anodyne	SLC6A3	20	40
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N[C@H]2COC3(CCC3)C2)c1	ZINC000852302606	EF	On-Demand	Anodyne	EPHX2	18	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nc(N)nc(N)n3)C2)CC1	ZINC000852302608	GD	On-Demand	Anodyne	GPR119	33	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nc(N)nc(N)n3)C2)CC1	ZINC000852302610	GD	On-Demand	Anodyne	GPR119	33	45
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852302618	GF	On-Demand	Anodyne	EPHX2	24	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1	ZINC000852302622	GH	On-Demand	Anodyne	GPR119	22	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1	ZINC000852302622	GH	On-Demand	Anodyne	ETHR	50	34
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1	ZINC000852302624	GH	On-Demand	Anodyne	GPR119	22	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1	ZINC000852302624	GH	On-Demand	Anodyne	ETHR	50	34
N=C(NOCc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1	ZINC000852302626	EH	On-Demand	Anodyne	AMP1_PLAFQ	47	36
COCCN(CCF)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC000852302634	DF	On-Demand	Anodyne	SLC6A3	19	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)O1	ZINC000852302651	FD	On-Demand	Reactive	SLC6A3	25	41
CCNC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302652	FE	On-Demand	Anodyne	GPR119	27	45
CCNC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302654	FE	On-Demand	Anodyne	GPR119	27	45
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)O1	ZINC000852302657	FD	On-Demand	Reactive	SLC6A3	25	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCS(C)(=O)=O)C2)CC1	ZINC000852302662	GF	On-Demand	Anodyne	GPR119	40	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCS(C)(=O)=O)C2)CC1	ZINC000852302664	GF	On-Demand	Anodyne	GPR119	40	46
CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302666	CG	On-Demand	Anodyne	GPR119	35	48
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852302669	EE	On-Demand	Anodyne	EPHX2	22	51
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NCc2ncccn2)c1	ZINC000852302670	DE	On-Demand	Anodyne	PDS	41	33
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852302671	FF	On-Demand	Anodyne	EPHX2	26	48
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852302672	EE	On-Demand	Anodyne	EPHX2	22	51
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCN3CCCC3=O)C2)CC1	ZINC000852302674	GF	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCN3CCCC3=O)C2)CC1	ZINC000852302675	GF	On-Demand	Anodyne	GPR119	32	44
Cn1cc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1	ZINC000852302678	FG	On-Demand	Anodyne	GPR119	49	46
Cn1cc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1	ZINC000852302680	FG	On-Demand	Anodyne	GPR119	49	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cscn3)C2)CC1	ZINC000852302696	FI	On-Demand	Anodyne	GPR119	47	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cscn3)C2)CC1	ZINC000852302697	FI	On-Demand	Anodyne	GPR119	47	47
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCF)C2)CC1	ZINC000852302701	EH	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCF)C2)CC1	ZINC000852302702	EH	On-Demand	Anodyne	GPR119	29	44
COC(=O)CNC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302707	GD	On-Demand	Anodyne	GPR119	27	44
COC(=O)CNC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302708	GD	On-Demand	Anodyne	GPR119	27	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(F)c4)C3)C2)cc1	ZINC000852302718	GH	On-Demand	Clean	CCR3	35	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(F)c4)C3)C2)cc1	ZINC000852302718	GH	On-Demand	Clean	CCR5	50	34
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(F)c4)C3)C2)cc1	ZINC000852302718	GH	On-Demand	Clean	MTNR1A	18	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(F)c4)C3)C2)cc1	ZINC000852302718	GH	On-Demand	Clean	MTNR1B	17	49
O=C(NCCC1SCCS1)N[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852302721	GI	On-Demand	Anodyne	CCR2	44	36
COC(=O)[C@@H](C)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302726	FF	On-Demand	Anodyne	GPR119	25	44
COC(=O)[C@@H](C)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302731	FF	On-Demand	Anodyne	GPR119	25	44
CC(C)(C#N)CCCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302734	GJ	On-Demand	Mild	GPR119	23	41
CC(C)(C#N)CCCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302735	GJ	On-Demand	Mild	GPR119	23	41
CC(C)(C)NC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302736	GG	On-Demand	Anodyne	GPR119	28	46
CC(C)(C)NC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302738	GG	On-Demand	Anodyne	GPR119	28	46
C=CC[C@@H]1CCCC[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852302740	DE	On-Demand	Mild	AMY2	43	29
C=CC[C@@H]1CCCC[C@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852302742	DE	On-Demand	Mild	AMY2	43	29
C=CC[C@@H]1CCCC[C@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852302744	DE	On-Demand	Mild	AMY2	43	29
C=CC[C@@H]1CCCC[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852302746	DE	On-Demand	Mild	AMY2	43	29
O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852302747	EE	On-Demand	Anodyne	EPHX2	26	52
O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852302748	EE	On-Demand	Anodyne	EPHX2	26	52
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCN3CCCC3=O)C2)CC1	ZINC000852302749	GG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCN3CCCC3=O)C2)CC1	ZINC000852302751	GG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccccn3)C2)CC1	ZINC000852302762	FH	On-Demand	Anodyne	GPR119	54	60
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccccn3)C2)CC1	ZINC000852302763	FH	On-Demand	Anodyne	GPR119	54	60
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](O)Cn3cccn3)C2)CC1	ZINC000852302765	GF	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](O)Cn3cccn3)C2)CC1	ZINC000852302767	GF	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](O)Cn3cccn3)C2)CC1	ZINC000852302770	GF	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H](O)Cn3cccn3)C2)CC1	ZINC000852302772	GF	On-Demand	Anodyne	GPR119	27	46
C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852302775	GG	On-Demand	Mild	F13A1	43	34
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852302777	GG	On-Demand	Mild	F13A1	43	34
C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852302779	GG	On-Demand	Mild	F13A1	43	34
C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852302783	GG	On-Demand	Mild	F13A1	43	34
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852302791	FG	On-Demand	Mild	TPSAB1	17	43
C=CC[C@H]1CCCC[C@H]1NCC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852302793	FG	On-Demand	Mild	TPSAB1	17	43
C=CC[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852302795	FG	On-Demand	Mild	TPSAB1	17	43
C=CC[C@H]1CCCC[C@@H]1NCC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852302797	FG	On-Demand	Mild	TPSAB1	17	43
CC[C@H](NC(=O)CONC(=N)c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000852302806	GI	On-Demand	Anodyne	UTS2	48	38
CC[C@@H](NC(=O)CONC(=N)c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000852302808	GI	On-Demand	Anodyne	UTS2	48	38
O=C(NCc1ncccn1)N[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852302837	FG	On-Demand	Anodyne	TRPM8	42	38
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)CC1	ZINC000852302840	GH	On-Demand	Anodyne	GPR119	23	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)CC1	ZINC000852302842	GH	On-Demand	Anodyne	GPR119	23	41
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](c3ccccc3)C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852302845	GG	On-Demand	Anodyne	EPHX2	32	41
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](c3ccccc3)C2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852302845	GG	On-Demand	Anodyne	RBP4	66	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccccc4F)C3)C2)cc1	ZINC000852302850	GH	On-Demand	Clean	MTNR1B	15	45
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC(N2CCOC2=O)CC1	ZINC000852302851	FE	On-Demand	Anodyne	EPHX2	21	42
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852302863	FE	On-Demand	Anodyne	EPHX2	48	55
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCC(=O)NC(N)=O)C2)CC1	ZINC000852302866	GD	On-Demand	Anodyne	GPR119	25	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCC(=O)NC(N)=O)C2)CC1	ZINC000852302868	GD	On-Demand	Anodyne	GPR119	25	44
O=C(NCCC1SCCS1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC000852302871	FI	On-Demand	Anodyne	SLC6A3	21	44
Cn1cncc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302875	FG	On-Demand	Anodyne	GPR119	43	47
Cn1cncc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302877	FG	On-Demand	Anodyne	GPR119	43	47
CC(C)c1nnc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852302885	GI	On-Demand	Anodyne	GPR119	25	41
CC(C)c1nnc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852302887	GI	On-Demand	Anodyne	GPR119	25	41
O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852302888	GE	On-Demand	Anodyne	EPHX2	16	41
O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852302889	GF	On-Demand	Anodyne	EPHX2	20	41
O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852302890	GE	On-Demand	Anodyne	EPHX2	16	41
O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852302891	GF	On-Demand	Anodyne	EPHX2	20	41
CCc1cnc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852302893	GI	On-Demand	Anodyne	GPR119	43	45
CCc1cnc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852302895	GI	On-Demand	Anodyne	GPR119	43	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CCCO3)C2)CC1	ZINC000852302912	FH	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CCCO3)C2)CC1	ZINC000852302913	FH	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3CCCO3)C2)CC1	ZINC000852302914	FH	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H]3CCCO3)C2)CC1	ZINC000852302915	FH	On-Demand	Anodyne	GPR119	26	42
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852302916	FE	On-Demand	Anodyne	EPHX2	53	54
C=CCNC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302939	FF	On-Demand	Mild	GPR119	21	42
C=CCNC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302940	FF	On-Demand	Mild	GPR119	21	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCO)C2)CC1	ZINC000852302954	EF	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCO)C2)CC1	ZINC000852302955	EF	On-Demand	Anodyne	GPR119	28	44
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(N2CCOC2=O)CC1	ZINC000852302956	GF	On-Demand	Anodyne	EPHX2	21	42
C#CCNC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302957	FE	On-Demand	Mild	GPR119	26	44
C#CCNC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852302958	FE	On-Demand	Mild	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC#N)C2)CC1	ZINC000852302959	DF	On-Demand	Mild	GPR119	30	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC#N)C2)CC1	ZINC000852302960	DF	On-Demand	Mild	GPR119	30	45
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@H](N2CCOC2=O)C1	ZINC000852302972	GG	On-Demand	Anodyne	EPHX2	23	41
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852302974	GG	On-Demand	Anodyne	EPHX2	23	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cn4cccnc4n3)C2)CC1	ZINC000852302977	GH	On-Demand	Anodyne	GPR119	32	50
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cn4cccnc4n3)C2)CC1	ZINC000852302979	GH	On-Demand	Anodyne	GPR119	32	50
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCN3CCOC3=O)C2)CC1	ZINC000852302986	GG	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCN3CCOC3=O)C2)CC1	ZINC000852302988	GG	On-Demand	Anodyne	GPR119	26	40
Cc1nc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)no1	ZINC000852302993	FG	On-Demand	Anodyne	GPR119	30	43
Cc1nc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)no1	ZINC000852302995	FG	On-Demand	Anodyne	GPR119	30	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](O)CN3CCCC3)C2)CC1	ZINC000852303017	GF	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H](O)CN3CCCC3)C2)CC1	ZINC000852303019	GF	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](O)CN3CCCC3)C2)CC1	ZINC000852303021	GF	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](O)CN3CCCC3)C2)CC1	ZINC000852303023	GF	On-Demand	Anodyne	GPR119	27	44
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1	ZINC000852303031	II	On-Demand	Mild	SERPINE1	29	42
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1	ZINC000852303031	II	On-Demand	Mild	TAAR1	34	45
Cn1ncnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303047	FF	On-Demand	Anodyne	GPR119	47	47
Cn1ncnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303049	FF	On-Demand	Anodyne	GPR119	47	47
O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCn2ncc(Br)c2C1	ZINC000852303051	GG	On-Demand	Anodyne	EPHX2	20	48
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cccnc3)C2)CC1	ZINC000852303053	FH	On-Demand	Anodyne	GRIN2B	17	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cccnc3)C2)CC1	ZINC000852303053	FH	On-Demand	Anodyne	CHRNA7	45	37
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cccnc3)C2)CC1	ZINC000852303053	FH	On-Demand	Anodyne	GPR119	52	51
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cccnc3)C2)CC1	ZINC000852303056	FH	On-Demand	Anodyne	GRIN2B	17	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cccnc3)C2)CC1	ZINC000852303056	FH	On-Demand	Anodyne	CHRNA7	45	37
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cccnc3)C2)CC1	ZINC000852303056	FH	On-Demand	Anodyne	GPR119	52	51
CC(=O)c1cccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000852303059	HG	On-Demand	Mild	TAAR1	42	51
Cc1ccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C	ZINC000852303062	GH	On-Demand	Mild	TAAR1	17	44
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)NCCF)C1	ZINC000852303068	GG	On-Demand	Anodyne	GPR119	37	45
N=C(NOCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1	ZINC000852303082	HG	On-Demand	Anodyne	GRIN2B	23	52
N=C(NOCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1	ZINC000852303082	HG	On-Demand	Anodyne	CSNK1D	15	44
N=C(NOCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1	ZINC000852303082	HG	On-Demand	Anodyne	PDS	57	38
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H](C#N)CCC#N)C2)CC1	ZINC000852303116	FH	On-Demand	Mild	GPR119	19	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H](C#N)CCC#N)C2)CC1	ZINC000852303117	FH	On-Demand	Mild	GPR119	19	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H](C#N)CCC#N)C2)CC1	ZINC000852303118	FH	On-Demand	Mild	GPR119	19	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H](C#N)CCC#N)C2)CC1	ZINC000852303119	FH	On-Demand	Mild	GPR119	19	40
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852303121	GG	On-Demand	Anodyne	EPHX2	21	42
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852303122	GG	On-Demand	Anodyne	EPHX2	21	42
O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852303128	FF	On-Demand	Anodyne	EPHX2	30	55
O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852303128	FF	On-Demand	Anodyne	MDM2	41	32
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCS(N)(=O)=O)C2)CC1	ZINC000852303188	GE	On-Demand	Anodyne	GPR119	35	43
O=C(NCc1ncccn1)N[C@@H]1C[C@@H](c2ccccc2)C1	ZINC000852303189	CE	On-Demand	Anodyne	EPHX2	20	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCS(N)(=O)=O)C2)CC1	ZINC000852303190	GE	On-Demand	Anodyne	GPR119	35	43
COc1ccc(N2CC[C@H](NC(=O)NCCF)C2)cc1	ZINC000852303215	CD	On-Demand	Clean	MTNR1A	26	49
COc1ccc(N2CC[C@H](NC(=O)NCCF)C2)cc1	ZINC000852303215	CD	On-Demand	Clean	MTNR1B	18	49
COc1ccc(N2CC[C@H](NC(=O)NCCF)C2)cc1	ZINC000852303215	CD	On-Demand	Clean	MCHR1	16	49
COC[C@H](C)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303222	EG	On-Demand	Anodyne	GPR119	25	43
COC[C@@H](C)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303223	EG	On-Demand	Anodyne	GPR119	25	43
COC[C@H](C)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303224	EG	On-Demand	Anodyne	GPR119	25	43
COC[C@@H](C)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303225	EG	On-Demand	Anodyne	GPR119	25	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCNS(C)(=O)=O)C2)CC1	ZINC000852303227	GD	On-Demand	Anodyne	GPR119	39	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCNS(C)(=O)=O)C2)CC1	ZINC000852303228	GD	On-Demand	Anodyne	GPR119	39	45
C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852303230	FG	On-Demand	Mild	STAT6	54	33
C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852303231	FG	On-Demand	Mild	STAT6	54	33
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852303234	FG	On-Demand	Mild	STAT6	54	33
C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852303236	FG	On-Demand	Mild	STAT6	54	33
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@@H]3CCCOC3)C2)CC1	ZINC000852303238	FH	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@H]3CCCOC3)C2)CC1	ZINC000852303240	FH	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C[C@H]3CCCOC3)C2)CC1	ZINC000852303242	FH	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C[C@@H]3CCCOC3)C2)CC1	ZINC000852303244	FH	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)N3CCNC3=O)C2)CC1	ZINC000852303252	GD	On-Demand	Anodyne	GPR119	28	43
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)N3CCNC3=O)C2)CC1	ZINC000852303254	GD	On-Demand	Anodyne	GPR119	28	43
O=C(NCC1SCCS1)N[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852303275	GI	On-Demand	Anodyne	CCR2	51	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H](c2ccccc2)C1	ZINC000852303283	GG	On-Demand	Clean	SLC18A3	43	33
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H](c2ccccc2)C1	ZINC000852303283	GG	On-Demand	Clean	EPHX2	23	50
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H](c2ccccc2)C1	ZINC000852303283	GG	On-Demand	Clean	SLC12A5	60	32
C#C[C@@H](NC(=O)N[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)C1)C1CCOCC1	ZINC000852303306	GH	On-Demand	Mild	CCR2	22	43
C#C[C@H](NC(=O)N[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)C1)C1CCOCC1	ZINC000852303307	GH	On-Demand	Mild	CCR2	22	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC000852303312	GH	On-Demand	Clean	SLC6A3	24	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	ZINC000852303312	GH	On-Demand	Clean	EPHX2	18	50
COCCN(CCF)C(=O)N[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852303316	FH	On-Demand	Anodyne	CCR2	54	39
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)N1	ZINC000852303325	EF	On-Demand	Anodyne	EPHX2	19	47
O=C(NCc1ncccn1)N[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852303332	FG	On-Demand	Anodyne	CCR2	74	39
O=C(NCc1ncccn1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	ZINC000852303338	DE	On-Demand	Anodyne	EPHX2	18	41
O=C(NCc1ncccn1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	ZINC000852303338	DE	On-Demand	Anodyne	MDM2	51	33
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852303339	GF	On-Demand	Anodyne	PDS	45	33
CCOc1cccc([C@@H]2C[C@H]2NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852303343	GF	On-Demand	Anodyne	PDS	45	33
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@H]3CCNC3=O)C2)CC1	ZINC000852303345	FE	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@H]3CCNC3=O)C2)CC1	ZINC000852303348	FE	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN([C@@H]3CCNC3=O)C2)CC1	ZINC000852303349	FE	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN([C@@H]3CCNC3=O)C2)CC1	ZINC000852303350	FE	On-Demand	Anodyne	GPR119	27	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCN3CCOCC3)C2)CC1	ZINC000852303351	GF	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCN3CCOCC3)C2)CC1	ZINC000852303352	GF	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3(CO)COC3)C2)CC1	ZINC000852303353	FE	On-Demand	Anodyne	GPR119	21	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3(CO)COC3)C2)CC1	ZINC000852303354	FE	On-Demand	Anodyne	GPR119	21	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCCCO)C2)CC1	ZINC000852303356	FH	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCCCO)C2)CC1	ZINC000852303357	FH	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCS(C)(=O)=O)C2)CC1	ZINC000852303358	FE	On-Demand	Anodyne	GPR119	42	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCS(C)(=O)=O)C2)CC1	ZINC000852303359	FE	On-Demand	Anodyne	GPR119	42	47
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCO)C2)CC1	ZINC000852303377	DE	On-Demand	Anodyne	GPR119	30	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCO)C2)CC1	ZINC000852303378	DE	On-Demand	Anodyne	GPR119	30	46
CCN(C)C(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303379	FF	On-Demand	Anodyne	GPR119	27	42
CCN(C)C(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303380	FF	On-Demand	Anodyne	GPR119	27	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCN3CCOC3=O)C2)CC1	ZINC000852303396	GF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCN3CCOC3=O)C2)CC1	ZINC000852303397	GF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)NC(N)=O)C2)CC1	ZINC000852303398	FD	On-Demand	Anodyne	GPR119	26	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)NC(N)=O)C2)CC1	ZINC000852303399	FD	On-Demand	Anodyne	GPR119	26	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCCO)C2)CC1	ZINC000852303400	EG	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCCO)C2)CC1	ZINC000852303401	EG	On-Demand	Anodyne	GPR119	28	44
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852303402	FF	On-Demand	Anodyne	EPHX2	21	41
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3ccc4ccccc4c3)C2)N1	ZINC000852303403	FG	On-Demand	Anodyne	EPHX2	20	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3ccccn3)C2)CC1	ZINC000852303404	FH	On-Demand	Anodyne	SLC6A1	50	32
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3ccccn3)C2)CC1	ZINC000852303404	FH	On-Demand	Anodyne	BIRC2	25	50
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCc3ccccn3)C2)CC1	ZINC000852303404	FH	On-Demand	Anodyne	GPR119	50	58
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3ccccn3)C2)CC1	ZINC000852303405	FH	On-Demand	Anodyne	SLC6A1	50	32
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3ccccn3)C2)CC1	ZINC000852303405	FH	On-Demand	Anodyne	BIRC2	25	50
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCc3ccccn3)C2)CC1	ZINC000852303405	FH	On-Demand	Anodyne	GPR119	50	58
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ccncc3)C2)CC1	ZINC000852303412	FH	On-Demand	Anodyne	GPR119	56	53
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ccncc3)C2)CC1	ZINC000852303413	FH	On-Demand	Anodyne	GPR119	56	53
C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(OC(C)=O)cc1	ZINC000852303418	CH	On-Demand	Mild	SSTR3	19	43
C=CC[C@H]1CCCC[C@H]1NCc1ccc(OC(C)=O)cc1	ZINC000852303419	CH	On-Demand	Mild	SSTR3	19	43
C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OC(C)=O)cc1	ZINC000852303420	CH	On-Demand	Mild	SSTR3	19	43
C=CC[C@H]1CCCC[C@@H]1NCc1ccc(OC(C)=O)cc1	ZINC000852303421	CH	On-Demand	Mild	SSTR3	19	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cc(=O)c(O)co3)C2)CC1	ZINC000852303422	GG	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cc(=O)c(O)co3)C2)CC1	ZINC000852303423	GG	On-Demand	Anodyne	GPR119	28	41
CC(C)n1nnnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303432	GG	On-Demand	Anodyne	GPR119	24	42
CC(C)n1nnnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303433	GG	On-Demand	Anodyne	GPR119	24	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(N)=O)C2)CC1	ZINC000852303434	ED	On-Demand	Anodyne	GPR119	31	48
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(N)=O)C2)CC1	ZINC000852303435	ED	On-Demand	Anodyne	GPR119	31	48
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCS(N)(=O)=O)C2)CC1	ZINC000852303445	GD	On-Demand	Anodyne	GPR119	41	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCS(N)(=O)=O)C2)CC1	ZINC000852303446	GD	On-Demand	Anodyne	GPR119	41	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)Nc3ccon3)C2)CC1	ZINC000852303447	GF	On-Demand	Anodyne	GPR119	45	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)Nc3ccon3)C2)CC1	ZINC000852303448	GF	On-Demand	Anodyne	GPR119	45	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC[C@@H]3CCOC3=O)C2)CC1	ZINC000852303449	GG	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC[C@@H]3CCOC3=O)C2)CC1	ZINC000852303450	GG	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC[C@H]3CCOC3=O)C2)CC1	ZINC000852303451	GG	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC[C@H]3CCOC3=O)C2)CC1	ZINC000852303452	GG	On-Demand	Anodyne	GPR119	24	41
Cc1cnc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852303453	FH	On-Demand	Anodyne	GPR119	49	47
Cc1cnc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852303454	FH	On-Demand	Anodyne	GPR119	49	47
Cn1nnnc1CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303460	FE	On-Demand	Anodyne	GPR119	29	43
Cn1nnnc1CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303461	FE	On-Demand	Anodyne	GPR119	29	43
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852303466	FE	On-Demand	Anodyne	EPHX2	22	45
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852303467	FE	On-Demand	Anodyne	EPHX2	22	45
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1	ZINC000852303475	FF	On-Demand	Anodyne	EPHX2	18	41
O=C(NCc1ncccn1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	ZINC000852303480	EG	On-Demand	Anodyne	EPHX2	17	40
C=CC[C@H]1CCCC[C@H]1NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852303483	FH	On-Demand	Mild	STAT6	52	32
C=CC[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852303484	FH	On-Demand	Mild	STAT6	52	32
C=CC[C@H]1CCCC[C@@H]1NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852303485	FH	On-Demand	Mild	STAT6	52	32
C=CC[C@@H]1CCCC[C@H]1NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852303486	FH	On-Demand	Mild	STAT6	52	32
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N[C@H]2C=CCC2)c1	ZINC000852303487	CF	On-Demand	Anodyne	PDS	50	34
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2C=CCC2)c1	ZINC000852303488	CF	On-Demand	Anodyne	PDS	50	34
O=C1CCC2=C(CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)C2)N1	ZINC000852303494	GF	On-Demand	Anodyne	EPHX2	18	42
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000852303495	FF	On-Demand	Anodyne	SLC6A3	17	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCC#N)C2)CC1	ZINC000852303505	DG	On-Demand	Mild	GPR119	27	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCC#N)C2)CC1	ZINC000852303506	DG	On-Demand	Mild	GPR119	27	44
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2COC3(CCC3)C2)cc1	ZINC000852303514	EF	On-Demand	Anodyne	EPHX2	15	40
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2COC3(CCC3)C2)cc1	ZINC000852303515	EF	On-Demand	Anodyne	EPHX2	15	40
C=CC[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	ZINC000852303516	GE	On-Demand	Reactive	PDE4C	15	48
C=CC[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	ZINC000852303517	GE	On-Demand	Reactive	PDE4C	15	48
C=CC[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	ZINC000852303518	GE	On-Demand	Reactive	PDE4C	15	48
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	ZINC000852303519	GE	On-Demand	Reactive	PDE4C	15	48
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCN3CCCC3)C2)CC1	ZINC000852303524	FG	On-Demand	Anodyne	GPR119	32	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCN3CCCC3)C2)CC1	ZINC000852303525	FG	On-Demand	Anodyne	GPR119	32	47
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852303533	GG	On-Demand	Anodyne	EPHX2	25	45
CC(C)c1noc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852303538	GI	On-Demand	Anodyne	GPR119	22	41
CC(C)c1noc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852303539	GI	On-Demand	Anodyne	GPR119	22	41
CCOC[C@H](O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303553	FF	On-Demand	Anodyne	GPR119	23	41
CCOC[C@H](O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303555	FF	On-Demand	Anodyne	GPR119	23	41
C=CC[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	ZINC000852303565	EE	On-Demand	Reactive	SSTR3	28	47
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	ZINC000852303566	EE	On-Demand	Reactive	SSTR3	28	47
C=CC[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	ZINC000852303567	EE	On-Demand	Reactive	SSTR3	28	47
C=CC[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	ZINC000852303568	EE	On-Demand	Reactive	SSTR3	28	47
O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC(N2CCOC2=O)CC1	ZINC000852303569	GG	On-Demand	Anodyne	SLC6A3	19	40
O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC(N2CCOC2=O)CC1	ZINC000852303569	GG	On-Demand	Anodyne	EPHX2	26	48
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	ZINC000852303570	GH	On-Demand	Clean	EPHX2	23	49
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	ZINC000852303570	GH	On-Demand	Clean	MDM2	54	31
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cnc4ccnn4c3)C2)CC1	ZINC000852303571	GH	On-Demand	Anodyne	DDR1	40	37
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3cnc4ccnn4c3)C2)CC1	ZINC000852303571	GH	On-Demand	Anodyne	GPR119	45	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cnc4ccnn4c3)C2)CC1	ZINC000852303572	GH	On-Demand	Anodyne	DDR1	40	37
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3cnc4ccnn4c3)C2)CC1	ZINC000852303572	GH	On-Demand	Anodyne	GPR119	45	47
C#CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303578	DF	On-Demand	Mild	GPR119	30	46
C#CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303579	DF	On-Demand	Mild	GPR119	30	46
O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(N2CCOC2=O)CC1	ZINC000852303586	GG	On-Demand	Anodyne	EPHX2	26	43
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nnnn3C3CC3)C2)CC1	ZINC000852303587	GF	On-Demand	Anodyne	GPR119	24	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nnnn3C3CC3)C2)CC1	ZINC000852303588	GF	On-Demand	Anodyne	GPR119	24	42
CCc1noc([C@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852303593	GI	On-Demand	Anodyne	GPR119	23	42
CCc1noc([C@@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852303594	GI	On-Demand	Anodyne	GPR119	23	42
CCc1noc([C@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852303595	GI	On-Demand	Anodyne	GPR119	23	42
CCc1noc([C@@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)n1	ZINC000852303596	GI	On-Demand	Anodyne	GPR119	23	42
Cc1cnc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1	ZINC000852303597	FH	On-Demand	Anodyne	GPR119	49	48
Cc1cnc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1	ZINC000852303598	FH	On-Demand	Anodyne	GPR119	49	48
C[C@@H](C(=O)N(C)C)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303612	FF	On-Demand	Anodyne	GPR119	23	45
C[C@H](C(=O)N(C)C)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303613	FF	On-Demand	Anodyne	GPR119	23	45
C[C@@H](C(=O)N(C)C)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303614	FF	On-Demand	Anodyne	GPR119	23	45
C[C@H](C(=O)N(C)C)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303615	FF	On-Demand	Anodyne	GPR119	23	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCCCCCO)C2)CC1	ZINC000852303616	FH	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCCCCCO)C2)CC1	ZINC000852303617	FH	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)NC3CC3)C2)CC1	ZINC000852303624	FF	On-Demand	Anodyne	GPR119	28	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)NC3CC3)C2)CC1	ZINC000852303625	FF	On-Demand	Anodyne	GPR119	28	46
CCN(C)C(=O)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303631	GG	On-Demand	Anodyne	GPR119	23	42
CCN(C)C(=O)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303632	GG	On-Demand	Anodyne	GPR119	23	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3nccn3C(F)F)C2)CC1	ZINC000852303633	GI	On-Demand	Anodyne	GPR119	44	48
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3nccn3C(F)F)C2)CC1	ZINC000852303634	GI	On-Demand	Anodyne	GPR119	44	48
O=C(NCC1SCCS1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1	ZINC000852303643	EH	On-Demand	Anodyne	SLC6A3	21	40
CCOCCNC(=O)CN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303661	GE	On-Demand	Anodyne	GPR119	23	41
CCOCCNC(=O)CN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303662	GE	On-Demand	Anodyne	GPR119	23	41
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)N3CCCCC3)C2)CC1	ZINC000852303678	GG	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)CC1	ZINC000852303679	GG	On-Demand	Anodyne	GPR119	26	44
Cc1nc(CN2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)oc1C	ZINC000852303684	GI	On-Demand	Anodyne	GPR119	32	44
Cc1nc(CN2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)oc1C	ZINC000852303685	GI	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(Cc3ncc[nH]3)C2)CC1	ZINC000852303686	EG	On-Demand	Anodyne	GPR119	46	50
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(Cc3ncc[nH]3)C2)CC1	ZINC000852303687	EG	On-Demand	Anodyne	GPR119	46	50
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)CC1	ZINC000852303705	GE	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)N3CCOCC3)C2)CC1	ZINC000852303706	GE	On-Demand	Anodyne	GPR119	26	44
CC(=O)CCN1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303715	EG	On-Demand	Anodyne	GPR119	27	45
CC(=O)CCN1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303716	EG	On-Demand	Anodyne	GPR119	27	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CCC3OCCCO3)C2)CC1	ZINC000852303731	GG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CCC3OCCCO3)C2)CC1	ZINC000852303732	GG	On-Demand	Anodyne	GPR119	28	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)C2)cc1	ZINC000852303733	GG	On-Demand	Clean	EPHX2	16	48
CC[C@@H](C(N)=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303739	FF	On-Demand	Anodyne	GPR119	25	45
CC[C@@H](C(N)=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852303740	FF	On-Demand	Anodyne	GPR119	25	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)NCC#N)C2)CC1	ZINC000852303743	FD	On-Demand	Mild	GPR119	26	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)NCC#N)C2)CC1	ZINC000852303744	FD	On-Demand	Mild	GPR119	26	46
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2C=CCC2)cc1	ZINC000852303745	CF	On-Demand	Anodyne	EPHX2	15	41
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2C=CCC2)cc1	ZINC000852303746	CF	On-Demand	Anodyne	EPHX2	15	41
CCc1nnc([C@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852303760	GI	On-Demand	Anodyne	GPR119	24	41
CCc1nnc([C@@H](C)N2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852303761	GI	On-Demand	Anodyne	GPR119	24	41
CCc1nnc([C@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852303762	GI	On-Demand	Anodyne	GPR119	24	41
CCc1nnc([C@@H](C)N2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)o1	ZINC000852303763	GI	On-Demand	Anodyne	GPR119	24	41
C=CC[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852303764	EE	On-Demand	Reactive	KCNK3	50	36
C=CC[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852303764	EE	On-Demand	Reactive	KCNK9	41	36
C=CC[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852303765	EE	On-Demand	Reactive	KCNK3	50	36
C=CC[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852303765	EE	On-Demand	Reactive	KCNK9	41	36
C=CC[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852303766	EE	On-Demand	Reactive	KCNK3	50	36
C=CC[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852303766	EE	On-Demand	Reactive	KCNK9	41	36
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852303767	EE	On-Demand	Reactive	KCNK3	50	36
C=CC[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852303767	EE	On-Demand	Reactive	KCNK9	41	36
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852303770	FE	On-Demand	Anodyne	EPHX2	22	45
CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852303771	FE	On-Demand	Anodyne	EPHX2	22	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)N3CCC3)C2)CC1	ZINC000852303786	FF	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)N3CCC3)C2)CC1	ZINC000852303787	FF	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC(=O)NCCC#N)C2)CC1	ZINC000852303788	GE	On-Demand	Mild	GPR119	21	44
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC(=O)NCCC#N)C2)CC1	ZINC000852303789	GE	On-Demand	Mild	GPR119	21	44
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)C	ZINC000852303802	EG	On-Demand	Mild	TRPM8	28	53
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)C	ZINC000852303803	EG	On-Demand	Mild	TRPM8	28	53
C#C[C@H](NC(=O)NCc1ccc(C(=O)OC)cc1F)C(C)C	ZINC000852303854	DE	On-Demand	Mild	BDKRB1	25	42
C#C[C@@H](NC(=O)NCc1ccc(C(=O)OC)cc1F)C(C)C	ZINC000852303855	DE	On-Demand	Mild	BDKRB1	25	42
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc2ccccc2c1	ZINC000852303868	HI	On-Demand	Mild	TAAR1	23	45
C#C[C@H](NC(=O)NC[C@@](C)(COCc1ccccc1)OC)C(C)C	ZINC000852303877	EF	On-Demand	Mild	PAPA1_CARPA	57	36
C#C[C@@H](NC(=O)NC[C@](C)(COCc1ccccc1)OC)C(C)C	ZINC000852303878	EF	On-Demand	Mild	PAPA1_CARPA	57	36
C#C[C@@H](NC(=O)NC[C@@](C)(COCc1ccccc1)OC)C(C)C	ZINC000852303879	EF	On-Demand	Mild	PAPA1_CARPA	57	36
C#C[C@H](NC(=O)NC[C@](C)(COCc1ccccc1)OC)C(C)C	ZINC000852303880	EF	On-Demand	Mild	PAPA1_CARPA	57	36
C#C[C@@H](NC(=O)NCc1c(OC)cccc1OC)C(C)C	ZINC000852303983	CE	On-Demand	Mild	ANPEP	15	45
C#C[C@H](NC(=O)NCc1c(OC)cccc1OC)C(C)C	ZINC000852303984	CE	On-Demand	Mild	ANPEP	15	45
CC(C)c1ccccc1NC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000852303987	HI	On-Demand	Mild	KCNQ2	70	36
CC(C)c1ccccc1NC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000852303987	HI	On-Demand	Mild	TAAR1	15	42
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1	ZINC000852304002	FG	On-Demand	Mild	KCNQ2	61	35
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1	ZINC000852304002	FG	On-Demand	Mild	TAAR1	32	46
C#C[C@H](NC(=O)N1CC[C@H]2C[C@H]2C1)C(C)C	ZINC000852304040	BD	On-Demand	Mild	RBP4	17	40
C#C[C@H](NC(=O)N1CC[C@H]2C[C@@H]2C1)C(C)C	ZINC000852304041	BD	On-Demand	Mild	RBP4	17	40
C#C[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)C(C)C	ZINC000852304042	BD	On-Demand	Mild	RBP4	17	40
C#C[C@H](NC(=O)N1CC[C@@H]2C[C@H]2C1)C(C)C	ZINC000852304043	BD	On-Demand	Mild	RBP4	17	40
Cc1cccc(C(C)C)c1NC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000852304094	HJ	On-Demand	Mild	TAAR1	15	42
COc1ccccc1CONC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1	ZINC000852304136	FD	On-Demand	Anodyne	MBTPS1	54	35
COc1ccccc1CONC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1	ZINC000852304138	FD	On-Demand	Anodyne	MBTPS1	54	35
COc1ccccc1CONC(=O)NCC1(S(C)(=O)=O)CCCCC1	ZINC000852304141	FE	On-Demand	Anodyne	HCN1	53	38
COc1ccccc1CONC(=O)NCC1(S(C)(=O)=O)CCCCC1	ZINC000852304141	FE	On-Demand	Anodyne	HCN4	49	36
CN(Cc1ccc(CC#N)cc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852304166	EG	On-Demand	Mild	CTSB	15	44
CN(Cc1ccc(CC#N)cc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852304166	EG	On-Demand	Mild	PAPA1_CARPA	36	41
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F	ZINC000852304174	II	On-Demand	Mild	KCNQ2	69	39
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F	ZINC000852304174	II	On-Demand	Mild	TAAR1	29	40
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)C(C)C	ZINC000852304177	CE	On-Demand	Mild	DRD5	15	41
COc1ccccc1CONC(=O)N1CCC([C@H]2CCCCO2)CC1	ZINC000852304178	EG	On-Demand	Anodyne	MBTPS1	51	35
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)C(C)C	ZINC000852304179	CE	On-Demand	Mild	DRD5	15	41
COc1ccccc1CONC(=O)N1CCC([C@@H]2CCCCO2)CC1	ZINC000852304180	EG	On-Demand	Anodyne	MBTPS1	51	35
COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC(C)(C)NC(=O)OC(C)(C)C)c1	ZINC000852304218	GG	On-Demand	Bother	COLA	50	39
COc1ccccc1CONC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304254	GE	On-Demand	Anodyne	DRD2	25	42
COc1ccccc1CONC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304254	GE	On-Demand	Anodyne	DRD4	17	40
COc1ccccc1CONC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304254	GE	On-Demand	Anodyne	DRD3	18	40
COc1ccccc1CONC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304254	GE	On-Demand	Anodyne	SIGMAR1	18	44
COc1ccccc1CONC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304254	GE	On-Demand	Anodyne	MBTPS1	49	39
COc1ccccc1CONC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304256	GE	On-Demand	Anodyne	DRD2	25	42
COc1ccccc1CONC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304256	GE	On-Demand	Anodyne	DRD4	17	40
COc1ccccc1CONC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304256	GE	On-Demand	Anodyne	DRD3	18	40
COc1ccccc1CONC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304256	GE	On-Demand	Anodyne	SIGMAR1	18	44
COc1ccccc1CONC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1	ZINC000852304256	GE	On-Demand	Anodyne	MBTPS1	49	39
COc1ccccc1CONC(=O)N(C)C[C@@H]1CCc2ccccc21	ZINC000852304273	EG	On-Demand	Anodyne	MBTPS1	49	33
COc1ccccc1CONC(=O)N(C)C[C@H]1CCc2ccccc21	ZINC000852304274	EG	On-Demand	Anodyne	MBTPS1	49	33
COc1ccccc1CONC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852304284	EF	On-Demand	Anodyne	SOAT1	21	44
COc1ccccc1CONC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852304284	EF	On-Demand	Anodyne	CAPN2	50	38
COc1ccccc1CONC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852304285	EF	On-Demand	Anodyne	SOAT1	21	44
COc1ccccc1CONC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852304285	EF	On-Demand	Anodyne	CAPN2	50	38
COc1ccccc1CONC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852304286	EF	On-Demand	Anodyne	SOAT1	21	44
COc1ccccc1CONC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852304286	EF	On-Demand	Anodyne	CAPN2	50	38
COc1ccccc1CONC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852304287	EF	On-Demand	Anodyne	SOAT1	21	44
COc1ccccc1CONC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852304287	EF	On-Demand	Anodyne	CAPN2	50	38
C#C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852304306	CE	On-Demand	Mild	SIGMAR1	23	41
C#C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852304306	CE	On-Demand	Mild	CCR1	20	42
C#C[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852304307	CE	On-Demand	Mild	SIGMAR1	23	41
C#C[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852304307	CE	On-Demand	Mild	CCR1	20	42
C#C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852304308	CE	On-Demand	Mild	SIGMAR1	23	41
C#C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852304308	CE	On-Demand	Mild	CCR1	20	42
C#C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852304309	CE	On-Demand	Mild	SIGMAR1	23	41
C#C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C	ZINC000852304309	CE	On-Demand	Mild	CCR1	20	42
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)C	ZINC000852304329	DE	On-Demand	Mild	SCN2A	18	45
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)C	ZINC000852304329	DE	On-Demand	Mild	SCN10A	20	45
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)C	ZINC000852304330	DE	On-Demand	Mild	SCN2A	18	45
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)C	ZINC000852304330	DE	On-Demand	Mild	SCN10A	20	45
CCSC1(CNC(=O)NOCc2ccccc2OC)CC1	ZINC000852304375	DF	On-Demand	Anodyne	KCNA3	44	37
CN(Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852304386	FG	On-Demand	Bother	COLA	64	38
COc1ccccc1CONC(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852304460	FD	On-Demand	Anodyne	HTR1A	15	42
COc1ccccc1CONC(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852304460	FD	On-Demand	Anodyne	DRD2	20	40
COc1ccccc1CONC(=O)NCCN1C[C@@H]2CCCCN2C1=O	ZINC000852304460	FD	On-Demand	Anodyne	MBTPS1	40	32
COc1ccccc1CONC(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852304461	FD	On-Demand	Anodyne	HTR1A	15	42
COc1ccccc1CONC(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852304461	FD	On-Demand	Anodyne	DRD2	20	40
COc1ccccc1CONC(=O)NCCN1C[C@H]2CCCCN2C1=O	ZINC000852304461	FD	On-Demand	Anodyne	MBTPS1	40	32
COc1ccc(N2CC[C@H](NC(=O)NCC3C[C@@H](C)O[C@H](C)C3)C2)cc1	ZINC000852304476	FF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[C@H](C)O[C@H](C)C3)C2)cc1	ZINC000852304477	FF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCC3C[C@H](C)O[C@@H](C)C3)C2)cc1	ZINC000852304479	FF	On-Demand	Clean	MTNR1A	15	45
CN(C[C@@H](O)Cc1ccc(F)cc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852304480	FF	On-Demand	Anodyne	PAPA1_CARPA	24	46
CN(C[C@H](O)Cc1ccc(F)cc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852304481	FF	On-Demand	Anodyne	PAPA1_CARPA	24	46
C#C[C@H](NC(=O)NCCc1ccnc2ccccc12)C(C)C	ZINC000852304499	CF	On-Demand	Mild	MTNR1A	30	43
C#C[C@H](NC(=O)NCCc1ccnc2ccccc12)C(C)C	ZINC000852304499	CF	On-Demand	Mild	MTNR1B	19	43
C#C[C@@H](NC(=O)NCCc1ccnc2ccccc12)C(C)C	ZINC000852304500	CF	On-Demand	Mild	MTNR1A	30	43
C#C[C@@H](NC(=O)NCCc1ccnc2ccccc12)C(C)C	ZINC000852304500	CF	On-Demand	Mild	MTNR1B	19	43
C#C[C@@H](NC(=O)N1CCc2nccnc2C1)C(C)C	ZINC000852304507	CD	On-Demand	Mild	MAPK1	40	34
C#C[C@H](NC(=O)N1CCc2nccnc2C1)C(C)C	ZINC000852304508	CD	On-Demand	Mild	MAPK1	40	34
C#C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C(C)C	ZINC000852304520	EF	On-Demand	Mild	SSTR3	30	44
C#C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C(C)C	ZINC000852304521	EF	On-Demand	Mild	SSTR3	30	44
C#C[C@@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)C(C)C	ZINC000852304522	CF	On-Demand	Mild	RBP4	29	40
C#C[C@@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)C(C)C	ZINC000852304523	CF	On-Demand	Mild	RBP4	29	40
C#C[C@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)C(C)C	ZINC000852304524	CF	On-Demand	Mild	RBP4	29	40
C#C[C@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)C(C)C	ZINC000852304525	CF	On-Demand	Mild	RBP4	29	40
CC(=O)c1ccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000852304584	HG	On-Demand	Mild	TAAR1	26	46
COc1ccccc1CONC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852304595	EG	On-Demand	Anodyne	TSHR	41	31
COc1ccccc1CONC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852304595	EG	On-Demand	Anodyne	TACR1	26	42
COc1ccccc1CONC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852304595	EG	On-Demand	Anodyne	MBTPS1	44	32
COc1ccccc1CONC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852304596	EG	On-Demand	Anodyne	TSHR	41	31
COc1ccccc1CONC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852304596	EG	On-Demand	Anodyne	TACR1	26	42
COc1ccccc1CONC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852304596	EG	On-Demand	Anodyne	MBTPS1	44	32
COc1ccccc1CONC(=O)NCC1(C#N)CCCCC1	ZINC000852304665	DF	On-Demand	Mild	HCN1	53	38
COc1ccccc1CONC(=O)NCC1(C#N)CCCCC1	ZINC000852304665	DF	On-Demand	Mild	HCN4	49	36
COc1ccccc1CONC(=O)NCCc1cn(C)c2ccccc12	ZINC000852304671	FG	On-Demand	Anodyne	NQO2	38	41
COc1ccccc1CONC(=O)NCCc1cn(C)c2ccccc12	ZINC000852304671	FG	On-Demand	Anodyne	MTNR1A	28	47
COc1ccccc1CONC(=O)NCCc1cn(C)c2ccccc12	ZINC000852304671	FG	On-Demand	Anodyne	MTNR1B	20	47
COc1ccccc1CONC(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12	ZINC000852304688	DF	On-Demand	Anodyne	MBTPS1	45	32
COc1ccccc1CONC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21	ZINC000852304689	DF	On-Demand	Anodyne	MBTPS1	45	32
COc1ccccc1CONC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12	ZINC000852304690	DF	On-Demand	Anodyne	MBTPS1	45	32
COc1ccccc1CONC(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21	ZINC000852304692	DF	On-Demand	Anodyne	MBTPS1	45	32
COc1ccccc1CONC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852304694	CF	On-Demand	Anodyne	MBTPS1	45	37
C#C[C@H](NC(=O)N1CCc2nc(-c3ccccc3)sc2C1)C(C)C	ZINC000852304705	EH	On-Demand	Mild	P2RY14	46	35
C#C[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)sc2C1)C(C)C	ZINC000852304707	EH	On-Demand	Mild	P2RY14	46	35
C=CC[C@H](CC)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852304779	EI	On-Demand	Mild	PDS	46	31
C#C[C@H](NC(=O)NCc1ccc(CNC(C)=O)cc1)C(C)C	ZINC000852304796	DD	On-Demand	Mild	ANPEP	17	44
C#C[C@@H](NC(=O)NCc1ccc(CNC(C)=O)cc1)C(C)C	ZINC000852304797	DD	On-Demand	Mild	ANPEP	17	44
C#C[C@@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C(C)C	ZINC000852304822	GF	On-Demand	Mild	EPHX2	20	40
C#C[C@@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C(C)C	ZINC000852304822	GF	On-Demand	Mild	RBP4	45	42
C#C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C(C)C	ZINC000852304823	GF	On-Demand	Mild	EPHX2	20	40
C#C[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)C(C)C	ZINC000852304823	GF	On-Demand	Mild	RBP4	45	42
C#C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(C)C	ZINC000852304830	DF	On-Demand	Mild	SOAT1	24	40
C#C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(C)C	ZINC000852304831	DF	On-Demand	Mild	SOAT1	24	40
C#C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(C)C	ZINC000852304832	DF	On-Demand	Mild	SOAT1	24	40
C#C[C@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(C)C	ZINC000852304833	DF	On-Demand	Mild	SOAT1	24	40
CCN(CCCON1C(=O)c2ccccc2C1=O)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852304840	GF	On-Demand	Anodyne	AMY2	45	32
CCN(CCCON1C(=O)c2ccccc2C1=O)[C@H](C)C(=O)OC(C)(C)C	ZINC000852304841	GF	On-Demand	Anodyne	AMY2	45	32
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2	ZINC000852304856	IF	On-Demand	Mild	NOS2	92	35
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)C(C)C	ZINC000852304861	CE	On-Demand	Mild	CACNA1I	54	34
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)C(C)C	ZINC000852304862	CE	On-Demand	Mild	CACNA1I	54	34
COc1ccccc1CONC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852304906	ED	On-Demand	Anodyne	TACR1	15	41
COc1ccccc1CONC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852304906	ED	On-Demand	Anodyne	ACKR3	49	30
COc1ccccc1CONC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852304936	GF	On-Demand	Anodyne	MBTPS1	52	37
COc1ccccc1CONC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852304958	CE	On-Demand	Anodyne	GRIN2B	15	40
COc1ccccc1CONC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852304958	CE	On-Demand	Anodyne	TACR1	23	43
COc1ccccc1CONC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852304958	CE	On-Demand	Anodyne	MBTPS1	48	31
COc1ccccc1CONC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852304959	CE	On-Demand	Anodyne	GRIN2B	15	40
COc1ccccc1CONC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852304959	CE	On-Demand	Anodyne	TACR1	23	43
COc1ccccc1CONC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852304959	CE	On-Demand	Anodyne	MBTPS1	48	31
COc1ccccc1CONC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852304960	CE	On-Demand	Anodyne	GRIN2B	15	40
COc1ccccc1CONC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852304960	CE	On-Demand	Anodyne	TACR1	23	43
COc1ccccc1CONC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852304960	CE	On-Demand	Anodyne	MBTPS1	48	31
COc1ccccc1CONC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852304961	CE	On-Demand	Anodyne	GRIN2B	15	40
COc1ccccc1CONC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852304961	CE	On-Demand	Anodyne	TACR1	23	43
COc1ccccc1CONC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852304961	CE	On-Demand	Anodyne	MBTPS1	48	31
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCC[C@@H]2C)O1	ZINC000852305034	GE	On-Demand	Reactive	DRD4	15	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCC[C@@H]2C)O1	ZINC000852305035	GE	On-Demand	Reactive	DRD4	15	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)NC[C@H]2CCC[C@H]2C)O1	ZINC000852305036	GE	On-Demand	Reactive	DRD4	15	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCC[C@H]2C)O1	ZINC000852305037	GE	On-Demand	Reactive	DRD4	15	40
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1c(F)cccc1F	ZINC000852305109	HG	On-Demand	Mild	TAAR1	29	44
C[C@@]1(CNC(=O)N2CCO[C@](C)(C(F)F)C2)CCN(Cc2ccccc2)C1	ZINC000852305120	GF	On-Demand	Anodyne	NPFFR1	41	37
C[C@@]1(CNC(=O)N2CCO[C@@](C)(C(F)F)C2)CCN(Cc2ccccc2)C1	ZINC000852305122	GF	On-Demand	Anodyne	NPFFR1	41	37
COC[C@@H](NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852305131	GF	On-Demand	Anodyne	NPFFR1	40	35
COC[C@@H](NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852305132	GF	On-Demand	Anodyne	NPFFR1	40	35
COC[C@H](NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852305133	GF	On-Demand	Anodyne	NPFFR1	40	35
COC[C@H](NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852305134	GF	On-Demand	Anodyne	NPFFR1	40	35
C[C@@]1(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)CCN(Cc2ccccc2)C1	ZINC000852305143	GG	On-Demand	Anodyne	SIGMAR1	35	41
C[C@@]1(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)CCN(Cc2ccccc2)C1	ZINC000852305143	GG	On-Demand	Anodyne	CCR3	41	43
C[C@@]1(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)CCN(Cc2ccccc2)C1	ZINC000852305143	GG	On-Demand	Anodyne	NPFFR2	38	41
C[C@@]1(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)CCN(Cc2ccccc2)C1	ZINC000852305143	GG	On-Demand	Anodyne	NPFFR1	46	38
C[C@@]1(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)CCN(Cc2ccccc2)C1	ZINC000852305144	GG	On-Demand	Anodyne	SIGMAR1	35	41
C[C@@]1(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)CCN(Cc2ccccc2)C1	ZINC000852305144	GG	On-Demand	Anodyne	CCR3	41	43
C[C@@]1(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)CCN(Cc2ccccc2)C1	ZINC000852305144	GG	On-Demand	Anodyne	NPFFR2	38	41
C[C@@]1(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)CCN(Cc2ccccc2)C1	ZINC000852305144	GG	On-Demand	Anodyne	NPFFR1	46	38
C[C@@]1(CNC(=O)NCC2SCCS2)CCN(Cc2ccccc2)C1	ZINC000852305146	FG	On-Demand	Anodyne	SIGMAR1	49	38
C[C@@]1(CNC(=O)NCC2SCCS2)CCN(Cc2ccccc2)C1	ZINC000852305146	FG	On-Demand	Anodyne	NPFFR2	38	40
C[C@@]1(CNC(=O)NCC2SCCS2)CCN(Cc2ccccc2)C1	ZINC000852305146	FG	On-Demand	Anodyne	NPFFR1	48	40
Cc1nnc(CN(C)C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)o1	ZINC000852305161	FE	On-Demand	Anodyne	NPFFR1	42	36
Cc1nnc(CN(C)C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)o1	ZINC000852305163	FE	On-Demand	Anodyne	NPFFR1	42	36
C[C@@H](NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)c1cscn1	ZINC000852305165	FG	On-Demand	Anodyne	NPFFR1	43	37
C[C@@H](NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)c1cscn1	ZINC000852305166	FG	On-Demand	Anodyne	NPFFR1	43	37
C[C@H](NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)c1cscn1	ZINC000852305168	FG	On-Demand	Anodyne	NPFFR1	43	37
C[C@H](NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)c1cscn1	ZINC000852305170	FG	On-Demand	Anodyne	NPFFR1	43	37
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305177	EE	On-Demand	Mild	ACHE	29	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305177	EE	On-Demand	Mild	HTR4	47	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305177	EE	On-Demand	Mild	SIGMAR1	25	43
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305177	EE	On-Demand	Mild	CCR3	23	40
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305177	EE	On-Demand	Mild	CACNA1I	68	42
COCc1csc(CNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)c1	ZINC000852305178	GH	On-Demand	Anodyne	NPFFR1	44	38
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305179	EE	On-Demand	Mild	ACHE	29	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305179	EE	On-Demand	Mild	HTR4	47	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305179	EE	On-Demand	Mild	SIGMAR1	25	43
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305179	EE	On-Demand	Mild	CCR3	23	40
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)C	ZINC000852305179	EE	On-Demand	Mild	CACNA1I	68	42
COCc1csc(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)c1	ZINC000852305180	GH	On-Demand	Anodyne	NPFFR1	44	38
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21	ZINC000852305181	HH	On-Demand	Mild	AVPR2	31	41
Cc1nnc(CN(C)C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)s1	ZINC000852305189	FF	On-Demand	Anodyne	NPFFR1	42	38
Cc1nnc(CN(C)C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)s1	ZINC000852305191	FF	On-Demand	Anodyne	NPFFR1	42	38
COc1ccccc1NC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000852305263	GG	On-Demand	Mild	KCNQ2	68	36
COc1ccccc1NC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000852305263	GG	On-Demand	Mild	TAAR1	28	48
COc1ccccc1CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852305305	FF	On-Demand	Anodyne	DRD2	46	49
COc1ccccc1CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852305305	FF	On-Demand	Anodyne	TSHR	48	32
COc1ccccc1CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852305305	FF	On-Demand	Anodyne	DRD4	21	43
COc1ccccc1CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852305305	FF	On-Demand	Anodyne	DRD3	21	45
COc1ccccc1CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852305305	FF	On-Demand	Anodyne	TACR1	17	41
COc1ccccc1CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852305305	FF	On-Demand	Anodyne	SIGMAR1	30	48
COc1ccccc1CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852305305	FF	On-Demand	Anodyne	MBTPS1	60	43
COc1ccccc1CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852305306	FF	On-Demand	Anodyne	DRD2	46	49
COc1ccccc1CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852305306	FF	On-Demand	Anodyne	TSHR	48	32
COc1ccccc1CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852305306	FF	On-Demand	Anodyne	DRD4	21	43
COc1ccccc1CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852305306	FF	On-Demand	Anodyne	DRD3	21	45
COc1ccccc1CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852305306	FF	On-Demand	Anodyne	TACR1	17	41
COc1ccccc1CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852305306	FF	On-Demand	Anodyne	SIGMAR1	30	48
COc1ccccc1CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852305306	FF	On-Demand	Anodyne	MBTPS1	60	43
COc1ccccc1CONC(=O)N1CC[C@H]2COC[C@H]2C1	ZINC000852305324	DD	On-Demand	Anodyne	TACR1	18	44
COc1ccccc1CONC(=O)N1CC[C@H]2COC[C@@H]2C1	ZINC000852305325	DD	On-Demand	Anodyne	TACR1	18	44
COc1ccccc1CONC(=O)N1CC[C@@H]2COC[C@@H]2C1	ZINC000852305326	DD	On-Demand	Anodyne	TACR1	18	44
COc1ccccc1CONC(=O)N1CC[C@@H]2COC[C@H]2C1	ZINC000852305327	DD	On-Demand	Anodyne	TACR1	18	44
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	HTR1A	24	41
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	DRD2	32	45
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	DRD4	27	45
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	ACHE	18	42
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	DRD3	29	42
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	HTR4	77	47
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	CHRM4	15	41
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	SIGMAR1	21	44
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	CCR3	47	43
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	CACNA1I	59	38
COc1ccccc1CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852305335	EF	On-Demand	Anodyne	MBTPS1	53	36
C#C[C@@H](NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)C(C)C	ZINC000852305414	DF	On-Demand	Mild	NPY1R	29	41
C#C[C@H](NC(=O)N[C@H]1CCc2ccccc2-n2ccnc21)C(C)C	ZINC000852305416	DF	On-Demand	Mild	NPY1R	29	41
C#C[C@@H](NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)C(C)C	ZINC000852305418	DF	On-Demand	Mild	NPY1R	29	41
C#C[C@H](NC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)C(C)C	ZINC000852305419	DF	On-Demand	Mild	NPY1R	29	41
C#C[C@H](NC(=O)NCc1cccc(OC)c1C)C(C)C	ZINC000852305424	CE	On-Demand	Mild	ANPEP	16	50
C#C[C@@H](NC(=O)NCc1cccc(OC)c1C)C(C)C	ZINC000852305425	CE	On-Demand	Mild	ANPEP	16	50
C#C[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(C)C	ZINC000852305448	EG	On-Demand	Mild	FPR1	41	35
C#C[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(C)C	ZINC000852305449	EG	On-Demand	Mild	FPR1	41	35
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)C	ZINC000852305469	EG	On-Demand	Mild	KCNH2	41	39
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)C	ZINC000852305469	EG	On-Demand	Mild	GLRA1	45	34
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)C	ZINC000852305470	EG	On-Demand	Mild	KCNH2	41	39
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)C	ZINC000852305470	EG	On-Demand	Mild	GLRA1	45	34
CN(CC1=CCSC1)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305544	FG	On-Demand	Anodyne	NPFFR1	43	35
CN(CC1=CCSC1)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305546	FG	On-Demand	Anodyne	NPFFR1	43	35
C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852305562	CD	On-Demand	Mild	PYGL	35	49
C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852305562	CD	On-Demand	Mild	PYGM	32	49
C#C[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852305563	CD	On-Demand	Mild	PYGL	35	49
C#C[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852305563	CD	On-Demand	Mild	PYGM	32	49
C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852305564	CD	On-Demand	Mild	PYGL	35	49
C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852305564	CD	On-Demand	Mild	PYGM	32	49
C#C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852305565	CD	On-Demand	Mild	PYGL	35	49
C#C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)C	ZINC000852305565	CD	On-Demand	Mild	PYGM	32	49
C=C[C@H](CO)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305593	DD	On-Demand	Mild	NPFFR1	48	40
C=C[C@H](CO)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305594	DD	On-Demand	Mild	NPFFR1	48	40
COCCN(CCF)C(=O)NCc1cc(Cl)ccc1N1CCOCC1	ZINC000852305599	FE	On-Demand	Anodyne	SCN10A	17	42
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1	ZINC000852305622	HH	On-Demand	Mild	KCNQ2	27	41
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1	ZINC000852305622	HH	On-Demand	Mild	TAAR1	38	47
CCN(Cc1cc(=O)oc2cc(OC)ccc12)[C@H](C)C(=O)OC(C)(C)C	ZINC000852305630	FG	On-Demand	Anodyne	MAOB	32	41
CCN(Cc1cc(=O)oc2cc(OC)ccc12)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852305632	FG	On-Demand	Anodyne	MAOB	32	41
N#Cc1cccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000852305636	GG	On-Demand	Mild	TAAR1	29	46
C[C@@]1(CNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)CCN(Cc2ccccc2)C1	ZINC000852305669	GG	On-Demand	Anodyne	NPFFR1	41	36
CN(Cc1ccncc1C#N)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852305675	DF	On-Demand	Mild	GPR119	15	42
COc1ccccc1CONC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852305676	ED	On-Demand	Anodyne	MBTPS1	42	30
COc1ccccc1CONC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852305677	ED	On-Demand	Anodyne	MBTPS1	42	30
COc1ccccc1CONC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852305678	ED	On-Demand	Anodyne	MBTPS1	42	30
COc1ccccc1CONC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852305679	ED	On-Demand	Anodyne	MBTPS1	42	30
COc1ccccc1CONC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852305703	EE	On-Demand	Anodyne	KCNA3	40	35
COc1ccccc1CONC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852305703	EE	On-Demand	Anodyne	HCN1	54	38
COc1ccccc1CONC(=O)NCC1(CC(N)=O)CCCCC1	ZINC000852305703	EE	On-Demand	Anodyne	HCN4	50	37
COc1ccccc1CONC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852305712	GF	On-Demand	Clean	MBTPS1	51	35
COc1ccccc1CONC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852305712	GF	On-Demand	Clean	SLC12A5	42	33
CN(C[C@@H](O)c1cccnc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852305751	DE	On-Demand	Anodyne	ADRB3	33	42
C[C@@]1(CNC(=O)N2CCO[C@H](CC(F)(F)F)C2)CCN(Cc2ccccc2)C1	ZINC000852305777	GG	On-Demand	Anodyne	NPFFR1	41	36
C[C@@]1(CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)CCN(Cc2ccccc2)C1	ZINC000852305787	GE	On-Demand	Anodyne	SIGMAR1	41	36
C[C@@]1(CNC(=O)N2CC[C@H](N3CCOC3=O)C2)CCN(Cc2ccccc2)C1	ZINC000852305788	GE	On-Demand	Anodyne	SIGMAR1	41	36
COc1ccccc1CONC(=O)NCC1SCCS1	ZINC000852305789	DE	On-Demand	Anodyne	MBTPS1	44	32
COc1ccccc1CONC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1	ZINC000852305795	EG	On-Demand	Anodyne	MBTPS1	49	34
COc1ccccc1CONC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1	ZINC000852305797	EG	On-Demand	Anodyne	MBTPS1	49	34
COc1ccccc1CONC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1	ZINC000852305798	EG	On-Demand	Anodyne	MBTPS1	49	34
COc1ccccc1CONC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1	ZINC000852305799	EG	On-Demand	Anodyne	MBTPS1	49	34
COc1ccccc1CONC(=O)N1CCC[C@H](CCF)C1	ZINC000852305810	DF	On-Demand	Anodyne	TACR1	20	41
COc1ccccc1CONC(=O)N1CCC[C@H](CCF)C1	ZINC000852305810	DF	On-Demand	Anodyne	ACKR3	48	29
COc1ccccc1CONC(=O)N1CCC[C@@H](CCF)C1	ZINC000852305811	DF	On-Demand	Anodyne	TACR1	20	41
COc1ccccc1CONC(=O)N1CCC[C@@H](CCF)C1	ZINC000852305811	DF	On-Demand	Anodyne	ACKR3	48	29
Cc1ccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl	ZINC000852305861	HI	On-Demand	Mild	TAAR1	16	43
C[C@@H]1CN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C[C@@](C)(C(F)F)O1	ZINC000852305865	GG	On-Demand	Anodyne	SIGMAR1	42	39
C[C@@H]1CN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C[C@](C)(C(F)F)O1	ZINC000852305874	GG	On-Demand	Anodyne	SIGMAR1	42	39
COc1ccccc1CONC(=O)NC[C@H](C(=O)OC(C)(C)C)C1CCC1	ZINC000852305887	GG	On-Demand	Anodyne	MBTPS1	43	31
COc1ccccc1CONC(=O)NC[C@@H](C(=O)OC(C)(C)C)C1CCC1	ZINC000852305888	GG	On-Demand	Anodyne	MBTPS1	43	31
O=[N+]([O-])c1cc(C=NOCc2cccc(C(F)(F)F)c2)ccc1N1CCCC1	ZINC000852305898	GJ	On-Demand	Mild	SERPINE1	20	43
CNC(=O)CC1(CNC(=O)NOCc2ccccc2OC)CCCCC1	ZINC000852305902	FF	On-Demand	Anodyne	HCN1	52	37
CNC(=O)CC1(CNC(=O)NOCc2ccccc2OC)CCCCC1	ZINC000852305902	FF	On-Demand	Anodyne	HCN4	49	36
COC1CC(CCNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852305931	FG	On-Demand	Anodyne	ACHE	35	45
COC1CC(CCNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852305931	FG	On-Demand	Anodyne	SIGMAR1	48	39
COC1CC(CCNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852305931	FG	On-Demand	Anodyne	NPFFR1	45	40
COC1CC(CCNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852305932	FG	On-Demand	Anodyne	ACHE	35	45
COC1CC(CCNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852305932	FG	On-Demand	Anodyne	SIGMAR1	48	39
COC1CC(CCNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852305932	FG	On-Demand	Anodyne	NPFFR1	45	40
Cc1ccncc1CCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305945	FG	On-Demand	Anodyne	NPFFR1	46	40
Cc1ccncc1CCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305946	FG	On-Demand	Anodyne	NPFFR1	46	40
COC(=O)N(C)CCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305959	FD	On-Demand	Anodyne	NPFFR1	48	41
COC(=O)N(C)CCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305960	FD	On-Demand	Anodyne	NPFFR1	48	41
COC[C@@H](CCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)OC	ZINC000852305965	FE	On-Demand	Anodyne	NPFFR1	45	39
COC[C@@H](CCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)OC	ZINC000852305966	FE	On-Demand	Anodyne	NPFFR1	45	39
CN(C[C@@H]1CC1(C)C)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305972	EH	On-Demand	Anodyne	ACHE	17	40
CN(C[C@@H]1CC1(C)C)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305972	EH	On-Demand	Anodyne	SIGMAR1	48	38
CN(C[C@@H]1CC1(C)C)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305972	EH	On-Demand	Anodyne	NPFFR1	43	37
CN(C[C@@H]1CC1(C)C)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305974	EH	On-Demand	Anodyne	ACHE	17	40
CN(C[C@@H]1CC1(C)C)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305974	EH	On-Demand	Anodyne	SIGMAR1	48	38
CN(C[C@@H]1CC1(C)C)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852305974	EH	On-Demand	Anodyne	NPFFR1	43	37
COc1ccccc1CONC(=O)N1CCC(c2ccon2)CC1	ZINC000852305989	EF	On-Demand	Anodyne	SMO	33	43
COc1ccccc1CONC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852306020	EE	On-Demand	Anodyne	SSTR2	51	41
COc1ccccc1CONC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852306020	EE	On-Demand	Anodyne	OPRM1	16	41
COc1ccccc1CONC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852306020	EE	On-Demand	Anodyne	TACR1	28	43
COc1ccccc1CONC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852306020	EE	On-Demand	Anodyne	CCR5	17	47
COc1ccccc1CONC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852306020	EE	On-Demand	Anodyne	DPP7	42	38
COc1ccccc1CONC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852306020	EE	On-Demand	Anodyne	BIRC2	36	43
COc1ccccc1CONC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852306021	EE	On-Demand	Anodyne	SSTR2	51	41
COc1ccccc1CONC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852306021	EE	On-Demand	Anodyne	OPRM1	16	41
COc1ccccc1CONC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852306021	EE	On-Demand	Anodyne	TACR1	28	43
COc1ccccc1CONC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852306021	EE	On-Demand	Anodyne	CCR5	17	47
COc1ccccc1CONC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852306021	EE	On-Demand	Anodyne	DPP7	42	38
COc1ccccc1CONC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852306021	EE	On-Demand	Anodyne	BIRC2	36	43
COc1ccccc1CONC(=O)NC[C@H]1CCC[C@H](C)O1	ZINC000852306022	DE	On-Demand	Anodyne	MBTPS1	44	32
COc1ccccc1CONC(=O)NC[C@@H]1CCC[C@H](C)O1	ZINC000852306023	DE	On-Demand	Anodyne	MBTPS1	44	32
COc1ccccc1CONC(=O)NC[C@@H]1CCC[C@@H](C)O1	ZINC000852306024	DE	On-Demand	Anodyne	MBTPS1	44	32
COc1ccccc1CONC(=O)NC[C@H]1CCC[C@@H](C)O1	ZINC000852306025	DE	On-Demand	Anodyne	MBTPS1	44	32
COc1ccccc1CONC(=O)NCc1cc(C)cc(C)c1	ZINC000852306035	DG	On-Demand	Anodyne	ANPEP	16	43
C=C[C@H](CO)NC(=O)NOCc1ccccc1OC	ZINC000852306055	CC	On-Demand	Mild	KLK3	40	31
COc1ccccc1CONC(=O)NC1CCN([C@H]2CCOC2)CC1	ZINC000852306066	ED	On-Demand	Anodyne	ADRA1D	17	42
COc1ccccc1CONC(=O)NC1CCN([C@@H]2CCOC2)CC1	ZINC000852306068	ED	On-Demand	Anodyne	ADRA1D	17	42
COc1ccccc1CONC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852306074	EF	On-Demand	Anodyne	DRD2	36	41
COc1ccccc1CONC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852306074	EF	On-Demand	Anodyne	DRD4	22	41
COc1ccccc1CONC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852306074	EF	On-Demand	Anodyne	HTR4	41	42
COc1ccccc1CONC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852306074	EF	On-Demand	Anodyne	CHRM4	16	43
COc1ccccc1CONC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852306074	EF	On-Demand	Anodyne	CCR3	52	44
COc1ccccc1CONC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852306074	EF	On-Demand	Anodyne	MBTPS1	54	39
COc1ccccc1CONC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852306076	EF	On-Demand	Anodyne	DRD2	36	41
COc1ccccc1CONC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852306076	EF	On-Demand	Anodyne	DRD4	22	41
COc1ccccc1CONC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852306076	EF	On-Demand	Anodyne	HTR4	41	42
COc1ccccc1CONC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852306076	EF	On-Demand	Anodyne	CHRM4	16	43
COc1ccccc1CONC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852306076	EF	On-Demand	Anodyne	CCR3	52	44
COc1ccccc1CONC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852306076	EF	On-Demand	Anodyne	MBTPS1	54	39
C[C@@]1(CNC(=O)N[C@@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)C1	ZINC000852306090	FF	On-Demand	Anodyne	SIGMAR1	40	38
C[C@@]1(CNC(=O)N[C@@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)C1	ZINC000852306090	FF	On-Demand	Anodyne	NPFFR1	44	37
C[C@@]1(CNC(=O)N[C@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)C1	ZINC000852306091	FF	On-Demand	Anodyne	SIGMAR1	40	38
C[C@@]1(CNC(=O)N[C@H]2COC3(CCC3)C2)CCN(Cc2ccccc2)C1	ZINC000852306091	FF	On-Demand	Anodyne	NPFFR1	44	37
C[C@@]1(CNC(=O)N2CCC(c3ccon3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306094	GG	On-Demand	Anodyne	SIGMAR1	40	37
C[C@@]1(CNC(=O)N2CCC(c3ccon3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306094	GG	On-Demand	Anodyne	SMO	35	41
C[C@@]1(CNC(=O)N2CCc3nccnc3C2)CCN(Cc2ccccc2)C1	ZINC000852306101	FE	On-Demand	Anodyne	P2RY14	44	34
C[C@@]1(CNC(=O)N2CCc3nccnc3C2)CCN(Cc2ccccc2)C1	ZINC000852306101	FE	On-Demand	Anodyne	NPFFR1	41	35
O=C(NCc1ncccn1)NCc1cc(Cl)ccc1N1CCOCC1	ZINC000852306111	FD	On-Demand	Anodyne	EPHX2	18	44
O=C(NCc1ncccn1)NCc1cc(Cl)ccc1N1CCOCC1	ZINC000852306111	FD	On-Demand	Anodyne	SCN10A	35	49
O=C(NCc1ncccn1)NCc1cc(Cl)ccc1N1CCOCC1	ZINC000852306111	FD	On-Demand	Anodyne	STAT6	42	32
CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)C(=O)OC(C)(C)C	ZINC000852306112	FG	On-Demand	Bother	COLA	116	42
CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)C(=O)OC(C)(C)C	ZINC000852306113	FG	On-Demand	Bother	COLA	116	42
CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)C(=O)OC(C)(C)C	ZINC000852306121	EG	On-Demand	Bother	COLA	91	36
CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852306122	EG	On-Demand	Bother	COLA	91	36
CCN(Cc1cccnc1Cl)[C@H](C)C(=O)OC(C)(C)C	ZINC000852306123	CG	On-Demand	Anodyne	G2YM83_BOTF4	44	33
CCN(Cc1cccnc1Cl)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852306124	CG	On-Demand	Anodyne	G2YM83_BOTF4	44	33
CCN(Cc1cc(=O)oc2cc(C)ccc12)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852306125	EH	On-Demand	Anodyne	HSD17B3	15	40
CCN(Cc1cc(=O)oc2cc(C)ccc12)[C@H](C)C(=O)OC(C)(C)C	ZINC000852306126	EH	On-Demand	Anodyne	HSD17B3	15	40
C[C@@]1(CNC(=O)N2C[C@@]3(C)COC[C@@]3(C)C2)CCN(Cc2ccccc2)C1	ZINC000852306143	FF	On-Demand	Anodyne	SIGMAR1	47	39
C[C@@]1(CNC(=O)N2C[C@@]3(C)COC[C@@]3(C)C2)CCN(Cc2ccccc2)C1	ZINC000852306143	FF	On-Demand	Anodyne	NPFFR1	43	38
CCSC1(CNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1	ZINC000852306160	FG	On-Demand	Anodyne	SIGMAR1	41	37
CCSC1(CNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1	ZINC000852306160	FG	On-Demand	Anodyne	NPFFR2	40	41
CCSC1(CNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1	ZINC000852306160	FG	On-Demand	Anodyne	MCHR2	40	31
CCSC1(CNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1	ZINC000852306160	FG	On-Demand	Anodyne	NPFFR1	50	41
CCSC1(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1	ZINC000852306161	FG	On-Demand	Anodyne	SIGMAR1	41	37
CCSC1(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1	ZINC000852306161	FG	On-Demand	Anodyne	NPFFR2	40	41
CCSC1(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1	ZINC000852306161	FG	On-Demand	Anodyne	MCHR2	40	31
CCSC1(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1	ZINC000852306161	FG	On-Demand	Anodyne	NPFFR1	50	41
C=CCOCCCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306168	EF	On-Demand	Mild	HRH2	32	43
C=CCOCCCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306168	EF	On-Demand	Mild	NPFFR1	45	39
C=CCOCCCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306169	EF	On-Demand	Mild	HRH2	32	43
C=CCOCCCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306169	EF	On-Demand	Mild	NPFFR1	45	39
COCc1csc(CNC(=O)NOCc2ccccc2OC)c1	ZINC000852306180	EF	On-Demand	Anodyne	CARM1	31	42
COc1ccccc1CONC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852306197	EG	On-Demand	Anodyne	KCNA3	36	40
CCO[C@@H]1C[C@@H](NC(=O)NOCc2ccccc2OC)C1	ZINC000852306255	CD	On-Demand	Anodyne	TIMP3	48	33
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306289	GH	On-Demand	Anodyne	SIGMAR1	35	43
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306289	GH	On-Demand	Anodyne	NPFFR2	35	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306289	GH	On-Demand	Anodyne	NPFFR1	44	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306290	GH	On-Demand	Anodyne	SIGMAR1	35	43
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306290	GH	On-Demand	Anodyne	NPFFR2	35	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306290	GH	On-Demand	Anodyne	NPFFR1	44	42
C[C@@]1(CNC(=O)NCCOCCF)CCN(Cc2ccccc2)C1	ZINC000852306311	EE	On-Demand	Anodyne	HRH2	24	40
C[C@@]1(CNC(=O)NCCOCCF)CCN(Cc2ccccc2)C1	ZINC000852306311	EE	On-Demand	Anodyne	NPFFR2	39	41
C[C@@]1(CNC(=O)NCCOCCF)CCN(Cc2ccccc2)C1	ZINC000852306311	EE	On-Demand	Anodyne	NPFFR1	50	43
Cc1cccc(NC(=O)[C@H](C)ON=CC(=O)Nc2cccc(F)c2)c1C	ZINC000852306316	FG	On-Demand	Mild	KCNK3	38	40
Cc1cccc(NC(=O)[C@H](C)ON=CC(=O)Nc2cccc(F)c2)c1C	ZINC000852306316	FG	On-Demand	Mild	KCNK9	27	40
Cc1cccc(NC(=O)[C@@H](C)ON=CC(=O)Nc2cccc(F)c2)c1C	ZINC000852306318	FG	On-Demand	Mild	KCNK3	38	40
Cc1cccc(NC(=O)[C@@H](C)ON=CC(=O)Nc2cccc(F)c2)c1C	ZINC000852306318	FG	On-Demand	Mild	KCNK9	27	40
CN(CC(=O)N(C)Cc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852306323	FF	On-Demand	Anodyne	CTSB	19	63
CCC(C)(C)[C@@H](C)NC(=O)NOCc1ccccc1OC	ZINC000852306343	CG	On-Demand	Anodyne	PAPA1_CARPA	49	35
CCC(C)(C)[C@@H](C)NC(=O)NOCc1ccccc1OC	ZINC000852306343	CG	On-Demand	Anodyne	CAPNS1	48	33
CCC(C)(C)[C@@H](C)NC(=O)NOCc1ccccc1OC	ZINC000852306343	CG	On-Demand	Anodyne	CAPN2	45	38
C[C@@]1(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)CCN(Cc2ccccc2)C1	ZINC000852306357	GE	On-Demand	Anodyne	FKBP1A	15	49
C[C@@]1(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)CCN(Cc2ccccc2)C1	ZINC000852306357	GE	On-Demand	Anodyne	NPFFR1	40	36
C[C@@]1(CNC(=O)NNC(=O)c2cccc(F)n2)CCN(Cc2ccccc2)C1	ZINC000852306361	GE	On-Demand	Reactive	NPFFR1	48	39
C[C@@]1(CNC(=O)N2CC[C@@](C)(C#N)C2)CCN(Cc2ccccc2)C1	ZINC000852306373	EF	On-Demand	Mild	SIGMAR1	36	43
C[C@@]1(CNC(=O)N2CC[C@@](C)(C#N)C2)CCN(Cc2ccccc2)C1	ZINC000852306373	EF	On-Demand	Mild	NPFFR2	35	41
C[C@@]1(CNC(=O)N2CC[C@@](C)(C#N)C2)CCN(Cc2ccccc2)C1	ZINC000852306373	EF	On-Demand	Mild	NPFFR1	46	41
C[C@@]1(C#N)CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852306375	EF	On-Demand	Mild	SIGMAR1	36	43
C[C@@]1(C#N)CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852306375	EF	On-Demand	Mild	NPFFR2	35	41
C[C@@]1(C#N)CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852306375	EF	On-Demand	Mild	NPFFR1	46	41
CC[C@@H](NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)C1CC1	ZINC000852306380	EG	On-Demand	Anodyne	SIGMAR1	40	39
CC[C@@H](NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)C1CC1	ZINC000852306380	EG	On-Demand	Anodyne	NPFFR1	48	39
CC[C@@H](NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC1	ZINC000852306381	EG	On-Demand	Anodyne	SIGMAR1	40	39
CC[C@@H](NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)C1CC1	ZINC000852306381	EG	On-Demand	Anodyne	NPFFR1	48	39
C[C@@]1(CNC(=O)NCCc2noc3ccccc23)CCN(Cc2ccccc2)C1	ZINC000852306383	GH	On-Demand	Anodyne	ACHE	18	48
C[C@@]1(CNC(=O)NCCc2noc3ccccc23)CCN(Cc2ccccc2)C1	ZINC000852306383	GH	On-Demand	Anodyne	NPFFR1	47	40
Cn1ncc(C2CC2)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306385	GG	On-Demand	Anodyne	NPFFR1	41	36
Cn1ncc(C2CC2)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306386	GG	On-Demand	Anodyne	NPFFR1	41	36
COc1ccccc1CONC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000852306455	FF	On-Demand	Mild	HTR1A	42	40
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1	ZINC000852306503	JJ	On-Demand	Mild	KCNQ2	60	36
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1	ZINC000852306503	JJ	On-Demand	Mild	TAAR1	24	45
CN(Cc1cn(C)nn1)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306505	FD	On-Demand	Anodyne	NPFFR1	41	36
CN(Cc1cn(C)nn1)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306506	FD	On-Demand	Anodyne	NPFFR1	41	36
CCOc1ccccc1NC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000852306508	HH	On-Demand	Mild	KCNQ2	68	35
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=CC(=O)Nc2cccc(F)c2)c1	ZINC000852306509	GF	On-Demand	Mild	KCNK3	50	41
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=CC(=O)Nc2cccc(F)c2)c1	ZINC000852306509	GF	On-Demand	Mild	KCNK9	49	41
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=CC(=O)Nc2cccc(F)c2)c1	ZINC000852306510	GF	On-Demand	Mild	KCNK3	50	41
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=CC(=O)Nc2cccc(F)c2)c1	ZINC000852306510	GF	On-Demand	Mild	KCNK9	49	41
C=CCCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306512	DF	On-Demand	Mild	SIGMAR1	40	39
C=CCCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306512	DF	On-Demand	Mild	NPFFR2	39	41
C=CCCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306512	DF	On-Demand	Mild	NPFFR1	50	44
C=CCCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306513	DF	On-Demand	Mild	SIGMAR1	40	39
C=CCCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306513	DF	On-Demand	Mild	NPFFR2	39	41
C=CCCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306513	DF	On-Demand	Mild	NPFFR1	50	44
C[C@@]1(CNC(=O)N[C@@H](CO)C2CCC2)CCN(Cc2ccccc2)C1	ZINC000852306515	EE	On-Demand	Anodyne	DRD4	16	40
C[C@@]1(CNC(=O)N[C@@H](CO)C2CCC2)CCN(Cc2ccccc2)C1	ZINC000852306515	EE	On-Demand	Anodyne	BIRC2	20	40
C[C@@]1(CNC(=O)N[C@@H](CO)C2CCC2)CCN(Cc2ccccc2)C1	ZINC000852306515	EE	On-Demand	Anodyne	NPFFR1	44	38
C[C@@]1(CNC(=O)N[C@H](CO)C2CCC2)CCN(Cc2ccccc2)C1	ZINC000852306516	EE	On-Demand	Anodyne	DRD4	16	40
C[C@@]1(CNC(=O)N[C@H](CO)C2CCC2)CCN(Cc2ccccc2)C1	ZINC000852306516	EE	On-Demand	Anodyne	BIRC2	20	40
C[C@@]1(CNC(=O)N[C@H](CO)C2CCC2)CCN(Cc2ccccc2)C1	ZINC000852306516	EE	On-Demand	Anodyne	NPFFR1	44	38
C[C@@]1(CNC(=O)NCc2ncccn2)CCN(Cc2ccccc2)C1	ZINC000852306520	EE	On-Demand	Anodyne	ACHE	15	40
C[C@@]1(CNC(=O)NCc2ncccn2)CCN(Cc2ccccc2)C1	ZINC000852306520	EE	On-Demand	Anodyne	NPFFR2	39	41
C[C@@]1(CNC(=O)NCc2ncccn2)CCN(Cc2ccccc2)C1	ZINC000852306520	EE	On-Demand	Anodyne	NPFFR1	50	41
C[C@@]1(CNC(=O)NCC[C@@]2(C)CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852306530	FH	On-Demand	Anodyne	NPFFR1	48	42
C[C@@]1(CNC(=O)NCC[C@]2(C)CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852306531	FH	On-Demand	Anodyne	NPFFR1	48	42
C[C@@]1(CNC(=O)N2CCN([C@@H]3CCOC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306542	GE	On-Demand	Anodyne	SIGMAR1	42	37
C[C@@]1(CNC(=O)N2CCN([C@H]3CCOC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306544	GE	On-Demand	Anodyne	SIGMAR1	42	37
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1	ZINC000852306550	JI	On-Demand	Mild	GRIN2B	44	41
CCN(Cc1cc(=O)oc2cc(O)ccc12)[C@H](C)C(=O)OC(C)(C)C	ZINC000852306556	EG	On-Demand	Anodyne	MAOB	24	42
CCN(Cc1cc(=O)oc2cc(O)ccc12)[C@H](C)C(=O)OC(C)(C)C	ZINC000852306556	EG	On-Demand	Anodyne	HSD17B3	35	54
CCN(Cc1cc(=O)oc2cc(O)ccc12)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852306557	EG	On-Demand	Anodyne	MAOB	24	42
CCN(Cc1cc(=O)oc2cc(O)ccc12)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852306557	EG	On-Demand	Anodyne	HSD17B3	35	54
COc1ccc(N2CC[C@H](NC(=O)NCC3([S@@](C)=O)CCC3)C2)cc1	ZINC000852306559	FD	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NCC3([S@@](C)=O)CCC3)C2)cc1	ZINC000852306559	FD	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)NCC3([S@](C)=O)CCC3)C2)cc1	ZINC000852306561	FD	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NCC3([S@](C)=O)CCC3)C2)cc1	ZINC000852306561	FD	On-Demand	Clean	MTNR1B	17	44
CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852306565	GE	On-Demand	Clean	EPHX2	15	46
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852306572	FE	On-Demand	Anodyne	SIGMAR1	44	41
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852306572	FE	On-Demand	Anodyne	NPFFR1	41	36
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852306573	FE	On-Demand	Anodyne	SIGMAR1	44	41
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852306573	FE	On-Demand	Anodyne	NPFFR1	41	36
C[C@@H]1Cc2ccccc2N1C(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000852306583	HH	On-Demand	Mild	DRD4	23	43
CCN(Cc1cn(Cc2ccccc2)nn1)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852306588	EF	On-Demand	Anodyne	KDM1A	15	40
CCN(Cc1cn(Cc2ccccc2)nn1)[C@H](C)C(=O)OC(C)(C)C	ZINC000852306589	EF	On-Demand	Anodyne	KDM1A	15	40
CC(=O)c1ccc(NC(=O)CN(C)CC(C)(C)NC(=O)OC(C)(C)C)cc1	ZINC000852306609	GG	On-Demand	Anodyne	LTA4H	22	45
CN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852306673	GG	On-Demand	Anodyne	SFRP1	46	35
COc1ccccc1CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852306675	GH	On-Demand	Anodyne	HTR1A	31	40
COc1ccccc1CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852306675	GH	On-Demand	Anodyne	DRD2	37	45
COc1ccccc1CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852306675	GH	On-Demand	Anodyne	DRD4	30	45
COc1ccccc1CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852306675	GH	On-Demand	Anodyne	DRD3	44	42
COc1ccccc1CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852306675	GH	On-Demand	Anodyne	HTR4	65	38
COc1ccccc1CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852306675	GH	On-Demand	Anodyne	HTR7	24	40
COc1ccccc1CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852306675	GH	On-Demand	Anodyne	MBTPS1	49	34
COc1ccccc1CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852306676	GH	On-Demand	Anodyne	HTR1A	31	40
COc1ccccc1CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852306676	GH	On-Demand	Anodyne	DRD2	37	45
COc1ccccc1CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852306676	GH	On-Demand	Anodyne	DRD4	30	45
COc1ccccc1CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852306676	GH	On-Demand	Anodyne	DRD3	44	42
COc1ccccc1CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852306676	GH	On-Demand	Anodyne	HTR4	65	38
COc1ccccc1CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852306676	GH	On-Demand	Anodyne	HTR7	24	40
COc1ccccc1CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852306676	GH	On-Demand	Anodyne	MBTPS1	49	34
C[C@@]1(CNC(=O)NCCC2SCCS2)CCN(Cc2ccccc2)C1	ZINC000852306704	GG	On-Demand	Anodyne	ACHE	23	42
C[C@@]1(CNC(=O)NCCC2SCCS2)CCN(Cc2ccccc2)C1	ZINC000852306704	GG	On-Demand	Anodyne	SIGMAR1	42	37
C[C@@]1(CNC(=O)NCCC2SCCS2)CCN(Cc2ccccc2)C1	ZINC000852306704	GG	On-Demand	Anodyne	NPFFR1	47	41
CN(C)S(=O)(=O)c1cccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000852306706	JE	On-Demand	Mild	TAAR1	28	45
C[C@@]1(CNC(=O)N[C@@H]2CCNC2=O)CCN(Cc2ccccc2)C1	ZINC000852306741	ED	On-Demand	Anodyne	NPFFR1	42	38
C[C@@]1(CNC(=O)N[C@H]2CCNC2=O)CCN(Cc2ccccc2)C1	ZINC000852306742	ED	On-Demand	Anodyne	NPFFR1	42	38
COCCN(CCF)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306749	FF	On-Demand	Anodyne	NPFFR1	41	36
COCCN(CCF)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852306750	FF	On-Demand	Anodyne	NPFFR1	41	36
C[C@@]1(CNC(=O)N2CCC([C@@H]3CCCCO3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306760	GH	On-Demand	Anodyne	NPFFR1	40	36
C[C@@]1(CNC(=O)N2CCC([C@H]3CCCCO3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306761	GH	On-Demand	Anodyne	NPFFR1	40	36
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1	ZINC000852306768	HG	On-Demand	Mild	NPY2R	41	31
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1	ZINC000852306768	HG	On-Demand	Mild	TAAR1	23	42
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	DRD2	16	45
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	DRD4	32	45
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	ACHE	47	45
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	OPRM1	22	40
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	HTR4	53	43
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	SIGMAR1	70	40
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	CCR3	49	39
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	CACNA1I	68	39
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CCN(Cc2ccccc2)C1	ZINC000852306773	GG	On-Demand	Anodyne	NPFFR1	45	39
O=C(C=NOCc1ccc(-n2cccn2)cc1)Nc1cccc(F)c1	ZINC000852306785	EG	On-Demand	Mild	AMP1_PLAFQ	54	42
CCN(Cc1ccc(-n2ccnc2)nc1)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852306797	EF	On-Demand	Anodyne	CYP26A1	42	36
CCN(Cc1ccc(-n2ccnc2)nc1)[C@H](C)C(=O)OC(C)(C)C	ZINC000852306798	EF	On-Demand	Anodyne	CYP26A1	42	36
C[C@@]1(CNC(=O)NCc2nc(C(N)=O)cs2)CCN(Cc2ccccc2)C1	ZINC000852306799	GD	On-Demand	Anodyne	NPFFR2	40	41
C[C@@]1(CNC(=O)NCc2nc(C(N)=O)cs2)CCN(Cc2ccccc2)C1	ZINC000852306799	GD	On-Demand	Anodyne	NPFFR1	50	41
C[C@@]1(CNC(=O)N2CCC[C@H](CC#N)C2)CCN(Cc2ccccc2)C1	ZINC000852306801	FG	On-Demand	Mild	NPFFR1	41	37
COc1ccccc1CONC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852306911	GE	On-Demand	Anodyne	HTR4	40	36
COc1ccccc1CONC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852306911	GE	On-Demand	Anodyne	CCR3	24	45
COc1ccccc1CONC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852306911	GE	On-Demand	Anodyne	MBTPS1	48	31
CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852306936	GG	On-Demand	Bother	MMP8	15	48
CN(Cc1cn(Cc2ccccc2)nn1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852306952	FG	On-Demand	Anodyne	KDM1A	15	40
COc1ccc(N2CC[C@H](NC(=O)NOCc3ccccc3OC)C2)cc1	ZINC000852306954	FF	On-Demand	Clean	DRD2	17	40
COc1ccc(N2CC[C@H](NC(=O)NOCc3ccccc3OC)C2)cc1	ZINC000852306954	FF	On-Demand	Clean	CCR3	20	41
COc1ccc(N2CC[C@H](NC(=O)NOCc3ccccc3OC)C2)cc1	ZINC000852306954	FF	On-Demand	Clean	MTNR1A	16	46
C[C@@]1(CNC(=O)N2CCC[C@@H](CC#N)C2)CCN(Cc2ccccc2)C1	ZINC000852306956	FG	On-Demand	Mild	NPFFR1	41	37
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	DRD2	29	52
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	DRD4	44	52
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	ACHE	49	49
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	DRD3	25	47
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	HTR4	68	49
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	SIGMAR1	39	51
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	SSTR5	63	35
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	CCR3	55	43
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	MCHR1	26	44
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	CACNA1I	59	39
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	CCR8	29	40
COc1ccccc1CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852306973	GF	On-Demand	Anodyne	MBTPS1	53	41
C[C@@]1(CNC(=O)NCCO[C@@H]2CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852306994	FF	On-Demand	Anodyne	NPFFR1	44	39
C[C@@]1(CNC(=O)NCCO[C@H]2CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852306998	FF	On-Demand	Anodyne	NPFFR1	44	39
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852307024	JD	On-Demand	Bother	DRD4	25	42
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852307024	JD	On-Demand	Bother	ACHE	16	54
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852307024	JD	On-Demand	Bother	SIGMAR1	19	48
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852307026	JD	On-Demand	Bother	DRD4	25	42
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852307026	JD	On-Demand	Bother	ACHE	16	54
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852307026	JD	On-Demand	Bother	SIGMAR1	19	48
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852307028	JD	On-Demand	Bother	DRD4	25	42
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852307028	JD	On-Demand	Bother	ACHE	16	54
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852307028	JD	On-Demand	Bother	SIGMAR1	19	48
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852307030	JD	On-Demand	Bother	DRD4	25	42
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852307030	JD	On-Demand	Bother	ACHE	16	54
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852307030	JD	On-Demand	Bother	SIGMAR1	19	48
CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307062	GG	On-Demand	Bother	COLA	40	39
C[C@@]1(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1(F)F	ZINC000852307098	FG	On-Demand	Anodyne	SIGMAR1	42	39
C[C@@]1(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1(F)F	ZINC000852307098	FG	On-Demand	Anodyne	NPFFR2	40	42
C[C@@]1(CNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1(F)F	ZINC000852307098	FG	On-Demand	Anodyne	NPFFR1	50	42
C[C@@]1(CNC(=O)NC[C@]2(C)CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852307100	FG	On-Demand	Anodyne	SIGMAR1	42	39
C[C@@]1(CNC(=O)NC[C@]2(C)CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852307100	FG	On-Demand	Anodyne	NPFFR2	40	42
C[C@@]1(CNC(=O)NC[C@]2(C)CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852307100	FG	On-Demand	Anodyne	NPFFR1	50	42
C[C@@]1(CNC(=O)NC[C@@]2(C)CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852307150	FG	On-Demand	Anodyne	SIGMAR1	42	39
C[C@@]1(CNC(=O)NC[C@@]2(C)CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852307150	FG	On-Demand	Anodyne	NPFFR2	40	42
C[C@@]1(CNC(=O)NC[C@@]2(C)CC2(F)F)CCN(Cc2ccccc2)C1	ZINC000852307150	FG	On-Demand	Anodyne	NPFFR1	50	42
C[C@@]1(CNC(=O)NCCc2ccoc2)CCN(Cc2ccccc2)C1	ZINC000852307152	EG	On-Demand	Anodyne	NPFFR1	48	41
CCOC(=O)[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852307216	GG	On-Demand	Anodyne	SLC6A3	16	41
CCOC(=O)[C@@H]1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852307217	GG	On-Demand	Anodyne	SLC6A3	16	41
CCO[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852307248	EF	On-Demand	Anodyne	SIGMAR1	39	40
CCO[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852307248	EF	On-Demand	Anodyne	TIMP3	71	36
CCO[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852307248	EF	On-Demand	Anodyne	NPFFR1	45	38
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852307249	EF	On-Demand	Anodyne	SIGMAR1	39	40
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852307249	EF	On-Demand	Anodyne	TIMP3	71	36
CCO[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1	ZINC000852307249	EF	On-Demand	Anodyne	NPFFR1	45	38
COc1cccc(OC)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307253	GG	On-Demand	Anodyne	HTR1A	24	42
COc1cccc(OC)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307253	GG	On-Demand	Anodyne	DRD2	30	42
COc1cccc(OC)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307253	GG	On-Demand	Anodyne	DRD4	34	40
COc1cccc(OC)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307253	GG	On-Demand	Anodyne	SIGMAR1	46	45
COc1cccc(OC)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307253	GG	On-Demand	Anodyne	KCNA3	42	36
COc1cccc(OC)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307253	GG	On-Demand	Anodyne	NPFFR2	37	46
COc1cccc(OC)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307253	GG	On-Demand	Anodyne	NPFFR1	49	46
COc1cccc(OC)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307255	GG	On-Demand	Anodyne	HTR1A	24	42
COc1cccc(OC)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307255	GG	On-Demand	Anodyne	DRD2	30	42
COc1cccc(OC)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307255	GG	On-Demand	Anodyne	DRD4	34	40
COc1cccc(OC)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307255	GG	On-Demand	Anodyne	SIGMAR1	46	45
COc1cccc(OC)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307255	GG	On-Demand	Anodyne	KCNA3	42	36
COc1cccc(OC)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307255	GG	On-Demand	Anodyne	NPFFR2	37	46
COc1cccc(OC)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307255	GG	On-Demand	Anodyne	NPFFR1	49	46
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852307268	GE	On-Demand	Clean	MTNR1A	18	48
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852307268	GE	On-Demand	Clean	MTNR1B	18	48
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852307268	GE	On-Demand	Clean	MMP3	18	42
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852307268	GE	On-Demand	Clean	EPHX2	24	45
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852307269	GE	On-Demand	Clean	MTNR1A	18	48
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852307269	GE	On-Demand	Clean	MTNR1B	18	48
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852307269	GE	On-Demand	Clean	MMP3	18	42
CCOC(=O)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852307269	GE	On-Demand	Clean	EPHX2	24	45
CN(C[C@@H](O)c1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307277	DF	On-Demand	Anodyne	AOC3	21	43
CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307294	GG	On-Demand	Bother	COLA	66	40
CCN(Cc1nc2ccccc2[nH]1)[C@H](C)C(=O)OC(C)(C)C	ZINC000852307337	DG	On-Demand	Anodyne	CXCR4	29	44
CCN(Cc1nc2ccccc2[nH]1)[C@H](C)C(=O)OC(C)(C)C	ZINC000852307337	DG	On-Demand	Anodyne	PIN1	36	42
CCN(Cc1nc2ccccc2[nH]1)[C@H](C)C(=O)OC(C)(C)C	ZINC000852307337	DG	On-Demand	Anodyne	CACNA1G	22	40
CCN(Cc1nc2ccccc2[nH]1)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852307338	DG	On-Demand	Anodyne	CXCR4	29	44
CCN(Cc1nc2ccccc2[nH]1)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852307338	DG	On-Demand	Anodyne	PIN1	36	42
CCN(Cc1nc2ccccc2[nH]1)[C@@H](C)C(=O)OC(C)(C)C	ZINC000852307338	DG	On-Demand	Anodyne	CACNA1G	22	40
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1Cl	ZINC000852307344	HH	On-Demand	Mild	KCNQ2	70	42
Cc1cccc(C(=O)NNC(=O)CN(C)CC(C)(C)NC(=O)OC(C)(C)C)c1	ZINC000852307406	GD	On-Demand	Reactive	KCNK3	54	37
Cc1cccc(C(=O)NNC(=O)CN(C)CC(C)(C)NC(=O)OC(C)(C)C)c1	ZINC000852307406	GD	On-Demand	Reactive	KCNK9	44	37
Cc1cncc(CCNC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)n1	ZINC000852307456	FF	On-Demand	Anodyne	NPFFR1	46	38
Cc1cncc(CCNC(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)n1	ZINC000852307458	FF	On-Demand	Anodyne	NPFFR1	46	38
CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)C(=O)OC(C)(C)C	ZINC000852307463	EG	On-Demand	Bother	COLA	117	42
CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)OC(C)(C)C	ZINC000852307464	EG	On-Demand	Bother	COLA	117	42
C[C@@]1(CNC(=O)N[C@H]2C=CCC2)CCN(Cc2ccccc2)C1	ZINC000852307471	DF	On-Demand	Anodyne	DRD4	23	44
C[C@@]1(CNC(=O)N[C@H]2C=CCC2)CCN(Cc2ccccc2)C1	ZINC000852307471	DF	On-Demand	Anodyne	SIGMAR1	43	40
C[C@@]1(CNC(=O)N[C@H]2C=CCC2)CCN(Cc2ccccc2)C1	ZINC000852307471	DF	On-Demand	Anodyne	NPFFR1	48	39
C[C@@]1(CNC(=O)N[C@@H]2C=CCC2)CCN(Cc2ccccc2)C1	ZINC000852307473	DF	On-Demand	Anodyne	DRD4	23	44
C[C@@]1(CNC(=O)N[C@@H]2C=CCC2)CCN(Cc2ccccc2)C1	ZINC000852307473	DF	On-Demand	Anodyne	SIGMAR1	43	40
C[C@@]1(CNC(=O)N[C@@H]2C=CCC2)CCN(Cc2ccccc2)C1	ZINC000852307473	DF	On-Demand	Anodyne	NPFFR1	48	39
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307479	FH	On-Demand	Anodyne	ACHE	20	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307479	FH	On-Demand	Anodyne	SIGMAR1	53	41
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307479	FH	On-Demand	Anodyne	NPFFR1	42	37
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307480	FH	On-Demand	Anodyne	ACHE	20	40
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307480	FH	On-Demand	Anodyne	SIGMAR1	53	41
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307480	FH	On-Demand	Anodyne	NPFFR1	42	37
COc1ccccc1CONC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852307502	DE	On-Demand	Anodyne	MBTPS1	52	34
COc1ccccc1CONC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852307503	DE	On-Demand	Anodyne	MBTPS1	52	34
COc1ccccc1CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852307522	FF	On-Demand	Anodyne	SCN2A	18	42
COc1ccccc1CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852307522	FF	On-Demand	Anodyne	SCN10A	19	44
C[C@@]1(CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)CCN(Cc2ccccc2)C1	ZINC000852307551	GG	On-Demand	Anodyne	CACNA1G	21	41
C[C@@]1(CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)CCN(Cc2ccccc2)C1	ZINC000852307551	GG	On-Demand	Anodyne	NPFFR1	40	36
C[C@H](C(=O)Nc1nccs1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307568	FF	On-Demand	Anodyne	MAP1	111	38
C[C@@H](C(=O)Nc1nccs1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307570	FF	On-Demand	Anodyne	MAP1	111	38
Cn1ncc(C2CCC2)c1CNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307571	GG	On-Demand	Anodyne	NPFFR1	40	36
Cn1ncc(C2CCC2)c1CNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1	ZINC000852307573	GG	On-Demand	Anodyne	NPFFR1	40	36
CC[C@@H](C)CCNC(=O)NOCc1ccccc1OC	ZINC000852307574	CF	On-Demand	Anodyne	CAPN1	23	42
CC[C@@H](C)CCNC(=O)NOCc1ccccc1OC	ZINC000852307574	CF	On-Demand	Anodyne	CAPN2	56	33
COc1ccccc1CONC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852307577	FE	On-Demand	Anodyne	TSHR	40	29
COc1ccccc1CONC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852307577	FE	On-Demand	Anodyne	ANPEP	17	44
COc1ccccc1CONC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852307577	FE	On-Demand	Anodyne	MTNR1A	26	43
COc1ccccc1CONC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852307577	FE	On-Demand	Anodyne	MTNR1B	28	40
O=C(NCCN1CCC2(CCCCC2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852307623	GE	On-Demand	Reactive	PLD2	63	36
O=C(NCCN1CCC2(CCCCC2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852307623	GE	On-Demand	Reactive	HCN1	51	33
O=C(NCCN1CCC2(CCCCC2)CC1)NNC(=O)c1cccc(F)n1	ZINC000852307623	GE	On-Demand	Reactive	HCN4	49	33
O=C(NCCN1CCC2(CCCCC2)CC1)NCc1ncccn1	ZINC000852307625	EE	On-Demand	Anodyne	UTS2R	16	40
O=C(NCCN1CCC2(CCCCC2)CC1)NCc1ncccn1	ZINC000852307625	EE	On-Demand	Anodyne	PLD2	54	34
CC(=O)Nc1cccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000852307639	IG	On-Demand	Mild	TAAR1	41	50
CN(CCC(=O)Nc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307647	EG	On-Demand	Anodyne	LTA4H	37	41
CN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307659	GE	On-Demand	Anodyne	ACR	53	36
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCN(C)C(C)(C)C3)C2)cc1	ZINC000852307663	GD	On-Demand	Clean	DRD4	47	38
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307694	GG	On-Demand	Bother	COLA	68	47
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(F)c1	ZINC000852307736	GG	On-Demand	Mild	TAAR1	38	47
CN(CCC(=O)Nc1ccc2c(c1)OCO2)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307743	GF	On-Demand	Anodyne	DYRK2	52	31
CN(C[C@H](O)COc1cccc2[nH]ccc12)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307744	GG	On-Demand	Anodyne	ADRB1	20	55
CN(C[C@@H](O)COc1cccc2[nH]ccc12)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307745	GG	On-Demand	Anodyne	ADRB1	20	55
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307765	GG	On-Demand	Bother	COLA	124	46
COc1ccc2c(CN(C)CC(C)(C)NC(=O)OC(C)(C)C)cc(=O)oc2c1	ZINC000852307793	GH	On-Demand	Anodyne	MAOB	29	42
CN(CC(=O)NC(=O)Nc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307813	GF	On-Demand	Anodyne	LTA4H	22	42
CN(CC(=O)NC(=O)Nc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307813	GF	On-Demand	Anodyne	CA1	40	36
Cc1ccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1F	ZINC000852307832	HH	On-Demand	Mild	NPY2R	50	31
Cc1ccc(NC(=O)CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1F	ZINC000852307832	HH	On-Demand	Mild	TAAR1	22	42
CSc1ccc(NC(=O)CN(C)CC(C)(C)NC(=O)OC(C)(C)C)cc1	ZINC000852307860	GH	On-Demand	Anodyne	LTA4H	19	41
CN(CC(=O)NC(=O)NCc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307869	GE	On-Demand	Anodyne	CTSB	19	40
CN(CC(=O)NC(=O)NCc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307869	GE	On-Demand	Anodyne	PDS	52	35
CN(CC(=O)NCC#N)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307892	CC	On-Demand	Mild	PAPA1_CARPA	33	42
CN(Cc1ccc2ccccc2n1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307920	EH	On-Demand	Anodyne	CYSLTR1	37	41
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)NCc1cccc(Cl)c1	ZINC000852307941	HH	On-Demand	Mild	KCNQ2	19	41
CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307955	GF	On-Demand	Bother	MMP8	17	42
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(I)c1	ZINC000852307975	JH	On-Demand	Mild	TAAR1	36	47
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21	ZINC000852308052	HH	On-Demand	Mild	BDKRB1	46	36
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21	ZINC000852308053	HH	On-Demand	Mild	BDKRB1	46	36
C[C@H](C(=O)Nc1ccccc1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308085	EG	On-Demand	Anodyne	PAPA1_CARPA	30	41
C[C@H](C(=O)Nc1ccccc1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308085	EG	On-Demand	Anodyne	FPR1	46	37
O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852308112	GE	On-Demand	Anodyne	PLD1	43	34
O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852308112	GE	On-Demand	Anodyne	PLD2	44	34
O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852308113	GE	On-Demand	Anodyne	PLD1	43	34
O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852308113	GE	On-Demand	Anodyne	PLD2	44	34
CN(Cc1cnc2ccnn2c1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308211	EE	On-Demand	Anodyne	DDR1	58	34
CN(Cc1nc2ccccc2[nH]1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308230	EG	On-Demand	Anodyne	CACNA1G	22	42
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1OC(F)F	ZINC000852308256	IH	On-Demand	Mild	KCNQ2	62	36
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1OC(F)F	ZINC000852308256	IH	On-Demand	Mild	TAAR1	17	41
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)Nc1cc(Cl)ccc1F	ZINC000852308321	JJ	On-Demand	Anodyne	DPP8	64	33
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)Nc1cc(Cl)ccc1F	ZINC000852308321	JJ	On-Demand	Anodyne	DPP9	64	33
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)Nc1cc(Cl)ccc1F	ZINC000852308322	JJ	On-Demand	Anodyne	DPP8	64	33
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)Nc1cc(Cl)ccc1F	ZINC000852308322	JJ	On-Demand	Anodyne	DPP9	64	33
C[C@@H](C(=O)N(C)c1ccccc1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308372	FG	On-Demand	Anodyne	FPR1	44	37
C[C@H](C(=O)N(C)c1ccccc1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308373	FG	On-Demand	Anodyne	FPR1	44	37
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3OC)C2)cc1	ZINC000852308427	EF	On-Demand	Clean	PARE	53	31
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccccc1-c1ccccc1	ZINC000852308432	IJ	On-Demand	Mild	KCNQ2	66	37
COC(=O)c1sccc1NC(=O)CN(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308472	GF	On-Demand	Anodyne	FAS	47	55
CN(C[C@H](O)COc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308529	FF	On-Demand	Anodyne	ADRB2	27	50
CN(C[C@H](O)COc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308529	FF	On-Demand	Anodyne	ABCB1	24	44
CN(C[C@H](O)COc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308529	FF	On-Demand	Anodyne	PDS	58	37
CN(C[C@@H](O)COc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308530	FF	On-Demand	Anodyne	ADRB2	27	50
CN(C[C@@H](O)COc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308530	FF	On-Demand	Anodyne	ABCB1	24	44
CN(C[C@@H](O)COc1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308530	FF	On-Demand	Anodyne	PDS	58	37
CN(C[C@H](O)COc1ccccc1F)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308590	FF	On-Demand	Anodyne	ABCB1	17	41
CN(C[C@@H](O)COc1ccccc1F)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308591	FF	On-Demand	Anodyne	ABCB1	17	41
CC(C)c1cccc(C(C)C)c1NC(=O)CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000852308594	JK	On-Demand	Mild	TAAR1	22	45
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(OC(F)F)cc1	ZINC000852308609	IH	On-Demand	Mild	TAAR1	15	41
C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308682	GG	On-Demand	Anodyne	CTSB	33	48
C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308682	GG	On-Demand	Anodyne	FPR1	47	38
C[C@H](C(=O)N(C)Cc1ccccc1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308683	GG	On-Demand	Anodyne	CTSB	33	48
C[C@H](C(=O)N(C)Cc1ccccc1)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308683	GG	On-Demand	Anodyne	FPR1	47	38
Nn1c(SCC(=O)NCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1Cl	ZINC000852308752	ID	On-Demand	Anodyne	ALPL	43	35
Nn1c(SCC(=O)NCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1Cl	ZINC000852308752	ID	On-Demand	Anodyne	DPP8	45	38
Nn1c(SCC(=O)NCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1Cl	ZINC000852308752	ID	On-Demand	Anodyne	DPP9	46	38
COc1ccc(N2CC[C@H](NC(=O)NCC3([S@@](C)=O)CC3)C2)cc1	ZINC000852308784	FD	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCC3([S@@](C)=O)CC3)C2)cc1	ZINC000852308784	FD	On-Demand	Clean	MTNR1B	18	45
COc1ccc(N2CC[C@H](NC(=O)NCC3([S@](C)=O)CC3)C2)cc1	ZINC000852308785	FD	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCC3([S@](C)=O)CC3)C2)cc1	ZINC000852308785	FD	On-Demand	Clean	MTNR1B	18	45
CN(CC(=O)N(CCC#N)c1ccccc1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308826	GG	On-Demand	Mild	CTSB	15	43
COc1ccccc1NC(=O)[C@H](C)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308949	GG	On-Demand	Anodyne	COLA	15	42
COc1ccccc1NC(=O)[C@@H](C)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308950	GG	On-Demand	Anodyne	COLA	15	42
Nn1c(SCC(=O)NCCc2cnn(-c3ccccc3)c2)nnc1-c1ccc(Cl)cc1Cl	ZINC000852309218	JH	On-Demand	Anodyne	DPP8	54	38
Nn1c(SCC(=O)NCCc2cnn(-c3ccccc3)c2)nnc1-c1ccc(Cl)cc1Cl	ZINC000852309218	JH	On-Demand	Anodyne	DPP9	46	38
Cn1ncc(C2CCC2)c1CNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309233	FG	On-Demand	Anodyne	P2RX7	23	42
Cn1ncc(C2CCC2)c1CNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309234	FG	On-Demand	Anodyne	P2RX7	23	42
COC1CC(CCNC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1	ZINC000852309247	DF	On-Demand	Anodyne	CA7	15	43
COC1CC(CCNC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1	ZINC000852309248	DF	On-Demand	Anodyne	CA7	15	43
O=C(NCCc1ccoc1)NCCS(=O)(=O)CCc1ccccc1	ZINC000852309256	FD	On-Demand	Anodyne	CA5B	15	40
O=C(N[C@H]1Cc2ccc(Cl)cc2C1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852309260	DG	On-Demand	Anodyne	CA7	15	41
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852309261	DG	On-Demand	Anodyne	CA7	15	41
N#Cc1ccc(CCNC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1	ZINC000852309266	GE	On-Demand	Mild	CA2	15	43
N#Cc1ccc(CCNC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1	ZINC000852309266	GE	On-Demand	Mild	CA1	15	43
N#Cc1ccc(CCNC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1	ZINC000852309266	GE	On-Demand	Mild	CA5B	17	42
N#Cc1ccc(CCNC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1	ZINC000852309266	GE	On-Demand	Mild	CA5A	15	43
Fc1cccc(-c2nnc(CN[C@H]3CCCC34CCCCC4)o2)c1	ZINC000852309285	EI	On-Demand	Anodyne	CYP73A16	15	46
Fc1cccc(-c2nnc(CN[C@@H]3CCCC34CCCCC4)o2)c1	ZINC000852309286	EI	On-Demand	Anodyne	CYP73A16	15	46
O=C(NCCN1C[C@H]2CCCCN2C1=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309301	GE	On-Demand	Anodyne	P2RX7	18	41
O=C(NCCN1C[C@H]2CCCCN2C1=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309302	GE	On-Demand	Anodyne	P2RX7	18	41
O=C(NCCN1C[C@@H]2CCCCN2C1=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309303	GE	On-Demand	Anodyne	P2RX7	18	41
O=C(NCCN1C[C@@H]2CCCCN2C1=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309304	GE	On-Demand	Anodyne	P2RX7	18	41
COCc1csc(CNC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)c1	ZINC000852309323	FH	On-Demand	Anodyne	CA7	15	40
COCc1csc(CNC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)c1	ZINC000852309324	FH	On-Demand	Anodyne	CA7	15	40
O=C1OCC[C@H]1N[C@H]1CCCC12CCCCC2	ZINC000852309337	BE	On-Demand	Anodyne	LUXR	56	35
O=C1OCC[C@H]1N[C@H]1CCCC12CCCCC2	ZINC000852309337	BE	On-Demand	Anodyne	TRAR	75	35
O=C1OCC[C@H]1N[C@H]1CCCC12CCCCC2	ZINC000852309337	BE	On-Demand	Anodyne	LASR	52	33
O=C1OCC[C@@H]1N[C@@H]1CCCC12CCCCC2	ZINC000852309338	BE	On-Demand	Anodyne	LUXR	56	35
O=C1OCC[C@@H]1N[C@@H]1CCCC12CCCCC2	ZINC000852309338	BE	On-Demand	Anodyne	TRAR	75	35
O=C1OCC[C@@H]1N[C@@H]1CCCC12CCCCC2	ZINC000852309338	BE	On-Demand	Anodyne	LASR	52	33
O=C1OCC[C@@H]1N[C@H]1CCCC12CCCCC2	ZINC000852309339	BE	On-Demand	Anodyne	LUXR	56	35
O=C1OCC[C@@H]1N[C@H]1CCCC12CCCCC2	ZINC000852309339	BE	On-Demand	Anodyne	TRAR	75	35
O=C1OCC[C@@H]1N[C@H]1CCCC12CCCCC2	ZINC000852309339	BE	On-Demand	Anodyne	LASR	52	33
O=C1OCC[C@H]1N[C@@H]1CCCC12CCCCC2	ZINC000852309340	BE	On-Demand	Anodyne	LUXR	56	35
O=C1OCC[C@H]1N[C@@H]1CCCC12CCCCC2	ZINC000852309340	BE	On-Demand	Anodyne	TRAR	75	35
O=C1OCC[C@H]1N[C@@H]1CCCC12CCCCC2	ZINC000852309340	BE	On-Demand	Anodyne	LASR	52	33
O=C(NCCO[C@@H]1CC1(F)F)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309341	EF	On-Demand	Anodyne	CA7	15	40
O=C(NCCO[C@H]1CC1(F)F)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309342	EF	On-Demand	Anodyne	CA7	15	40
O=C(NCCO[C@@H]1CC1(F)F)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309343	EF	On-Demand	Anodyne	CA7	15	40
O=C(NCCO[C@H]1CC1(F)F)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309344	EF	On-Demand	Anodyne	CA7	15	40
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309391	FG	On-Demand	Anodyne	SIGMAR1	16	45
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309391	FG	On-Demand	Anodyne	CACNA1I	82	42
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309392	FG	On-Demand	Anodyne	SIGMAR1	16	45
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309392	FG	On-Demand	Anodyne	CACNA1I	82	42
O=C(CN[C@H]1CCCC12CCCCC2)Nc1cccnc1Cl	ZINC000852309403	DH	On-Demand	Anodyne	G2YM83_BOTF4	72	35
O=C(CN[C@@H]1CCCC12CCCCC2)Nc1cccnc1Cl	ZINC000852309404	DH	On-Demand	Anodyne	G2YM83_BOTF4	72	35
O=C(NCC1CCN(C2CCOCC2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309413	GF	On-Demand	Anodyne	CACNA1I	61	37
O=C(NCC1CCN(C2CCOCC2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309414	GF	On-Demand	Anodyne	CACNA1I	61	37
CCO[C@@H]1C[C@@H](NC(=O)NCCS(=O)(=O)CCc2ccccc2)C1	ZINC000852309415	FD	On-Demand	Anodyne	TIMP3	53	31
O=C(N[C@H]1Cc2ccc(Cl)cc2C1)N[C@H]1C=CCC1	ZINC000852309447	CF	On-Demand	Anodyne	CA7	15	44
O=C(N[C@@H]1C=CCC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309448	CF	On-Demand	Anodyne	CA7	15	44
O=C(N[C@H]1C=CCC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309449	CF	On-Demand	Anodyne	CA7	15	44
O=C(N[C@@H]1C=CCC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309450	CF	On-Demand	Anodyne	CA7	15	44
O=C(N[C@H]1Cc2ccc(Cl)cc2C1)N1CCc2nccnc2C1	ZINC000852309453	EE	On-Demand	Anodyne	MAPK1	46	35
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)N1CCc2nccnc2C1	ZINC000852309454	EE	On-Demand	Anodyne	MAPK1	46	35
CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc2ncccc12	ZINC000852309501	GF	On-Demand	Anodyne	GPR119	36	40
CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc2ncccc12	ZINC000852309501	GF	On-Demand	Anodyne	Q6PRC7_IXORI	21	40
C[C@@H](N[C@H]1CCCC12CCCCC2)C(=O)Nc1cccnc1Cl	ZINC000852309517	EI	On-Demand	Anodyne	G2YM83_BOTF4	71	36
C[C@@H](N[C@@H]1CCCC12CCCCC2)C(=O)Nc1cccnc1Cl	ZINC000852309518	EI	On-Demand	Anodyne	G2YM83_BOTF4	71	36
COC(=O)c1nc(CNC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)ccc1Cl	ZINC000852309538	GG	On-Demand	Anodyne	CA7	15	40
COC(=O)c1nc(CNC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)ccc1Cl	ZINC000852309542	GG	On-Demand	Anodyne	CA7	15	40
CCSCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852309622	EF	On-Demand	Clean	MTNR1A	18	48
CCSCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852309622	EF	On-Demand	Clean	MTNR1B	15	48
CCSCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852309623	EF	On-Demand	Clean	MTNR1A	18	48
CCSCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852309623	EF	On-Demand	Clean	MTNR1B	15	48
O=C(NC1CCC2(CC1)CC2(F)F)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309628	FI	On-Demand	Anodyne	CA7	15	40
O=C(NC1CCC2(CC1)CC2(F)F)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309629	FI	On-Demand	Anodyne	CA7	15	40
O=C(NCc1ncccn1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309630	DE	On-Demand	Anodyne	CA7	15	40
O=C(NCc1ncccn1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309631	DE	On-Demand	Anodyne	CA7	15	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1	ZINC000852309634	EE	On-Demand	Anodyne	CA7	15	42
COC(=O)[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1	ZINC000852309635	EE	On-Demand	Anodyne	CA7	15	42
CC[C@@H](NC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)C1CC1	ZINC000852309640	CG	On-Demand	Anodyne	CA7	16	41
CC[C@@H](NC(=O)N[C@H]1Cc2ccc(Cl)cc2C1)C1CC1	ZINC000852309641	CG	On-Demand	Anodyne	CA7	16	41
O=C(CN[C@H]1CCCC12CCCCC2)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852309679	FE	On-Demand	Reactive	CACNA1D	42	32
O=C(CN[C@@H]1CCCC12CCCCC2)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852309680	FE	On-Demand	Reactive	CACNA1D	42	32
O=C(NCCC1SCCS1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309696	EG	On-Demand	Anodyne	CA7	15	41
O=C(NCCC1SCCS1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309697	EG	On-Demand	Anodyne	CA7	15	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309715	DH	On-Demand	Mild	CA7	15	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309716	DH	On-Demand	Mild	CA7	15	40
COCCN(CCF)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309719	DE	On-Demand	Anodyne	CA7	15	42
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	CNR1	22	57
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	DRD4	42	47
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	ACHE	17	41
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	CHRM3	18	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	MC4R	19	45
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	SIGMAR1	27	47
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	CCR2	16	43
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	MCHR1	33	49
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	DPP8	56	35
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	DPP9	54	35
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309726	JH	On-Demand	Anodyne	BIRC2	33	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	CNR1	22	57
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	DRD4	42	47
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	ACHE	17	41
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	CHRM3	18	40
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	MC4R	19	45
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	SIGMAR1	27	47
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	CCR2	16	43
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	MCHR1	33	49
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	DPP8	56	35
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	DPP9	54	35
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309727	JH	On-Demand	Anodyne	BIRC2	33	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	CNR1	22	57
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	DRD4	42	47
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	ACHE	17	41
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	CHRM3	18	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	MC4R	19	45
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	SIGMAR1	27	47
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	CCR2	16	43
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	MCHR1	33	49
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	DPP8	56	35
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	DPP9	54	35
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852309728	JH	On-Demand	Anodyne	BIRC2	33	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	CNR1	22	57
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	DRD4	42	47
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	ACHE	17	41
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	CHRM3	18	40
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	MC4R	19	45
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	SIGMAR1	27	47
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	CCR2	16	43
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	MCHR1	33	49
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	DPP8	56	35
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	DPP9	54	35
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852309729	JH	On-Demand	Anodyne	BIRC2	33	40
COCCn1cc(CNC(=O)NNc2ccc(Cl)cn2)cn1	ZINC000852309730	DD	On-Demand	Reactive	F10	47	31
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852309736	JH	On-Demand	Anodyne	CNR1	17	41
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852309736	JH	On-Demand	Anodyne	MC4R	50	38
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852309737	JH	On-Demand	Anodyne	CNR1	17	41
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852309737	JH	On-Demand	Anodyne	MC4R	50	38
O=C(CCN[C@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852309823	GH	On-Demand	Anodyne	MTOR	62	35
O=C(CCN[C@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852309823	GH	On-Demand	Anodyne	STAT6	54	33
O=C(CCN[C@@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852309824	GH	On-Demand	Anodyne	MTOR	62	35
O=C(CCN[C@@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852309824	GH	On-Demand	Anodyne	STAT6	54	33
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309838	GE	On-Demand	Anodyne	CA7	17	43
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309839	GE	On-Demand	Anodyne	CA7	17	43
CC(C)(C)N1CC[C@H]1CNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309844	EF	On-Demand	Anodyne	CACNA1I	49	35
CC(C)(C)N1CC[C@H]1CNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309845	EF	On-Demand	Anodyne	CACNA1I	49	35
CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309846	EF	On-Demand	Anodyne	CACNA1I	49	35
CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309847	EF	On-Demand	Anodyne	CACNA1I	49	35
C[C@H]1CN(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC[C@@H](C)O1	ZINC000852309855	DG	On-Demand	Anodyne	CA7	16	40
C[C@H]1CN(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC[C@@H](C)O1	ZINC000852309856	DG	On-Demand	Anodyne	CA7	16	40
O=C(NC[C@H]1CCCN(CC2CC2)C1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852309887	FG	On-Demand	Anodyne	CACNA1I	45	33
O=C(NC[C@H]1CCCN(CC2CC2)C1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852309888	FG	On-Demand	Anodyne	CACNA1I	45	33
COc1cccc([C@]2(C)CCN(C(=O)NCc3cc(C)cc(Cl)n3)C2)c1	ZINC000852309930	FH	On-Demand	Anodyne	DRD4	42	32
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)cc(Cl)n3)C2)cc1	ZINC000852309992	FG	On-Demand	Clean	MCHR1	15	41
O=C(NCc1cnccc1C(F)(F)F)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310059	FH	On-Demand	Anodyne	P2RX7	53	34
O=C(NCc1cnccc1C(F)(F)F)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310060	FH	On-Demand	Anodyne	P2RX7	53	34
O=C(N[C@H]1CCNC1=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310076	CC	On-Demand	Anodyne	CA7	15	40
O=C(N[C@H]1Cc2ccc(Cl)cc2C1)N[C@@H]1CCNC1=O	ZINC000852310077	CC	On-Demand	Anodyne	CA7	15	40
O=C(N[C@H]1Cc2ccc(Cl)cc2C1)N[C@H]1CCNC1=O	ZINC000852310078	CC	On-Demand	Anodyne	CA7	15	40
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)N[C@@H]1CCNC1=O	ZINC000852310079	CC	On-Demand	Anodyne	CA7	15	40
Cn1ncc(C2CC2)c1CNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310084	EF	On-Demand	Anodyne	P2RX7	25	44
Cn1ncc(C2CC2)c1CNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310085	EF	On-Demand	Anodyne	P2RX7	25	44
CC(C)(C)N1CC[C@H](NC(=O)NCCS(=O)(=O)CCc2ccccc2)C1	ZINC000852310086	GD	On-Demand	Anodyne	EPHX2	19	47
CC(C)(C)N1CC[C@H](NC(=O)NCCS(=O)(=O)CCc2ccccc2)C1	ZINC000852310086	GD	On-Demand	Anodyne	SFRP1	40	31
CC(C)(C)N1CC[C@@H](NC(=O)NCCS(=O)(=O)CCc2ccccc2)C1	ZINC000852310087	GD	On-Demand	Anodyne	EPHX2	19	47
CC(C)(C)N1CC[C@@H](NC(=O)NCCS(=O)(=O)CCc2ccccc2)C1	ZINC000852310087	GD	On-Demand	Anodyne	SFRP1	40	31
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852310089	EE	On-Demand	Anodyne	DRD3	15	45
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852310089	EE	On-Demand	Anodyne	HDAC6	19	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852310091	EE	On-Demand	Anodyne	DRD3	15	45
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852310091	EE	On-Demand	Anodyne	HDAC6	19	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852310093	EE	On-Demand	Anodyne	DRD3	15	45
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852310093	EE	On-Demand	Anodyne	HDAC6	19	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852310096	EE	On-Demand	Anodyne	DRD3	15	45
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852310096	EE	On-Demand	Anodyne	HDAC6	19	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N[C@H]1C=CCC1	ZINC000852310100	DE	On-Demand	Anodyne	HDAC9	32	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N[C@H]1C=CCC1	ZINC000852310100	DE	On-Demand	Anodyne	HDAC7	31	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@@H]1C=CCC1	ZINC000852310101	DE	On-Demand	Anodyne	HDAC9	32	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@@H]1C=CCC1	ZINC000852310101	DE	On-Demand	Anodyne	HDAC7	31	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@H]1C=CCC1	ZINC000852310103	DE	On-Demand	Anodyne	HDAC9	32	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@H]1C=CCC1	ZINC000852310103	DE	On-Demand	Anodyne	HDAC7	31	40
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2CCCC23CCCCC3)cc1	ZINC000852310104	EH	On-Demand	Anodyne	ADRB2	35	44
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2CCCC23CCCCC3)cc1	ZINC000852310104	EH	On-Demand	Anodyne	ADRB1	49	43
O=C(/C=C\c1ccccc1)NCCCNC(=O)N[C@@H]1C=CCC1	ZINC000852310105	DE	On-Demand	Anodyne	HDAC9	32	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N[C@@H]1C=CCC1	ZINC000852310105	DE	On-Demand	Anodyne	HDAC7	31	40
CC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCCC23CCCCC3)cc1	ZINC000852310106	EH	On-Demand	Anodyne	ADRB2	35	44
CC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCCC23CCCCC3)cc1	ZINC000852310106	EH	On-Demand	Anodyne	ADRB1	49	43
CC(C)(C)N1CC[C@@H](NC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852310108	FE	On-Demand	Anodyne	DRD3	17	44
CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC23CCCCC3)cc1	ZINC000852310109	EH	On-Demand	Anodyne	ADRB2	35	44
CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC23CCCCC3)cc1	ZINC000852310109	EH	On-Demand	Anodyne	ADRB1	49	43
CC(C)(C)N1CC[C@H](NC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852310110	FE	On-Demand	Anodyne	DRD3	17	44
CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC23CCCCC3)cc1	ZINC000852310111	EH	On-Demand	Anodyne	ADRB2	35	44
CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC23CCCCC3)cc1	ZINC000852310111	EH	On-Demand	Anodyne	ADRB1	49	43
CC(C)(C)N1CC[C@@H](NC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852310112	FE	On-Demand	Anodyne	DRD3	17	44
CC(C)(C)N1CC[C@H](NC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852310114	FE	On-Demand	Anodyne	DRD3	17	44
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310125	FH	On-Demand	Anodyne	CA7	15	48
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310125	FH	On-Demand	Anodyne	MTTP	18	41
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310127	FH	On-Demand	Anodyne	CA7	15	48
COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310127	FH	On-Demand	Anodyne	MTTP	18	41
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310148	FG	On-Demand	Anodyne	P2RX7	33	40
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310148	FG	On-Demand	Anodyne	SCN2A	22	54
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310148	FG	On-Demand	Anodyne	EPHX2	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310148	FG	On-Demand	Anodyne	SCN10A	36	54
O=C(NCc1cccnc1N1CCCC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310150	FG	On-Demand	Anodyne	P2RX7	33	40
O=C(NCc1cccnc1N1CCCC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310150	FG	On-Demand	Anodyne	SCN2A	22	54
O=C(NCc1cccnc1N1CCCC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310150	FG	On-Demand	Anodyne	EPHX2	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310150	FG	On-Demand	Anodyne	SCN10A	36	54
O=C(NCCS(=O)(=O)CCc1ccccc1)NCc1ncccn1	ZINC000852310171	EC	On-Demand	Anodyne	NAMPT	32	40
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852310197	FD	On-Demand	Anodyne	HDAC2	18	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852310197	FD	On-Demand	Anodyne	HDAC4	15	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852310197	FD	On-Demand	Anodyne	HDAC6	16	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852310197	FD	On-Demand	Anodyne	HDAC9	33	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852310197	FD	On-Demand	Anodyne	HDAC7	40	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852310198	FD	On-Demand	Anodyne	HDAC2	18	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852310198	FD	On-Demand	Anodyne	HDAC4	15	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852310198	FD	On-Demand	Anodyne	HDAC6	16	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852310198	FD	On-Demand	Anodyne	HDAC9	33	43
COC(=O)N(C)CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852310198	FD	On-Demand	Anodyne	HDAC7	40	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3ccsc3)C2)cc1	ZINC000852310210	EG	On-Demand	Clean	NPBWR1	79	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccsc3)C2)cc1	ZINC000852310212	EG	On-Demand	Clean	NPBWR1	79	40
O=C(CN[C@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852310252	FH	On-Demand	Anodyne	MTOR	68	37
O=C(CN[C@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852310252	FH	On-Demand	Anodyne	TTK	20	45
O=C(CN[C@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852310252	FH	On-Demand	Anodyne	STAT6	55	34
O=C(CN[C@@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852310253	FH	On-Demand	Anodyne	MTOR	68	37
O=C(CN[C@@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852310253	FH	On-Demand	Anodyne	TTK	20	45
O=C(CN[C@@H]1CCCC12CCCCC2)Nc1ccc(N2CCOCC2)cc1	ZINC000852310253	FH	On-Demand	Anodyne	STAT6	55	34
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310317	GG	On-Demand	Anodyne	ACHE	28	42
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310317	GG	On-Demand	Anodyne	HTR4	30	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310317	GG	On-Demand	Anodyne	SIGMAR1	28	43
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310317	GG	On-Demand	Anodyne	SSTR5	50	37
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310317	GG	On-Demand	Anodyne	MCHR1	41	44
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310317	GG	On-Demand	Anodyne	CACNA1I	66	45
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310318	GG	On-Demand	Anodyne	ACHE	28	42
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310318	GG	On-Demand	Anodyne	HTR4	30	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310318	GG	On-Demand	Anodyne	SIGMAR1	28	43
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310318	GG	On-Demand	Anodyne	SSTR5	50	37
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310318	GG	On-Demand	Anodyne	MCHR1	41	44
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310318	GG	On-Demand	Anodyne	CACNA1I	66	45
CN(Cc1cnc[nH]1)C(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852310340	FD	On-Demand	Anodyne	TAAR1	24	43
CS(=O)(=O)CC1(CCNC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1	ZINC000852310342	FE	On-Demand	Anodyne	CA7	17	43
CS(=O)(=O)CC1(CCNC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1	ZINC000852310344	FE	On-Demand	Anodyne	CA7	17	43
Cc1ccncc1CCNC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852310359	GD	On-Demand	Anodyne	NAMPT	24	46
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC23CCCCC3)c1	ZINC000852310365	EF	On-Demand	Reactive	KCNK3	55	38
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC23CCCCC3)c1	ZINC000852310365	EF	On-Demand	Reactive	KCNK9	42	38
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC23CCCCC3)c1	ZINC000852310368	EF	On-Demand	Reactive	KCNK3	55	38
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC23CCCCC3)c1	ZINC000852310368	EF	On-Demand	Reactive	KCNK9	42	38
O=C(NCCS(=O)(=O)CCc1ccccc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852310390	GF	On-Demand	Anodyne	CCR3	22	42
O=C(NCCS(=O)(=O)CCc1ccccc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852310391	GF	On-Demand	Anodyne	CCR3	22	42
CC[C@@H](C)CCNC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852310396	EE	On-Demand	Anodyne	MME	25	45
COc1ccc(N2CC[C@H](NC(=O)NCC3CCC(F)(F)CC3)C2)cc1	ZINC000852310402	FG	On-Demand	Clean	MTNR1A	22	45
COc1ccc(N2CC[C@H](NC(=O)NCC3CCC(F)(F)CC3)C2)cc1	ZINC000852310402	FG	On-Demand	Clean	MTNR1B	21	45
COC(=O)N(C)CCNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310415	ED	On-Demand	Anodyne	CA7	15	43
COC(=O)N(C)CCNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310416	ED	On-Demand	Anodyne	CA7	15	43
O=C(CN[C@H]1CCCC12CCCCC2)NNC(=O)c1ccc(F)cc1	ZINC000852310501	EF	On-Demand	Reactive	SSTR3	16	42
O=C(CN[C@@H]1CCCC12CCCCC2)NNC(=O)c1ccc(F)cc1	ZINC000852310503	EF	On-Demand	Reactive	SSTR3	16	42
CCSCCCNC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852310575	DD	On-Demand	Anodyne	EST1_PIG	50	31
CCSCCCNC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852310577	DD	On-Demand	Anodyne	EST1_PIG	50	31
O=C(NCCOCCF)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310578	DE	On-Demand	Anodyne	CA7	15	41
O=C(NCCOCCF)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310580	DE	On-Demand	Anodyne	CA7	15	41
CCSC1(CNC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1	ZINC000852310584	DG	On-Demand	Anodyne	CA7	16	40
CCSC1(CNC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1	ZINC000852310586	DG	On-Demand	Anodyne	CA7	16	40
O=C(NCC1SCCS1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310596	EF	On-Demand	Anodyne	CA7	15	40
O=C(NCC1SCCS1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310597	EF	On-Demand	Anodyne	CA7	15	40
O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)NCC(F)(F)F	ZINC000852310617	FE	On-Demand	Mild	TAAR1	26	42
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)N1CC[C@H]2C[C@H]2C1	ZINC000852310618	CF	On-Demand	Anodyne	CA7	15	40
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)N1CC[C@H]2C[C@@H]2C1	ZINC000852310620	CF	On-Demand	Anodyne	CA7	15	40
CCSCCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852310621	FG	On-Demand	Anodyne	ADRB1	15	47
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)N1CC[C@@H]2C[C@H]2C1	ZINC000852310622	CF	On-Demand	Anodyne	CA7	15	40
CCSCCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852310623	FG	On-Demand	Anodyne	ADRB1	15	47
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852310624	CF	On-Demand	Anodyne	CA7	15	40
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310653	GG	On-Demand	Anodyne	ADRB3	20	41
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310655	GG	On-Demand	Anodyne	ADRB3	20	41
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310658	GG	On-Demand	Anodyne	ADRB3	20	41
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310659	GG	On-Demand	Anodyne	ADRB3	20	41
COC[C@@H](CCNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)OC	ZINC000852310704	EE	On-Demand	Anodyne	CA7	15	42
COC[C@@H](CCNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1)OC	ZINC000852310705	EE	On-Demand	Anodyne	CA7	15	42
CCSCCCNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852310714	FH	On-Demand	Anodyne	CCKAR	17	43
CS(=O)(=O)C1(CNC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CCCCC1	ZINC000852310715	GF	On-Demand	Anodyne	CA7	17	41
CS(=O)(=O)C1(CNC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CCCCC1	ZINC000852310717	GF	On-Demand	Anodyne	CA7	17	41
O=C(NCCS(=O)(=O)CCc1ccccc1)N1CCC(C2CCC2)CC1	ZINC000852310739	GF	On-Demand	Anodyne	FKBP1A	25	40
O=C(NCCS(=O)(=O)CCc1ccccc1)N1CCC(C2CCC2)CC1	ZINC000852310739	GF	On-Demand	Anodyne	SIGMAR1	15	41
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852310782	GE	On-Demand	Anodyne	DRD4	31	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852310782	GE	On-Demand	Anodyne	ACHE	31	44
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852310782	GE	On-Demand	Anodyne	SIGMAR1	37	42
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852310782	GE	On-Demand	Anodyne	MCHR1	15	42
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852310789	GE	On-Demand	Anodyne	DRD4	31	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852310789	GE	On-Demand	Anodyne	ACHE	31	44
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852310789	GE	On-Demand	Anodyne	SIGMAR1	37	42
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852310789	GE	On-Demand	Anodyne	MCHR1	15	42
C=CCCNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852310821	CF	On-Demand	Mild	CA7	16	43
C=CCCNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852310824	CF	On-Demand	Mild	CA7	16	43
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852310874	JH	On-Demand	Anodyne	CNR1	19	43
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852310874	JH	On-Demand	Anodyne	DPP8	50	35
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852310874	JH	On-Demand	Anodyne	DPP9	48	35
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852310878	JH	On-Demand	Anodyne	CNR1	19	43
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852310878	JH	On-Demand	Anodyne	DPP8	50	35
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)NCCc1ccc2c(c1)OCCO2	ZINC000852310878	JH	On-Demand	Anodyne	DPP9	48	35
O=C(NCCCC1CCC1)NCCS(=O)(=O)CCc1ccccc1	ZINC000852310905	FF	On-Demand	Anodyne	FKBP1A	19	41
O=C(NCCCC1CCC1)NCCS(=O)(=O)CCc1ccccc1	ZINC000852310905	FF	On-Demand	Anodyne	CCR3	17	44
O[C@@H](CN1CC[C@@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852310921	CD	On-Demand	Anodyne	SLC6A3	21	43
O[C@@H](CN1CC[C@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852310922	CD	On-Demand	Anodyne	SLC6A3	21	43
C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1)C1CCOCC1	ZINC000852310928	GD	On-Demand	Mild	CPT1A	105	38
C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1)C1CCOCC1	ZINC000852310928	GD	On-Demand	Mild	CPT2	47	38
C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CCOCC1	ZINC000852310929	GD	On-Demand	Mild	CPT1A	105	38
C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CCOCC1	ZINC000852310929	GD	On-Demand	Mild	CPT2	47	38
C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CCOCC1	ZINC000852310930	GD	On-Demand	Mild	CPT1A	105	38
C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CCOCC1	ZINC000852310930	GD	On-Demand	Mild	CPT2	47	38
C#C[C@@H](NC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1)C1CCOCC1	ZINC000852310931	GD	On-Demand	Mild	CPT1A	105	38
C#C[C@@H](NC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1)C1CCOCC1	ZINC000852310931	GD	On-Demand	Mild	CPT2	47	38
O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852310970	FE	On-Demand	Anodyne	EPHX2	58	38
O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852310971	FE	On-Demand	Anodyne	EPHX2	58	38
O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852310972	FE	On-Demand	Anodyne	EPHX2	58	38
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000852310979	GG	On-Demand	Anodyne	GPR119	33	41
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1	ZINC000852310989	DF	On-Demand	Anodyne	CA7	17	41
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1	ZINC000852310990	DF	On-Demand	Anodyne	CA7	17	41
C[C@@H]1CN(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CCN1S(C)(=O)=O	ZINC000852311020	FD	On-Demand	Anodyne	CA7	18	41
C[C@@H]1CN(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CCN1S(C)(=O)=O	ZINC000852311021	FD	On-Demand	Anodyne	CA7	18	41
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000852311047	GG	On-Demand	Anodyne	GPR119	33	41
C[C@@H](N[C@H]1CCCC12CCCCC2)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852311055	GH	On-Demand	Anodyne	MTOR	48	36
C[C@@H](N[C@H]1CCCC12CCCCC2)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852311055	GH	On-Demand	Anodyne	STAT6	42	30
C[C@@H](N[C@@H]1CCCC12CCCCC2)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852311063	GH	On-Demand	Anodyne	MTOR	48	36
C[C@@H](N[C@@H]1CCCC12CCCCC2)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852311063	GH	On-Demand	Anodyne	STAT6	42	30
O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852311097	FD	On-Demand	Anodyne	CPT1A	115	42
O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852311097	FD	On-Demand	Anodyne	CPT2	46	35
O=C(N[C@@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852311101	FD	On-Demand	Anodyne	CPT1A	115	42
O=C(N[C@@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852311101	FD	On-Demand	Anodyne	CPT2	46	35
COc1cccc(OC)c1CNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852311102	FG	On-Demand	Anodyne	CA7	15	48
COc1cccc(OC)c1CNC(=O)N[C@H]1Cc2ccc(Cl)cc2C1	ZINC000852311102	FG	On-Demand	Anodyne	MTTP	16	42
O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852311104	FD	On-Demand	Anodyne	CPT1A	115	42
O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852311104	FD	On-Demand	Anodyne	CPT2	46	35
COc1cccc(OC)c1CNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852311105	FG	On-Demand	Anodyne	CA7	15	48
COc1cccc(OC)c1CNC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1	ZINC000852311105	FG	On-Demand	Anodyne	MTTP	16	42
O[C@H](CNC1(c2ccc(Br)cc2)CCCCC1)c1cccnc1	ZINC000852311197	GI	On-Demand	Anodyne	ADRB3	74	47
O[C@@H](CNC1(c2ccc(Br)cc2)CCCCC1)c1cccnc1	ZINC000852311198	GI	On-Demand	Anodyne	ADRB3	74	47
C#C[C@H](NC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)C1CCOCC1	ZINC000852311199	FE	On-Demand	Mild	EPHX2	25	42
C#C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)C1CCOCC1	ZINC000852311200	FE	On-Demand	Mild	EPHX2	25	42
C#C[C@H](NC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1)C1CCOCC1	ZINC000852311201	FE	On-Demand	Mild	EPHX2	25	42
C#C[C@@H](NC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1)C1CCOCC1	ZINC000852311203	FE	On-Demand	Mild	EPHX2	25	42
NC(=O)[C@](O)(CN[C@@H]1CCCC12CCCCC2)c1ccccc1	ZINC000852311216	DE	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@](O)(CN[C@H]1CCCC12CCCCC2)c1ccccc1	ZINC000852311219	DE	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@@](O)(CN[C@H]1CCCC12CCCCC2)c1ccccc1	ZINC000852311221	DE	On-Demand	Anodyne	AMY2	44	30
O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311225	GE	On-Demand	Anodyne	EPHX2	48	38
O=C(NC[C@]12OCCC[C@H]1C2(F)F)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311226	GE	On-Demand	Anodyne	EPHX2	48	38
NC(=O)[C@@](O)(CN[C@@H]1CCCC12CCCCC2)c1ccccc1	ZINC000852311227	DE	On-Demand	Anodyne	AMY2	44	30
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4ccccc4OC3)C2)cc1	ZINC000852311233	GF	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4ccccc4OC3)C2)cc1	ZINC000852311233	GF	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4ccccc4OC3)C2)cc1	ZINC000852311235	GF	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4ccccc4OC3)C2)cc1	ZINC000852311235	GF	On-Demand	Clean	MTNR1B	17	45
CCSCCCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852311255	DD	On-Demand	Anodyne	EPHX2	23	43
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852311287	FF	On-Demand	Anodyne	MME	60	41
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852311287	FF	On-Demand	Anodyne	PAPA1_CARPA	44	36
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852311287	FF	On-Demand	Anodyne	MMP3	41	34
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852311287	FF	On-Demand	Anodyne	CAPN1	46	41
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852311287	FF	On-Demand	Anodyne	CAPN2	65	33
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852311287	FF	On-Demand	Anodyne	FPR1	57	40
CCC(C)(C)[C@@H](C)NC(=O)NCCS(=O)(=O)CCc1ccccc1	ZINC000852311287	FF	On-Demand	Anodyne	CTRB_BOVIN	45	32
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852311350	GF	On-Demand	Anodyne	DRD3	16	44
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852311350	GF	On-Demand	Anodyne	HDAC8	26	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852311350	GF	On-Demand	Anodyne	HDAC1	17	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852311350	GF	On-Demand	Anodyne	HDAC6	15	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852311351	GF	On-Demand	Anodyne	DRD3	16	44
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852311351	GF	On-Demand	Anodyne	HDAC8	26	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852311351	GF	On-Demand	Anodyne	HDAC1	17	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852311351	GF	On-Demand	Anodyne	HDAC6	15	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852311352	GF	On-Demand	Anodyne	DRD3	16	44
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852311352	GF	On-Demand	Anodyne	HDAC8	26	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852311352	GF	On-Demand	Anodyne	HDAC1	17	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852311352	GF	On-Demand	Anodyne	HDAC6	15	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852311353	GF	On-Demand	Anodyne	DRD3	16	44
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852311353	GF	On-Demand	Anodyne	HDAC8	26	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852311353	GF	On-Demand	Anodyne	HDAC1	17	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852311353	GF	On-Demand	Anodyne	HDAC6	15	41
C[C@@]1(CNC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1(F)F	ZINC000852311366	FF	On-Demand	Anodyne	HDAC2	16	43
C[C@@]1(CNC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1(F)F	ZINC000852311366	FF	On-Demand	Anodyne	HDAC6	15	43
C[C@@]1(CNC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1(F)F	ZINC000852311366	FF	On-Demand	Anodyne	HDAC9	33	43
C[C@@]1(CNC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1(F)F	ZINC000852311366	FF	On-Demand	Anodyne	HDAC7	41	43
C[C@@]1(CNC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1(F)F	ZINC000852311367	FF	On-Demand	Anodyne	HDAC2	16	43
C[C@@]1(CNC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1(F)F	ZINC000852311367	FF	On-Demand	Anodyne	HDAC6	15	43
C[C@@]1(CNC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1(F)F	ZINC000852311367	FF	On-Demand	Anodyne	HDAC9	33	43
C[C@@]1(CNC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1(F)F	ZINC000852311367	FF	On-Demand	Anodyne	HDAC7	41	43
Cc1cccc(C(=O)NNC(=O)CN(Cc2ccsc2)C(C)(C)C)c1	ZINC000852311420	FG	On-Demand	Reactive	KCNK3	55	37
Cc1cccc(C(=O)NNC(=O)CN(Cc2ccsc2)C(C)(C)C)c1	ZINC000852311420	FG	On-Demand	Reactive	KCNK9	43	37
O=C(NCC1SCCS1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311457	GD	On-Demand	Anodyne	CPT1A	96	41
O=C(NCC1SCCS1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311457	GD	On-Demand	Anodyne	CPT2	44	34
O=C(NCC1SCCS1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311457	GD	On-Demand	Anodyne	EPHX2	33	41
O=C(NCC1SCCS1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311458	GD	On-Demand	Anodyne	CPT1A	96	41
O=C(NCC1SCCS1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311458	GD	On-Demand	Anodyne	CPT2	44	34
O=C(NCC1SCCS1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311458	GD	On-Demand	Anodyne	EPHX2	33	41
CC(C)(C)OC(=O)NCC[C@H](O)CN(Cc1ccsc1)C(C)(C)C	ZINC000852311459	FH	On-Demand	Anodyne	PAPA1_CARPA	28	45
CC(C)(C)OC(=O)NCC[C@@H](O)CN(Cc1ccsc1)C(C)(C)C	ZINC000852311460	FH	On-Demand	Anodyne	PAPA1_CARPA	28	45
CC(C)(C)N(Cc1ccsc1)C[C@H](O)c1cccnc1	ZINC000852311462	CG	On-Demand	Anodyne	CYP51A1	16	40
CC(C)(C)N(Cc1ccsc1)C[C@@H](O)c1cccnc1	ZINC000852311463	CG	On-Demand	Anodyne	CYP51A1	16	40
O=C(N[C@H]1CCNC1=O)N[C@@H]1CCc2ccccc2OC1	ZINC000852311465	CC	On-Demand	Anodyne	GHRL	67	35
O=C(N[C@H]1CCc2ccccc2OC1)N[C@@H]1CCNC1=O	ZINC000852311466	CC	On-Demand	Anodyne	GHRL	67	35
O=C(N[C@H]1CCc2ccccc2OC1)N[C@H]1CCNC1=O	ZINC000852311467	CC	On-Demand	Anodyne	GHRL	67	35
O=C(N[C@@H]1CCc2ccccc2OC1)N[C@@H]1CCNC1=O	ZINC000852311468	CC	On-Demand	Anodyne	GHRL	67	35
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311492	ED	On-Demand	Anodyne	EPHX2	67	49
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311493	ED	On-Demand	Anodyne	EPHX2	67	49
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311502	FC	On-Demand	Anodyne	CPT1A	121	42
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311502	FC	On-Demand	Anodyne	CPT2	45	36
O=C(NCc1ncccn1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311502	FC	On-Demand	Anodyne	EPHX2	42	42
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311503	FC	On-Demand	Anodyne	CPT1A	121	42
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311503	FC	On-Demand	Anodyne	CPT2	45	36
O=C(NCc1ncccn1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311503	FC	On-Demand	Anodyne	EPHX2	42	42
CC(C)(C)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccsc1	ZINC000852311531	GH	On-Demand	Anodyne	MTOR	68	36
CC(C)(C)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccsc1	ZINC000852311531	GH	On-Demand	Anodyne	STAT6	46	32
CC(C)(C)N(CC(=O)Nc1cccnc1Cl)Cc1ccsc1	ZINC000852311533	EI	On-Demand	Anodyne	G2YM83_BOTF4	57	32
N#Cc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1Cl	ZINC000852311538	GG	On-Demand	Mild	PDE5A	15	41
N#Cc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1Cl	ZINC000852311538	GG	On-Demand	Mild	AR	23	55
N#Cc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1Cl	ZINC000852311538	GG	On-Demand	Mild	RPA1	47	32
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311584	FE	On-Demand	Anodyne	HDAC1	18	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311584	FE	On-Demand	Anodyne	HDAC2	18	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311584	FE	On-Demand	Anodyne	HDAC6	23	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311584	FE	On-Demand	Anodyne	HDAC9	33	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311584	FE	On-Demand	Anodyne	HDAC7	41	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311586	FE	On-Demand	Anodyne	HDAC1	18	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311586	FE	On-Demand	Anodyne	HDAC2	18	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311586	FE	On-Demand	Anodyne	HDAC6	23	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311586	FE	On-Demand	Anodyne	HDAC9	33	40
Cc1ccncc1CCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311586	FE	On-Demand	Anodyne	HDAC7	41	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311587	GC	On-Demand	Anodyne	CPT1A	77	43
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311587	GC	On-Demand	Anodyne	CPT2	40	33
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311587	GC	On-Demand	Anodyne	EPHX2	21	41
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311589	GC	On-Demand	Anodyne	CPT1A	77	43
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311589	GC	On-Demand	Anodyne	CPT2	40	33
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311589	GC	On-Demand	Anodyne	EPHX2	21	41
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CA2	53	43
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CA6	15	41
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CA1	48	41
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CA7	35	41
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CA13	17	41
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CA4	35	40
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CA12	29	41
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CA9	41	41
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CAH_METTE	19	41
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	CYNT	40	38
CC(C)(C)N(CCc1ccc(S(N)(=O)=O)cc1)Cc1ccsc1	ZINC000852311607	FG	On-Demand	Anodyne	NCE103	18	41
CCSC1(CNC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1	ZINC000852311635	FF	On-Demand	Anodyne	HDAC1	15	42
CCSC1(CNC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1	ZINC000852311635	FF	On-Demand	Anodyne	HDAC6	20	42
CCSC1(CNC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1	ZINC000852311635	FF	On-Demand	Anodyne	HDAC9	27	42
CCSC1(CNC(=O)NCCCNC(=O)/C=C\c2ccccc2)CC1	ZINC000852311635	FF	On-Demand	Anodyne	HDAC7	32	42
CCSC1(CNC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1	ZINC000852311636	FF	On-Demand	Anodyne	HDAC1	15	42
CCSC1(CNC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1	ZINC000852311636	FF	On-Demand	Anodyne	HDAC6	20	42
CCSC1(CNC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1	ZINC000852311636	FF	On-Demand	Anodyne	HDAC9	27	42
CCSC1(CNC(=O)NCCCNC(=O)/C=C/c2ccccc2)CC1	ZINC000852311636	FF	On-Demand	Anodyne	HDAC7	32	42
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311637	FD	On-Demand	Anodyne	HDAC8	46	36
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311637	FD	On-Demand	Anodyne	HDAC1	34	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311637	FD	On-Demand	Anodyne	HDAC2	15	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311637	FD	On-Demand	Anodyne	HDAC4	31	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311637	FD	On-Demand	Anodyne	HDAC6	30	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311637	FD	On-Demand	Anodyne	HDAC9	33	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852311637	FD	On-Demand	Anodyne	HDAC7	38	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311639	FD	On-Demand	Anodyne	HDAC8	46	36
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311639	FD	On-Demand	Anodyne	HDAC1	34	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311639	FD	On-Demand	Anodyne	HDAC2	15	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311639	FD	On-Demand	Anodyne	HDAC4	31	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311639	FD	On-Demand	Anodyne	HDAC6	30	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311639	FD	On-Demand	Anodyne	HDAC9	33	41
CN(Cc1cn(C)nn1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852311639	FD	On-Demand	Anodyne	HDAC7	38	41
CC(C)(C)N(CC(=O)NNC(=O)c1ccccc1Cl)Cc1ccsc1	ZINC000852311640	GG	On-Demand	Reactive	ECR	55	42
COCCN(CCF)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311787	FD	On-Demand	Anodyne	CPT1A	115	42
COCCN(CCF)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311787	FD	On-Demand	Anodyne	CPT2	47	37
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@H]2c2c(C)cccc2C)CC1	ZINC000852311799	GG	On-Demand	Anodyne	CCR8	63	45
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@H]2c2c(C)cccc2C)CC1	ZINC000852311800	GG	On-Demand	Anodyne	CCR8	63	45
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311803	DE	On-Demand	Anodyne	CCR3	16	44
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311803	DE	On-Demand	Anodyne	EPHX2	50	43
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311804	DE	On-Demand	Anodyne	CCR3	16	44
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311804	DE	On-Demand	Anodyne	EPHX2	50	43
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311805	DE	On-Demand	Anodyne	CCR3	16	44
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311805	DE	On-Demand	Anodyne	EPHX2	50	43
O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852311806	DE	On-Demand	Anodyne	CCR3	16	44
O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852311806	DE	On-Demand	Anodyne	EPHX2	50	43
COCCN(CCF)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311823	FD	On-Demand	Anodyne	EPHX2	34	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1CC(c2ccccc2)C1	ZINC000852311833	GH	On-Demand	Clean	SLC18A3	41	33
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311855	GE	On-Demand	Reactive	CPT1A	104	48
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311855	GE	On-Demand	Reactive	CPT2	46	40
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311856	GE	On-Demand	Reactive	CPT1A	104	48
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852311856	GE	On-Demand	Reactive	CPT2	46	40
O=C(NCC1SCCS1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311871	FE	On-Demand	Anodyne	EPHX2	50	41
O=C(NCC1SCCS1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311872	FE	On-Demand	Anodyne	EPHX2	50	41
CCc1nc2cc(CNC(=O)N3CC[C@H](N4CCOC4=O)C3)ccc2n1C1CC1	ZINC000852311891	GF	On-Demand	Anodyne	FPR2	22	43
CCc1nc2cc(CNC(=O)N3CC[C@@H](N4CCOC4=O)C3)ccc2n1C1CC1	ZINC000852311892	GF	On-Demand	Anodyne	FPR2	22	43
O=C(Nc1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852311918	GD	On-Demand	Anodyne	EPHX2	26	40
O=C(Nc1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852311919	GD	On-Demand	Anodyne	EPHX2	26	40
O=C(Nc1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852311920	GD	On-Demand	Anodyne	EPHX2	26	40
O=C(Nc1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852311921	GD	On-Demand	Anodyne	EPHX2	26	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C#N)c(Cl)c3)C2)cc1	ZINC000852311938	GG	On-Demand	Mild	AR	19	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C#N)c(Cl)c3)C2)cc1	ZINC000852311938	GG	On-Demand	Mild	DRD4	43	35
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C#N)c(Cl)c3)C2)cc1	ZINC000852311938	GG	On-Demand	Mild	TRPV4	41	34
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C#N)c(Cl)c3)C2)cc1	ZINC000852311938	GG	On-Demand	Mild	MCHR1	20	46
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311977	GF	On-Demand	Anodyne	CCR3	18	42
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311977	GF	On-Demand	Anodyne	EPHX2	38	40
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311977	GF	On-Demand	Anodyne	CCR8	39	40
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311978	GF	On-Demand	Anodyne	CCR3	18	42
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311978	GF	On-Demand	Anodyne	EPHX2	38	40
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852311978	GF	On-Demand	Anodyne	CCR8	39	40
CS(=O)(=O)NC1CC(NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852311982	GD	On-Demand	Anodyne	ADRB3	23	42
CS(=O)(=O)NC1CC(NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852311983	GD	On-Demand	Anodyne	ADRB3	23	42
CC(C)(C)N(Cc1ccc(Cl)nc1)Cc1ccsc1	ZINC000852311996	CJ	On-Demand	Anodyne	Q8WSF8_APLCA	38	41
CC(C)(C)N(Cc1ccc(Cl)nc1)Cc1ccsc1	ZINC000852311996	CJ	On-Demand	Anodyne	NACHRBETA2	42	41
O=C1CCC2=C(CCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C2)N1	ZINC000852312010	GD	On-Demand	Anodyne	CPT1A	67	38
O=C1CCC2=C(CCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)C2)N1	ZINC000852312010	GD	On-Demand	Anodyne	CPT2	43	35
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)C2)N1	ZINC000852312011	GD	On-Demand	Anodyne	CPT1A	67	38
O=C1CCC2=C(CCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)C2)N1	ZINC000852312011	GD	On-Demand	Anodyne	CPT2	43	35
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312012	ED	On-Demand	Anodyne	CPT1A	98	42
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312012	ED	On-Demand	Anodyne	CPT2	42	34
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312012	ED	On-Demand	Anodyne	SLC6A5	30	40
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312012	ED	On-Demand	Anodyne	EPHX2	32	44
O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852312013	ED	On-Demand	Anodyne	CPT1A	98	42
O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852312013	ED	On-Demand	Anodyne	CPT2	42	34
O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852312013	ED	On-Demand	Anodyne	SLC6A5	30	40
O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852312013	ED	On-Demand	Anodyne	EPHX2	32	44
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312014	ED	On-Demand	Anodyne	CPT1A	98	42
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312014	ED	On-Demand	Anodyne	CPT2	42	34
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312014	ED	On-Demand	Anodyne	SLC6A5	30	40
O=C(N[C@@H]1C=CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312014	ED	On-Demand	Anodyne	EPHX2	32	44
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312015	ED	On-Demand	Anodyne	CPT1A	98	42
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312015	ED	On-Demand	Anodyne	CPT2	42	34
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312015	ED	On-Demand	Anodyne	SLC6A5	30	40
O=C(N[C@H]1C=CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312015	ED	On-Demand	Anodyne	EPHX2	32	44
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852312025	FD	On-Demand	Anodyne	CCR3	17	40
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852312025	FD	On-Demand	Anodyne	EPHX2	44	42
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852312026	FD	On-Demand	Anodyne	CCR3	17	40
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1	ZINC000852312026	FD	On-Demand	Anodyne	EPHX2	44	42
CC(C)(C)N(CC(=O)NNC(=O)c1ccc(C#N)cc1)Cc1ccsc1	ZINC000852312051	FF	On-Demand	Reactive	CTRB_BOVIN	48	35
COc1ccc(N2CC[C@H](NC(=O)NC3CC(NS(C)(=O)=O)C3)C2)cc1	ZINC000852312101	GC	On-Demand	Clean	MMP13	33	44
COc1ccc(N2CC[C@H](NC(=O)NC3CC(NS(C)(=O)=O)C3)C2)cc1	ZINC000852312101	GC	On-Demand	Clean	MMP2	18	44
COc1ccc(N2CC[C@H](NC(=O)NC3CC(NS(C)(=O)=O)C3)C2)cc1	ZINC000852312101	GC	On-Demand	Clean	MMP3	36	44
COc1ccc(N2CC[C@H](NC(=O)NC3CC(NS(C)(=O)=O)C3)C2)cc1	ZINC000852312101	GC	On-Demand	Clean	MMP1	31	44
N#Cc1ccc(CNC(=O)N2CCC(N3CCOC3=O)CC2)cc1Cl	ZINC000852312107	FE	On-Demand	Mild	KCNJ1	21	41
CC(C)(C)N(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccsc1	ZINC000852312161	GF	On-Demand	Reactive	MMP8	29	41
CC(C)(C)N(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccsc1	ZINC000852312161	GF	On-Demand	Reactive	MMP9	15	41
CC(C)(C)N(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccsc1	ZINC000852312161	GF	On-Demand	Reactive	MMP1	23	41
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852312168	FF	On-Demand	Anodyne	SIGMAR1	37	41
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C	ZINC000852312168	FF	On-Demand	Anodyne	MCHR1	15	41
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312174	GE	On-Demand	Anodyne	CPT1A	81	42
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312174	GE	On-Demand	Anodyne	CPT2	43	33
O=C(NCCC1SCCS1)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312174	GE	On-Demand	Anodyne	EPHX2	22	40
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312175	GE	On-Demand	Anodyne	CPT1A	81	42
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312175	GE	On-Demand	Anodyne	CPT2	43	33
O=C(NCCC1SCCS1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000852312175	GE	On-Demand	Anodyne	EPHX2	22	40
O=C(c1cccc(CN2CC[C@@H](Cn3ccnn3)C2)c1)C(F)(F)F	ZINC000852312177	EF	On-Demand	Anodyne	ACHE	27	41
O=C(c1cccc(CN2CC[C@@H](Cn3ccnn3)C2)c1)C(F)(F)F	ZINC000852312177	EF	On-Demand	Anodyne	CCR3	20	42
O=C(c1cccc(CN2CC[C@H](Cn3ccnn3)C2)c1)C(F)(F)F	ZINC000852312178	EF	On-Demand	Anodyne	ACHE	27	41
O=C(c1cccc(CN2CC[C@H](Cn3ccnn3)C2)c1)C(F)(F)F	ZINC000852312178	EF	On-Demand	Anodyne	CCR3	20	42
CCc1nc2cc(CNC(=O)N3CCC(NC(=O)OC)CC3)ccc2n1C1CC1	ZINC000852312179	GF	On-Demand	Anodyne	FPR2	22	41
N#Cc1ccc(CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1Cl	ZINC000852312186	ED	On-Demand	Mild	KCNJ1	21	41
N#Cc1ccc(CNC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1Cl	ZINC000852312187	ED	On-Demand	Mild	KCNJ1	21	41
CN(Cc1cnc[nH]1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312259	ED	On-Demand	Anodyne	TAAR1	22	40
CN(Cc1cnc[nH]1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312260	ED	On-Demand	Anodyne	TAAR1	22	40
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312322	GF	On-Demand	Anodyne	DRD3	22	55
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312322	GF	On-Demand	Anodyne	BDKRB2	49	37
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312322	GF	On-Demand	Anodyne	KCNA3	19	40
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312322	GF	On-Demand	Anodyne	HDAC1	17	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312322	GF	On-Demand	Anodyne	HDAC2	18	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312322	GF	On-Demand	Anodyne	HDAC6	18	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312322	GF	On-Demand	Anodyne	HDAC9	33	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312322	GF	On-Demand	Anodyne	HDAC7	41	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312323	GF	On-Demand	Anodyne	DRD3	22	55
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312323	GF	On-Demand	Anodyne	BDKRB2	49	37
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312323	GF	On-Demand	Anodyne	KCNA3	19	40
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312323	GF	On-Demand	Anodyne	HDAC1	17	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312323	GF	On-Demand	Anodyne	HDAC2	18	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312323	GF	On-Demand	Anodyne	HDAC6	18	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312323	GF	On-Demand	Anodyne	HDAC9	33	42
COc1cccc(OC)c1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312323	GF	On-Demand	Anodyne	HDAC7	41	42
O=C(N[C@@H]1CCc2ccccc2OC1)N1CC[C@@H]2C[C@H]2C1	ZINC000852312324	CE	On-Demand	Anodyne	EPHX2	15	45
O=C(N[C@@H]1CCc2ccccc2OC1)N1CC[C@@H]2C[C@@H]2C1	ZINC000852312325	CE	On-Demand	Anodyne	EPHX2	15	45
O=C(N[C@@H]1CCc2ccccc2OC1)N1CC[C@H]2C[C@@H]2C1	ZINC000852312326	CE	On-Demand	Anodyne	EPHX2	15	45
O=C(N[C@@H]1CCc2ccccc2OC1)N1CC[C@H]2C[C@H]2C1	ZINC000852312327	CE	On-Demand	Anodyne	EPHX2	15	45
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1CCc2ccccc2OC1	ZINC000852312357	FF	On-Demand	Anodyne	HTR4	41	33
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1CCc2ccccc2OC1	ZINC000852312357	FF	On-Demand	Anodyne	SIGMAR1	19	45
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1CCc2ccccc2OC1	ZINC000852312357	FF	On-Demand	Anodyne	CACNA1I	45	33
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1CCc2ccccc2OC1	ZINC000852312358	FF	On-Demand	Anodyne	HTR4	41	33
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1CCc2ccccc2OC1	ZINC000852312358	FF	On-Demand	Anodyne	SIGMAR1	19	45
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1CCc2ccccc2OC1	ZINC000852312358	FF	On-Demand	Anodyne	CACNA1I	45	33
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)n1	ZINC000852312387	FD	On-Demand	Anodyne	HDAC8	41	38
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)n1	ZINC000852312387	FD	On-Demand	Anodyne	HDAC1	20	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)n1	ZINC000852312387	FD	On-Demand	Anodyne	HDAC2	18	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)n1	ZINC000852312387	FD	On-Demand	Anodyne	HDAC4	15	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)n1	ZINC000852312387	FD	On-Demand	Anodyne	HDAC6	30	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)n1	ZINC000852312387	FD	On-Demand	Anodyne	HDAC9	32	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)n1	ZINC000852312387	FD	On-Demand	Anodyne	HDAC7	40	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)n1	ZINC000852312388	FD	On-Demand	Anodyne	HDAC8	41	38
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)n1	ZINC000852312388	FD	On-Demand	Anodyne	HDAC1	20	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)n1	ZINC000852312388	FD	On-Demand	Anodyne	HDAC2	18	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)n1	ZINC000852312388	FD	On-Demand	Anodyne	HDAC4	15	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)n1	ZINC000852312388	FD	On-Demand	Anodyne	HDAC6	30	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)n1	ZINC000852312388	FD	On-Demand	Anodyne	HDAC9	32	40
Cc1cncc(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)n1	ZINC000852312388	FD	On-Demand	Anodyne	HDAC7	40	40
O=C(NCCCc1ccco1)NCCS(=O)(=O)CCc1ccccc1	ZINC000852312397	FE	On-Demand	Anodyne	MTNR1B	16	41
C=C[C@H](CO)NC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312523	DD	On-Demand	Mild	HDAC9	33	42
C=C[C@H](CO)NC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312523	DD	On-Demand	Mild	HDAC7	32	42
C=C[C@H](CO)NC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312524	DD	On-Demand	Mild	HDAC9	33	42
C=C[C@H](CO)NC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312524	DD	On-Demand	Mild	HDAC7	32	42
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852312525	GD	On-Demand	Anodyne	DRD3	15	44
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852312526	GD	On-Demand	Anodyne	DRD3	15	44
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852312527	GD	On-Demand	Anodyne	DRD3	15	44
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852312528	GD	On-Demand	Anodyne	DRD3	15	44
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852312535	GF	On-Demand	Anodyne	DRD3	16	47
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852312535	GF	On-Demand	Anodyne	SIGMAR1	16	47
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852312535	GF	On-Demand	Anodyne	CCR3	30	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852312535	GF	On-Demand	Anodyne	CACNA1I	47	35
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852312536	GF	On-Demand	Anodyne	DRD3	16	47
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852312536	GF	On-Demand	Anodyne	SIGMAR1	16	47
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852312536	GF	On-Demand	Anodyne	CCR3	30	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852312536	GF	On-Demand	Anodyne	CACNA1I	47	35
O=C(N[C@H]1CCc2ccccc2OC1)N1CCC(c2ccon2)CC1	ZINC000852312543	EF	On-Demand	Anodyne	SMO	33	40
O=C(N[C@@H]1CCc2ccccc2OC1)N1CCC(c2ccon2)CC1	ZINC000852312544	EF	On-Demand	Anodyne	SMO	33	40
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312551	GG	On-Demand	Anodyne	DRD3	21	52
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312552	GG	On-Demand	Anodyne	DRD3	21	52
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCc2nccnc2C1	ZINC000852312567	FD	On-Demand	Anodyne	DRD3	16	47
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCc2nccnc2C1	ZINC000852312568	FD	On-Demand	Anodyne	DRD3	16	47
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312591	EE	On-Demand	Anodyne	HDAC1	16	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312591	EE	On-Demand	Anodyne	HDAC2	16	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312591	EE	On-Demand	Anodyne	HDAC6	19	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312591	EE	On-Demand	Anodyne	HDAC9	34	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312591	EE	On-Demand	Anodyne	HDAC7	42	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312592	EE	On-Demand	Anodyne	HDAC1	16	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312592	EE	On-Demand	Anodyne	HDAC2	16	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312592	EE	On-Demand	Anodyne	HDAC6	19	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312592	EE	On-Demand	Anodyne	HDAC9	34	45
CCO[C@@H]1C[C@@H](NC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312592	EE	On-Demand	Anodyne	HDAC7	42	45
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)s1	ZINC000852312614	FE	On-Demand	Anodyne	HDAC1	17	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)s1	ZINC000852312614	FE	On-Demand	Anodyne	HDAC4	15	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)s1	ZINC000852312614	FE	On-Demand	Anodyne	HDAC6	24	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)s1	ZINC000852312614	FE	On-Demand	Anodyne	HDAC9	21	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)s1	ZINC000852312614	FE	On-Demand	Anodyne	HDAC7	32	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)s1	ZINC000852312615	FE	On-Demand	Anodyne	HDAC1	17	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)s1	ZINC000852312615	FE	On-Demand	Anodyne	HDAC4	15	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)s1	ZINC000852312615	FE	On-Demand	Anodyne	HDAC6	24	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)s1	ZINC000852312615	FE	On-Demand	Anodyne	HDAC9	21	44
Cc1nnc(CN(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)s1	ZINC000852312615	FE	On-Demand	Anodyne	HDAC7	32	44
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1SCCS1	ZINC000852312647	FE	On-Demand	Anodyne	HDAC8	15	42
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1SCCS1	ZINC000852312647	FE	On-Demand	Anodyne	HDAC9	27	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1SCCS1	ZINC000852312647	FE	On-Demand	Anodyne	HDAC7	32	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1SCCS1	ZINC000852312648	FE	On-Demand	Anodyne	HDAC8	15	42
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1SCCS1	ZINC000852312648	FE	On-Demand	Anodyne	HDAC9	27	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1SCCS1	ZINC000852312648	FE	On-Demand	Anodyne	HDAC7	32	41
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@@H]1CCc2ccccc2OC1	ZINC000852312667	GF	On-Demand	Anodyne	GHRL	44	33
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@H]1CCc2ccccc2OC1	ZINC000852312668	GF	On-Demand	Anodyne	GHRL	44	33
CN(CC1=CCSC1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312716	FF	On-Demand	Anodyne	HDAC9	21	40
CN(CC1=CCSC1)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312716	FF	On-Demand	Anodyne	HDAC7	31	40
CN(CC1=CCSC1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312717	FF	On-Demand	Anodyne	HDAC9	21	40
CN(CC1=CCSC1)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312717	FF	On-Demand	Anodyne	HDAC7	31	40
C=CCCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312732	DE	On-Demand	Mild	HDAC1	19	45
C=CCCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312732	DE	On-Demand	Mild	HDAC2	19	45
C=CCCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312732	DE	On-Demand	Mild	HDAC4	17	45
C=CCCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312732	DE	On-Demand	Mild	HDAC6	19	48
C=CCCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312732	DE	On-Demand	Mild	HDAC9	41	45
C=CCCNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312732	DE	On-Demand	Mild	HDAC7	43	45
C=CCCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312733	DE	On-Demand	Mild	HDAC1	19	45
C=CCCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312733	DE	On-Demand	Mild	HDAC2	19	45
C=CCCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312733	DE	On-Demand	Mild	HDAC4	17	45
C=CCCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312733	DE	On-Demand	Mild	HDAC6	19	48
C=CCCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312733	DE	On-Demand	Mild	HDAC9	41	45
C=CCCNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312733	DE	On-Demand	Mild	HDAC7	43	45
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312741	EE	On-Demand	Anodyne	HDAC1	21	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312741	EE	On-Demand	Anodyne	HDAC2	21	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312741	EE	On-Demand	Anodyne	HDAC4	25	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312741	EE	On-Demand	Anodyne	HDAC6	21	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312741	EE	On-Demand	Anodyne	HDAC9	39	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312741	EE	On-Demand	Anodyne	HDAC7	40	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312742	EE	On-Demand	Anodyne	HDAC1	21	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312742	EE	On-Demand	Anodyne	HDAC2	21	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312742	EE	On-Demand	Anodyne	HDAC4	25	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312742	EE	On-Demand	Anodyne	HDAC6	21	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312742	EE	On-Demand	Anodyne	HDAC9	39	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCc1ccoc1	ZINC000852312742	EE	On-Demand	Anodyne	HDAC7	40	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312743	FE	On-Demand	Anodyne	DRD3	15	44
CC(C)(C)N1CC[C@H]1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312744	FE	On-Demand	Anodyne	DRD3	15	44
CC(C)(C)N1CC[C@@H]1CNC(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312745	FE	On-Demand	Anodyne	DRD3	15	44
CC(C)(C)N1CC[C@H]1CNC(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312746	FE	On-Demand	Anodyne	DRD3	15	44
O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852312751	FE	On-Demand	Anodyne	HDAC9	20	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852312751	FE	On-Demand	Anodyne	HDAC7	30	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852312752	FE	On-Demand	Anodyne	HDAC9	20	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852312752	FE	On-Demand	Anodyne	HDAC7	30	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852312753	FE	On-Demand	Anodyne	HDAC9	20	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852312753	FE	On-Demand	Anodyne	HDAC7	30	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852312754	FE	On-Demand	Anodyne	HDAC9	20	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852312754	FE	On-Demand	Anodyne	HDAC7	30	41
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312759	FG	On-Demand	Anodyne	DRD3	15	47
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312759	FG	On-Demand	Anodyne	HDAC1	20	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312759	FG	On-Demand	Anodyne	HDAC6	24	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312759	FG	On-Demand	Anodyne	HDAC9	26	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312759	FG	On-Demand	Anodyne	HDAC7	31	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312760	FG	On-Demand	Anodyne	DRD3	15	47
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312760	FG	On-Demand	Anodyne	HDAC1	20	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312760	FG	On-Demand	Anodyne	HDAC6	24	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312760	FG	On-Demand	Anodyne	HDAC9	26	42
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312760	FG	On-Demand	Anodyne	HDAC7	31	42
CC[C@@H](NC(=O)NCCCNC(=O)/C=C\c1ccccc1)C1CC1	ZINC000852312776	EF	On-Demand	Anodyne	HDAC6	17	42
CC[C@@H](NC(=O)NCCCNC(=O)/C=C\c1ccccc1)C1CC1	ZINC000852312776	EF	On-Demand	Anodyne	HDAC9	26	42
CC[C@@H](NC(=O)NCCCNC(=O)/C=C\c1ccccc1)C1CC1	ZINC000852312776	EF	On-Demand	Anodyne	HDAC7	31	42
CC[C@@H](NC(=O)NCCCNC(=O)/C=C/c1ccccc1)C1CC1	ZINC000852312777	EF	On-Demand	Anodyne	HDAC6	17	42
CC[C@@H](NC(=O)NCCCNC(=O)/C=C/c1ccccc1)C1CC1	ZINC000852312777	EF	On-Demand	Anodyne	HDAC9	26	42
CC[C@@H](NC(=O)NCCCNC(=O)/C=C/c1ccccc1)C1CC1	ZINC000852312777	EF	On-Demand	Anodyne	HDAC7	31	42
CN(C[C@@H]1CC1(C)C)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312830	EF	On-Demand	Anodyne	HDAC9	27	42
CN(C[C@@H]1CC1(C)C)C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852312830	EF	On-Demand	Anodyne	HDAC7	32	42
CN(C[C@@H]1CC1(C)C)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312831	EF	On-Demand	Anodyne	HDAC9	27	42
CN(C[C@@H]1CC1(C)C)C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852312831	EF	On-Demand	Anodyne	HDAC7	32	42
O=C(/C=C/c1ccccc1)NCCCNC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852312855	GG	On-Demand	Anodyne	HDAC6	17	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)NC1CCC2(CC1)CC2(F)F	ZINC000852312856	GG	On-Demand	Anodyne	HDAC6	17	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1=CCCC1	ZINC000852312869	EF	On-Demand	Anodyne	HDAC9	26	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCC1=CCCC1	ZINC000852312869	EF	On-Demand	Anodyne	HDAC7	31	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1=CCCC1	ZINC000852312871	EF	On-Demand	Anodyne	HDAC9	26	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCC1=CCCC1	ZINC000852312871	EF	On-Demand	Anodyne	HDAC7	31	40
COC1CC(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312872	FE	On-Demand	Anodyne	DRD3	15	47
COC1CC(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312872	FE	On-Demand	Anodyne	HDAC2	16	44
COC1CC(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312872	FE	On-Demand	Anodyne	HDAC9	34	44
COC1CC(CCNC(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852312872	FE	On-Demand	Anodyne	HDAC7	42	44
COC1CC(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312874	FE	On-Demand	Anodyne	DRD3	15	47
COC1CC(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312874	FE	On-Demand	Anodyne	HDAC2	16	44
COC1CC(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312874	FE	On-Demand	Anodyne	HDAC9	34	44
COC1CC(CCNC(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852312874	FE	On-Demand	Anodyne	HDAC7	42	44
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCc2ccccc2OC1	ZINC000852312896	GF	On-Demand	Anodyne	ACHE	37	45
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCc2ccccc2OC1	ZINC000852312896	GF	On-Demand	Anodyne	HTR4	41	39
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCc2ccccc2OC1	ZINC000852312896	GF	On-Demand	Anodyne	SIGMAR1	35	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCc2ccccc2OC1	ZINC000852312896	GF	On-Demand	Anodyne	MCHR1	30	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCc2ccccc2OC1	ZINC000852312897	GF	On-Demand	Anodyne	ACHE	37	45
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCc2ccccc2OC1	ZINC000852312897	GF	On-Demand	Anodyne	HTR4	41	39
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCc2ccccc2OC1	ZINC000852312897	GF	On-Demand	Anodyne	SIGMAR1	35	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCc2ccccc2OC1	ZINC000852312897	GF	On-Demand	Anodyne	MCHR1	30	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312927	EF	On-Demand	Anodyne	HDAC1	22	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312927	EF	On-Demand	Anodyne	HDAC2	17	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312927	EF	On-Demand	Anodyne	HDAC6	21	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312927	EF	On-Demand	Anodyne	HDAC9	32	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312927	EF	On-Demand	Anodyne	HDAC7	40	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312928	EF	On-Demand	Anodyne	HDAC1	22	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312928	EF	On-Demand	Anodyne	HDAC2	17	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312928	EF	On-Demand	Anodyne	HDAC6	21	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312928	EF	On-Demand	Anodyne	HDAC9	32	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852312928	EF	On-Demand	Anodyne	HDAC7	40	41
COCCS(=O)(=O)CCCN1CCC[C@H]1c1c(C)cccc1C	ZINC000852312945	EF	On-Demand	Anodyne	HRH3	16	40
COCCS(=O)(=O)CCCN1CCC[C@@H]1c1c(C)cccc1C	ZINC000852312948	EF	On-Demand	Anodyne	HRH3	16	40
C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852312961	GE	On-Demand	Reactive	TBXA2R	42	36
C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852312963	GE	On-Demand	Reactive	TBXA2R	42	36
O[C@H](CN1CC[C@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852312984	CD	On-Demand	Anodyne	SLC6A3	21	43
O[C@H](CN1CC[C@@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852312985	CD	On-Demand	Anodyne	SLC6A3	21	43
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852313010	FD	On-Demand	Anodyne	DRD3	16	45
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852313010	FD	On-Demand	Anodyne	HDAC4	15	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852313010	FD	On-Demand	Anodyne	HDAC6	20	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852313010	FD	On-Demand	Anodyne	HDAC9	20	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C/c2ccccc2)C1	ZINC000852313010	FD	On-Demand	Anodyne	HDAC7	30	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852313011	FD	On-Demand	Anodyne	DRD3	16	45
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852313011	FD	On-Demand	Anodyne	HDAC4	15	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852313011	FD	On-Demand	Anodyne	HDAC6	20	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852313011	FD	On-Demand	Anodyne	HDAC9	20	40
COC(=O)[C@@H]1C[C@H](N(C)C(=O)NCCCNC(=O)/C=C\c2ccccc2)C1	ZINC000852313011	FD	On-Demand	Anodyne	HDAC7	30	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852313055	GH	On-Demand	Anodyne	DRD3	15	46
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852313056	GH	On-Demand	Anodyne	DRD3	15	46
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852313057	GH	On-Demand	Anodyne	DRD3	15	46
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852313058	GH	On-Demand	Anodyne	DRD3	15	46
O=C(NCCS(=O)(=O)CCc1ccccc1)N1CCC[C@H](C2CCC2)C1	ZINC000852313069	GF	On-Demand	Anodyne	PREP	41	38
O=C(NCCS(=O)(=O)CCc1ccccc1)N1CCC[C@@H](C2CCC2)C1	ZINC000852313070	GF	On-Demand	Anodyne	PREP	41	38
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852313092	FF	On-Demand	Anodyne	DRD3	16	46
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852313092	FF	On-Demand	Anodyne	HDAC8	34	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852313092	FF	On-Demand	Anodyne	HDAC1	20	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852313092	FF	On-Demand	Anodyne	HDAC6	20	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCC[C@H](CCF)C1	ZINC000852313093	FF	On-Demand	Anodyne	DRD3	16	46
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCC[C@H](CCF)C1	ZINC000852313093	FF	On-Demand	Anodyne	HDAC8	34	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCC[C@H](CCF)C1	ZINC000852313093	FF	On-Demand	Anodyne	HDAC1	20	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCC[C@H](CCF)C1	ZINC000852313093	FF	On-Demand	Anodyne	HDAC6	20	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852313094	FF	On-Demand	Anodyne	DRD3	16	46
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852313094	FF	On-Demand	Anodyne	HDAC8	34	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852313094	FF	On-Demand	Anodyne	HDAC1	20	40
O=C(/C=C\c1ccccc1)NCCCNC(=O)N1CCC[C@@H](CCF)C1	ZINC000852313094	FF	On-Demand	Anodyne	HDAC6	20	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCC[C@H](CCF)C1	ZINC000852313095	FF	On-Demand	Anodyne	DRD3	16	46
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCC[C@H](CCF)C1	ZINC000852313095	FF	On-Demand	Anodyne	HDAC8	34	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCC[C@H](CCF)C1	ZINC000852313095	FF	On-Demand	Anodyne	HDAC1	20	40
O=C(/C=C/c1ccccc1)NCCCNC(=O)N1CCC[C@H](CCF)C1	ZINC000852313095	FF	On-Demand	Anodyne	HDAC6	20	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852313105	FG	On-Demand	Mild	DRD3	15	45
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C/c1ccccc1	ZINC000852313105	FG	On-Demand	Mild	HDAC6	17	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852313106	FG	On-Demand	Mild	DRD3	15	45
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCCNC(=O)/C=C\c1ccccc1	ZINC000852313106	FG	On-Demand	Mild	HDAC6	17	40
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)N(C)C(=O)OC(C)(C)C	ZINC000852313137	GE	On-Demand	Anodyne	PYGL	30	43
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)N(C)C(=O)OC(C)(C)C	ZINC000852313137	GE	On-Demand	Anodyne	PYGM	27	43
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)N(C)C(=O)OC(C)(C)C	ZINC000852313137	GE	On-Demand	Anodyne	GZMB	43	34
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)N(C)C(=O)OC(C)(C)C	ZINC000852313137	GE	On-Demand	Anodyne	TPP2	43	31
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000852313174	GF	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000852313177	GF	On-Demand	Anodyne	CACNA1I	47	34
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCCc1ccco1	ZINC000852313259	FF	On-Demand	Anodyne	HDAC2	15	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCCc1ccco1	ZINC000852313259	FF	On-Demand	Anodyne	HDAC9	33	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCCc1ccco1	ZINC000852313259	FF	On-Demand	Anodyne	HDAC7	40	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCCc1ccco1	ZINC000852313260	FF	On-Demand	Anodyne	HDAC2	15	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCCc1ccco1	ZINC000852313260	FF	On-Demand	Anodyne	HDAC9	33	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCCc1ccco1	ZINC000852313260	FF	On-Demand	Anodyne	HDAC7	40	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCC1SCCS1	ZINC000852313277	GF	On-Demand	Anodyne	HDAC9	27	41
O=C(/C=C/c1ccccc1)NCCCNC(=O)NCCC1SCCS1	ZINC000852313277	GF	On-Demand	Anodyne	HDAC7	32	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCC1SCCS1	ZINC000852313278	GF	On-Demand	Anodyne	HDAC9	27	41
O=C(/C=C\c1ccccc1)NCCCNC(=O)NCCC1SCCS1	ZINC000852313278	GF	On-Demand	Anodyne	HDAC7	32	41
O=C(NCc1ncccn1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCCCC1	ZINC000852313295	GJ	On-Demand	Anodyne	CCR2	58	38
O=C(NCc1ncccn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CCCCC1	ZINC000852313296	GJ	On-Demand	Anodyne	CCR2	58	38
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](Cn3ccnn3)C2)c1	ZINC000852313358	EC	On-Demand	Reactive	DRD4	17	45
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](Cn3ccnn3)C2)c1	ZINC000852313358	EC	On-Demand	Reactive	KCNK3	51	36
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](Cn3ccnn3)C2)c1	ZINC000852313358	EC	On-Demand	Reactive	KCNK9	41	35
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](Cn3ccnn3)C2)c1	ZINC000852313359	EC	On-Demand	Reactive	DRD4	17	45
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](Cn3ccnn3)C2)c1	ZINC000852313359	EC	On-Demand	Reactive	KCNK3	51	36
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](Cn3ccnn3)C2)c1	ZINC000852313359	EC	On-Demand	Reactive	KCNK9	41	35
CC(C)(C)OC(=O)N1CCC(CN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000852313461	EE	On-Demand	Anodyne	GPR119	39	41
CC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000852313462	EE	On-Demand	Anodyne	GPR119	39	41
O[C@H](CCN1CC[C@@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852313507	CD	On-Demand	Anodyne	SLC6A3	23	53
O[C@H](CCN1CC[C@@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852313507	CD	On-Demand	Anodyne	GRIN2B	17	40
O[C@H](CCN1CC[C@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852313508	CD	On-Demand	Anodyne	SLC6A3	23	53
O[C@H](CCN1CC[C@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852313508	CD	On-Demand	Anodyne	GRIN2B	17	40
O[C@@H](CCN1CC[C@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852313509	CD	On-Demand	Anodyne	SLC6A3	23	53
O[C@@H](CCN1CC[C@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852313509	CD	On-Demand	Anodyne	GRIN2B	17	40
O[C@@H](CCN1CC[C@@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852313510	CD	On-Demand	Anodyne	SLC6A3	23	53
O[C@@H](CCN1CC[C@@H](Cn2ccnn2)C1)c1ccccc1	ZINC000852313510	CD	On-Demand	Anodyne	GRIN2B	17	40
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000852313592	GF	On-Demand	Anodyne	GRIN2B	48	52
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000852313592	GF	On-Demand	Anodyne	TGM2	24	41
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000852313592	GF	On-Demand	Anodyne	F13A1	31	41
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000852313592	GF	On-Demand	Anodyne	SLC12A5	45	35
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000852313593	GF	On-Demand	Anodyne	GRIN2B	48	52
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000852313593	GF	On-Demand	Anodyne	TGM2	24	41
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000852313593	GF	On-Demand	Anodyne	F13A1	31	41
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000852313593	GF	On-Demand	Anodyne	SLC12A5	45	35
O=C(Cc1ccccc1)OCCN1CC[C@H](Cn2ccnn2)C1	ZINC000852313632	DD	On-Demand	Anodyne	LTA4H	15	46
O=C(Cc1ccccc1)OCCN1CC[C@@H](Cn2ccnn2)C1	ZINC000852313633	DD	On-Demand	Anodyne	LTA4H	15	46
O=C(CCN1CC[C@H](Cn2ccnn2)C1)OCc1ccccc1	ZINC000852313686	DD	On-Demand	Anodyne	SLC12A5	48	36
O=C(CCN1CC[C@@H](Cn2ccnn2)C1)OCc1ccccc1	ZINC000852313687	DD	On-Demand	Anodyne	SLC12A5	48	36
c1ccc(Cn2cc(CN3CC[C@H](Cn4ccnn4)C3)nn2)cc1	ZINC000852313801	DD	On-Demand	Anodyne	DRD4	21	40
c1ccc(Cn2cc(CN3CC[C@H](Cn4ccnn4)C3)nn2)cc1	ZINC000852313801	DD	On-Demand	Anodyne	ACHE	28	40
c1ccc(Cn2cc(CN3CC[C@@H](Cn4ccnn4)C3)nn2)cc1	ZINC000852313802	DD	On-Demand	Anodyne	DRD4	21	40
c1ccc(Cn2cc(CN3CC[C@@H](Cn4ccnn4)C3)nn2)cc1	ZINC000852313802	DD	On-Demand	Anodyne	ACHE	28	40
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@H](Cn2ccnn2)C1	ZINC000852313945	ED	On-Demand	Anodyne	G2YM83_BOTF4	66	34
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@@H](Cn2ccnn2)C1	ZINC000852313950	ED	On-Demand	Anodyne	G2YM83_BOTF4	66	34
Cc1cc(C(=O)CN2CC[C@H](Cn3ccnn3)C2)c(C)n1Cc1ccc(F)cc1	ZINC000852313973	GG	On-Demand	Anodyne	CCR3	69	37
Cc1cc(C(=O)CN2CC[C@@H](Cn3ccnn3)C2)c(C)n1Cc1ccc(F)cc1	ZINC000852313978	GG	On-Demand	Anodyne	CCR3	69	37
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852313983	FD	On-Demand	Anodyne	MTOR	75	36
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852313983	FD	On-Demand	Anodyne	STAT6	56	31
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852313985	FD	On-Demand	Anodyne	MTOR	75	36
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852313985	FD	On-Demand	Anodyne	STAT6	56	31
CCN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852314101	GE	On-Demand	Anodyne	NPY1R	31	40
CCN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852314101	GE	On-Demand	Anodyne	CCKAR	26	45
CCN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852314101	GE	On-Demand	Anodyne	CCKBR	32	45
CCN1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852314102	GE	On-Demand	Anodyne	NPY1R	31	40
CCN1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852314102	GE	On-Demand	Anodyne	CCKAR	26	45
CCN1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852314102	GE	On-Demand	Anodyne	CCKBR	32	45
COC(=O)c1ccc(CNC(=O)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)c(F)c1	ZINC000852314103	GF	On-Demand	Anodyne	BDKRB1	18	41
COC(=O)c1ccc(CNC(=O)NC[C@H](C)N(C)C(=O)OC(C)(C)C)c(F)c1	ZINC000852314104	GF	On-Demand	Anodyne	BDKRB1	18	41
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2ccc(OC)c(OC)c2)CC12CCC2	ZINC000852314122	GE	On-Demand	Anodyne	ENPP1	79	40
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2ccc(OC)c(OC)c2)CC12CCC2	ZINC000852314123	GE	On-Demand	Anodyne	ENPP1	79	40
CCOC(=O)[C@@]1(F)CN(CC(=O)NCc2ccc3c(c2)OCO3)CC12CCC2	ZINC000852314128	GD	On-Demand	Anodyne	NOS2	102	44
CCOC(=O)[C@]1(F)CN(CC(=O)NCc2ccc3c(c2)OCO3)CC12CCC2	ZINC000852314129	GD	On-Demand	Anodyne	NOS2	102	44
CCOC(=O)[C@@]1(F)CN(Cc2cc(=O)oc3cc(O)ccc23)CC12CCC2	ZINC000852314162	GF	On-Demand	Anodyne	HSD17B3	31	47
CCOC(=O)[C@]1(F)CN(Cc2cc(=O)oc3cc(O)ccc23)CC12CCC2	ZINC000852314163	GF	On-Demand	Anodyne	HSD17B3	31	47
Cc1cc(C(=O)CN2CC[C@H](Cn3ccnn3)C2)c(C)n1Cc1ccccc1	ZINC000852314218	GF	On-Demand	Anodyne	ACHE	37	40
Cc1cc(C(=O)CN2CC[C@@H](Cn3ccnn3)C2)c(C)n1Cc1ccccc1	ZINC000852314220	GF	On-Demand	Anodyne	ACHE	37	40
CCOC(=O)[C@@]1(F)CN(CCC(=O)Nc2cccc(C#N)c2)CC12CCC2	ZINC000852314226	FF	On-Demand	Mild	MCHR1	33	45
CCOC(=O)[C@]1(F)CN(CCC(=O)Nc2cccc(C#N)c2)CC12CCC2	ZINC000852314229	FF	On-Demand	Mild	MCHR1	33	45
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2nccs2)CC12CCC2	ZINC000852314239	ED	On-Demand	Anodyne	MAP1	92	45
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2nccs2)CC12CCC2	ZINC000852314241	ED	On-Demand	Anodyne	MAP1	92	45
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1cccnc1Cl	ZINC000852314251	DD	On-Demand	Anodyne	G2YM83_BOTF4	58	33
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1cccnc1Cl	ZINC000852314252	DD	On-Demand	Anodyne	G2YM83_BOTF4	58	33
O=C(CN1CC[C@H](Cn2ccnn2)C1)OCc1ccccc1	ZINC000852314278	DD	On-Demand	Anodyne	GRIN2B	38	42
O=C(CN1CC[C@H](Cn2ccnn2)C1)OCc1ccccc1	ZINC000852314278	DD	On-Demand	Anodyne	CCR5	32	40
O=C(CN1CC[C@H](Cn2ccnn2)C1)OCc1ccccc1	ZINC000852314278	DD	On-Demand	Anodyne	SLC12A5	58	37
O=C(CN1CC[C@@H](Cn2ccnn2)C1)OCc1ccccc1	ZINC000852314279	DD	On-Demand	Anodyne	GRIN2B	38	42
O=C(CN1CC[C@@H](Cn2ccnn2)C1)OCc1ccccc1	ZINC000852314279	DD	On-Demand	Anodyne	CCR5	32	40
O=C(CN1CC[C@@H](Cn2ccnn2)C1)OCc1ccccc1	ZINC000852314279	DD	On-Demand	Anodyne	SLC12A5	58	37
N#Cc1ccc(OCCCN2CC[C@H](Cn3ccnn3)C2)cc1	ZINC000852314287	DD	On-Demand	Mild	HRH3	48	53
N#Cc1ccc(OCCCN2CC[C@H](Cn3ccnn3)C2)cc1	ZINC000852314287	DD	On-Demand	Mild	MEN1	56	46
N#Cc1ccc(OCCCN2CC[C@@H](Cn3ccnn3)C2)cc1	ZINC000852314288	DD	On-Demand	Mild	HRH3	48	53
N#Cc1ccc(OCCCN2CC[C@@H](Cn3ccnn3)C2)cc1	ZINC000852314288	DD	On-Demand	Mild	MEN1	56	46
O=C(CN1CC[C@@H](Cn2ccnn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852314301	FC	On-Demand	Reactive	CACNA1I	58	45
O=C(CN1CC[C@H](Cn2ccnn2)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852314302	FC	On-Demand	Reactive	CACNA1I	58	45
C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NCc1ncccn1	ZINC000852314514	FD	On-Demand	Anodyne	NAMPT	28	41
CCOC(=O)[C@]1(F)CN(CC(=O)NCc2cccnc2)CC12CCC2	ZINC000852314576	ED	On-Demand	Anodyne	NAMPT	55	38
CCOC(=O)[C@@]1(F)CN(CC(=O)NCc2cccnc2)CC12CCC2	ZINC000852314577	ED	On-Demand	Anodyne	NAMPT	55	38
CCOC(=O)[C@@]1(F)CN(C[C@H](O)Cc2ccccc2)CC12CCC2	ZINC000852314601	EE	On-Demand	Anodyne	SLC12A5	42	31
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)Cc2ccccc2)CC12CCC2	ZINC000852314602	EE	On-Demand	Anodyne	SLC12A5	42	31
CCOC(=O)[C@]1(F)CN(C[C@@H](O)Cc2ccccc2)CC12CCC2	ZINC000852314603	EE	On-Demand	Anodyne	SLC12A5	42	31
CCOC(=O)[C@]1(F)CN(C[C@H](O)Cc2ccccc2)CC12CCC2	ZINC000852314604	EE	On-Demand	Anodyne	SLC12A5	42	31
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852314626	FE	On-Demand	Anodyne	MAPK1	22	40
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852314627	FE	On-Demand	Anodyne	MAPK1	22	40
COc1cccc([C@]2(C)CCN(C(=O)NCCSSC)C2)c1	ZINC000852314701	EG	On-Demand	Reactive	DRD4	44	33
COc1cccc([C@]2(C)CCN(C(=O)NCCSSC)C2)c1	ZINC000852314701	EG	On-Demand	Reactive	MTNR1A	38	40
COc1cccc([C@]2(C)CCN(C(=O)NCCSSC)C2)c1	ZINC000852314701	EG	On-Demand	Reactive	MTNR1B	36	40
C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NCc1ncccn1	ZINC000852314716	FD	On-Demand	Anodyne	NAMPT	28	41
CCOC(=O)[C@@]1(F)CN(CCn2ccnc2)CC12CCC2	ZINC000852314773	CD	On-Demand	Anodyne	TBXAS1	18	41
CCOC(=O)[C@]1(F)CN(CCn2ccnc2)CC12CCC2	ZINC000852314775	CD	On-Demand	Anodyne	TBXAS1	18	41
O=C(CN1CC[C@@H](Cn2ccnn2)C1)NNC(=O)c1ccccc1	ZINC000852314853	EC	On-Demand	Reactive	ACHE	15	42
O=C(CN1CC[C@H](Cn2ccnn2)C1)NNC(=O)c1ccccc1	ZINC000852314855	EC	On-Demand	Reactive	ACHE	15	42
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852314889	FF	On-Demand	Anodyne	DRD4	18	43
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852314892	FF	On-Demand	Anodyne	DRD4	18	43
CCOC(=O)[C@]1(F)CN(C[C@H](O)COCc2ccccc2)CC12CCC2	ZINC000852314896	FE	On-Demand	Anodyne	SLC12A5	65	33
COc1ccc2c(CN3CC[C@@H](Cn4ccnn4)C3)cc(=O)oc2c1	ZINC000852314900	ED	On-Demand	Anodyne	CYP19A1	16	54
COc1ccc2c(CN3CC[C@@H](Cn4ccnn4)C3)cc(=O)oc2c1	ZINC000852314900	ED	On-Demand	Anodyne	CYP11B1	19	46
COc1ccc2c(CN3CC[C@H](Cn4ccnn4)C3)cc(=O)oc2c1	ZINC000852314901	ED	On-Demand	Anodyne	CYP19A1	16	54
COc1ccc2c(CN3CC[C@H](Cn4ccnn4)C3)cc(=O)oc2c1	ZINC000852314901	ED	On-Demand	Anodyne	CYP11B1	19	46
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COCc2ccccc2)CC12CCC2	ZINC000852314915	FE	On-Demand	Anodyne	SLC12A5	65	33
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc2ccccc2c1	ZINC000852314919	EE	On-Demand	Anodyne	DRD4	18	41
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc2ccccc2c1	ZINC000852314919	EE	On-Demand	Anodyne	IMDH_CRYPV	15	40
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COCc2ccccc2)CC12CCC2	ZINC000852314920	FE	On-Demand	Anodyne	SLC12A5	65	33
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc2ccccc2c1	ZINC000852314921	EE	On-Demand	Anodyne	DRD4	18	41
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc2ccccc2c1	ZINC000852314921	EE	On-Demand	Anodyne	IMDH_CRYPV	15	40
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COCc2ccccc2)CC12CCC2	ZINC000852314923	FE	On-Demand	Anodyne	SLC12A5	65	33
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314956	GF	On-Demand	Anodyne	ADRB2	15	46
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314956	GF	On-Demand	Anodyne	ADRB1	17	46
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314956	GF	On-Demand	Anodyne	HTR1A	16	49
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314956	GF	On-Demand	Anodyne	SLC6A4	17	43
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314956	GF	On-Demand	Anodyne	ABCB1	45	36
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314960	GF	On-Demand	Anodyne	ADRB2	15	46
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314960	GF	On-Demand	Anodyne	ADRB1	17	46
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314960	GF	On-Demand	Anodyne	HTR1A	16	49
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314960	GF	On-Demand	Anodyne	SLC6A4	17	43
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314960	GF	On-Demand	Anodyne	ABCB1	45	36
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314964	GF	On-Demand	Anodyne	ADRB2	15	46
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314964	GF	On-Demand	Anodyne	ADRB1	17	46
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314964	GF	On-Demand	Anodyne	HTR1A	16	49
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314964	GF	On-Demand	Anodyne	SLC6A4	17	43
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314964	GF	On-Demand	Anodyne	ABCB1	45	36
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314966	GF	On-Demand	Anodyne	ADRB2	15	46
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314966	GF	On-Demand	Anodyne	ADRB1	17	46
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314966	GF	On-Demand	Anodyne	HTR1A	16	49
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314966	GF	On-Demand	Anodyne	SLC6A4	17	43
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc3[nH]ccc23)CC12CCC2	ZINC000852314966	GF	On-Demand	Anodyne	ABCB1	45	36
O=C(CCN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852315023	GD	On-Demand	Anodyne	MTOR	52	34
O=C(CCN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852315023	GD	On-Demand	Anodyne	STAT6	46	31
O=C(CCN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852315024	GD	On-Demand	Anodyne	MTOR	52	34
O=C(CCN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852315024	GD	On-Demand	Anodyne	STAT6	46	31
N#CCn1c(CN2CC[C@H](Cn3ccnn3)C2)nc2ccccc2c1=O	ZINC000852315136	ED	On-Demand	Mild	Q8MHZ5_SHEEP	48	32
N#CCn1c(CN2CC[C@@H](Cn3ccnn3)C2)nc2ccccc2c1=O	ZINC000852315156	ED	On-Demand	Mild	Q8MHZ5_SHEEP	48	32
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@H](Cn3ccnn3)C2)CC1	ZINC000852315196	FF	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@@H](Cn3ccnn3)C2)CC1	ZINC000852315198	FF	On-Demand	Anodyne	GPR119	36	42
O=S(=O)(CCN1CC[C@H](Cn2ccnn2)C1)Cc1ccccc1	ZINC000852315256	ED	On-Demand	Anodyne	SIGMAR1	21	41
O=S(=O)(CCN1CC[C@@H](Cn2ccnn2)C1)Cc1ccccc1	ZINC000852315264	ED	On-Demand	Anodyne	SIGMAR1	21	41
CCOC(=O)[C@]1(F)CN([C@H](C)C(=O)Nc2nccs2)CC12CCC2	ZINC000852315267	FE	On-Demand	Anodyne	MAP1	81	39
CCOC(=O)[C@@]1(F)CN([C@H](C)C(=O)Nc2nccs2)CC12CCC2	ZINC000852315268	FE	On-Demand	Anodyne	MAP1	81	39
CCOC(=O)[C@]1(F)CN([C@@H](C)C(=O)Nc2nccs2)CC12CCC2	ZINC000852315269	FE	On-Demand	Anodyne	MAP1	81	39
CCOC(=O)[C@@]1(F)CN([C@@H](C)C(=O)Nc2nccs2)CC12CCC2	ZINC000852315270	FE	On-Demand	Anodyne	MAP1	81	39
CCOC(=O)[C@]1(F)CN(CC(=O)NNC(=O)c2cccc(C)c2)CC12CCC2	ZINC000852315272	GD	On-Demand	Reactive	KCNK3	46	34
CCN1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1=O	ZINC000852315278	CC	On-Demand	Reactive	F10	35	40
CCN1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1=O	ZINC000852315279	CC	On-Demand	Reactive	F10	35	40
CCOC(=O)[C@]1(F)CN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC12CCC2	ZINC000852315294	GF	On-Demand	Bother	SLC27A4	42	31
CCOC(=O)[C@@]1(F)CN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC12CCC2	ZINC000852315295	GF	On-Demand	Bother	SLC27A4	42	31
O=C(CN1CC[C@@H](Cn2ccnn2)C1)NNC(=O)c1ccc(F)cc1	ZINC000852315334	EC	On-Demand	Reactive	WNT3A	45	34
O=C(CN1CC[C@H](Cn2ccnn2)C1)NNC(=O)c1ccc(F)cc1	ZINC000852315335	EC	On-Demand	Reactive	WNT3A	45	34
CCOC(=O)[C@]1(F)CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC12CCC2	ZINC000852315470	FG	On-Demand	Reactive	SLC27A4	43	33
CCOC(=O)[C@]1(F)CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC12CCC2	ZINC000852315471	FG	On-Demand	Reactive	SLC27A4	43	33
CCOC(=O)[C@@]1(F)CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC12CCC2	ZINC000852315473	FG	On-Demand	Reactive	SLC27A4	43	33
CCOC(=O)[C@@]1(F)CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC12CCC2	ZINC000852315475	FG	On-Demand	Reactive	SLC27A4	43	33
COC(=O)/C=C\c1ccc(OCCN2CC[C@@H](Cn3ccnn3)C2)cc1	ZINC000852315490	FD	On-Demand	Anodyne	LTA4H	17	44
COC(=O)/C=C\c1ccc(OCCN2CC[C@H](Cn3ccnn3)C2)cc1	ZINC000852315491	FD	On-Demand	Anodyne	LTA4H	17	44
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1=O	ZINC000852315544	ED	On-Demand	Clean	EPHX2	16	45
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O	ZINC000852315545	ED	On-Demand	Clean	EPHX2	16	45
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O	ZINC000852315546	ED	On-Demand	Clean	EPHX2	16	45
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1=O	ZINC000852315548	ED	On-Demand	Clean	EPHX2	16	45
CCOC(=O)[C@@]1(F)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC12CCC2	ZINC000852315552	GE	On-Demand	Bother	SLC27A4	51	33
CCOC(=O)[C@]1(F)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC12CCC2	ZINC000852315554	GE	On-Demand	Bother	SLC27A4	51	33
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852315619	GF	On-Demand	Anodyne	MAPK1	22	40
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852315620	GF	On-Demand	Anodyne	MAPK1	22	40
O=C(CN1CC[C@H](Cn2ccnn2)C1)Nc1ccc(N2CCCC2)cc1	ZINC000852315654	FD	On-Demand	Anodyne	MAPK1	22	40
O=C(CN1CC[C@@H](Cn2ccnn2)C1)Nc1ccc(N2CCCC2)cc1	ZINC000852315655	FD	On-Demand	Anodyne	MAPK1	22	40
O=c1cc(CN2CC[C@@H](Cn3ccnn3)C2)c2ccc(O)cc2o1	ZINC000852315656	ED	On-Demand	Anodyne	HSD17B3	25	43
O=c1cc(CN2CC[C@H](Cn3ccnn3)C2)c2ccc(O)cc2o1	ZINC000852315657	ED	On-Demand	Anodyne	HSD17B3	25	43
O=C(CN1CC[C@H](Cn2ccnn2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852315658	GC	On-Demand	Bother	MAPK1	23	41
O=C(CN1CC[C@H](Cn2ccnn2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852315658	GC	On-Demand	Bother	SSTR1	43	43
O=C(CN1CC[C@@H](Cn2ccnn2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852315659	GC	On-Demand	Bother	MAPK1	23	41
O=C(CN1CC[C@@H](Cn2ccnn2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852315659	GC	On-Demand	Bother	SSTR1	43	43
O=C(CN1CC[C@H](Cn2ccnn2)C1)NOCc1ccccc1	ZINC000852315745	DC	On-Demand	Anodyne	GRIN2B	31	42
O=C(CN1CC[C@H](Cn2ccnn2)C1)NOCc1ccccc1	ZINC000852315745	DC	On-Demand	Anodyne	SIGMAR1	26	40
O=C(CN1CC[C@@H](Cn2ccnn2)C1)NOCc1ccccc1	ZINC000852315746	DC	On-Demand	Anodyne	GRIN2B	31	42
O=C(CN1CC[C@@H](Cn2ccnn2)C1)NOCc1ccccc1	ZINC000852315746	DC	On-Demand	Anodyne	SIGMAR1	26	40
CCOC(=O)[C@@]1(F)CN(Cc2ccc(Cl)nc2)CC12CCC2	ZINC000852315784	EF	On-Demand	Anodyne	NACHRBETA2	44	34
CCOC(=O)[C@]1(F)CN(Cc2ccc(Cl)nc2)CC12CCC2	ZINC000852315785	EF	On-Demand	Anodyne	NACHRBETA2	44	34
CCOC(=O)[C@@]1(F)CN(CCCn2ccnc2)CC12CCC2	ZINC000852315927	DE	On-Demand	Anodyne	TBXAS1	28	40
CCOC(=O)[C@]1(F)CN(CCCn2ccnc2)CC12CCC2	ZINC000852315929	DE	On-Demand	Anodyne	TBXAS1	28	40
CCOC(=O)[C@]1(F)CN([C@@H](C)C(=O)Nc2cccnc2Cl)CC12CCC2	ZINC000852316221	GF	On-Demand	Anodyne	G2YM83_BOTF4	57	33
CCOC(=O)[C@]1(F)CN([C@H](C)C(=O)Nc2cccnc2Cl)CC12CCC2	ZINC000852316222	GF	On-Demand	Anodyne	G2YM83_BOTF4	57	33
CCOC(=O)[C@@]1(F)CN([C@@H](C)C(=O)Nc2cccnc2Cl)CC12CCC2	ZINC000852316223	GF	On-Demand	Anodyne	G2YM83_BOTF4	57	33
CCOC(=O)[C@@]1(F)CN([C@H](C)C(=O)Nc2cccnc2Cl)CC12CCC2	ZINC000852316224	GF	On-Demand	Anodyne	G2YM83_BOTF4	57	33
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2ccc(Cl)cn2)CC12CCC2	ZINC000852316235	FE	On-Demand	Anodyne	F10	46	31
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2ccc(Cl)cn2)CC12CCC2	ZINC000852316236	FE	On-Demand	Anodyne	F10	46	31
CCOC(=O)[C@@]1(F)CN(CCC(=O)Nc2ccccc2OCC)CC12CCC2	ZINC000852316267	GG	On-Demand	Anodyne	HCN1	41	34
CCOC(=O)[C@@]1(F)CN(CCC(=O)Nc2ccccc2OCC)CC12CCC2	ZINC000852316267	GG	On-Demand	Anodyne	HCN4	41	34
CCOC(=O)[C@]1(F)CN(CCC(=O)Nc2ccccc2OCC)CC12CCC2	ZINC000852316268	GG	On-Demand	Anodyne	HCN1	41	34
CCOC(=O)[C@]1(F)CN(CCC(=O)Nc2ccccc2OCC)CC12CCC2	ZINC000852316268	GG	On-Demand	Anodyne	HCN4	41	34
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2cccc(C#N)c2)CC12CCC2	ZINC000852316273	FE	On-Demand	Mild	MCHR1	41	45
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2cccc(C#N)c2)CC12CCC2	ZINC000852316274	FE	On-Demand	Mild	MCHR1	41	45
CCOC(=O)[C@@]1(F)CN(Cc2nc3ccccc3n2C)CC12CCC2	ZINC000852316328	EF	On-Demand	Anodyne	GRM2	21	44
CCOC(=O)[C@]1(F)CN(Cc2nc3ccccc3n2C)CC12CCC2	ZINC000852316329	EF	On-Demand	Anodyne	GRM2	21	44
CCOC(=O)[C@@]1(F)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC12CCC2	ZINC000852316378	FD	On-Demand	Bother	SLC27A4	43	32
CCOC(=O)[C@]1(F)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC12CCC2	ZINC000852316379	FD	On-Demand	Bother	SLC27A4	43	32
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2	ZINC000852316426	GE	On-Demand	Bother	ABCB1	54	39
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2	ZINC000852316427	GE	On-Demand	Bother	ABCB1	54	39
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2	ZINC000852316428	GE	On-Demand	Bother	ABCB1	54	39
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCC2	ZINC000852316429	GE	On-Demand	Bother	ABCB1	54	39
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2cccnc2Cl)CC12CCC2	ZINC000852316464	FE	On-Demand	Anodyne	G2YM83_BOTF4	65	33
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2cccnc2Cl)CC12CCC2	ZINC000852316465	FE	On-Demand	Anodyne	G2YM83_BOTF4	65	33
CCOC(=O)[C@]1(F)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852316496	FE	On-Demand	Bother	CACNA1C	57	37
CCOC(=O)[C@]1(F)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852316496	FE	On-Demand	Bother	CACNA1D	87	36
CCOC(=O)[C@]1(F)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852316497	FE	On-Demand	Bother	CACNA1C	57	37
CCOC(=O)[C@]1(F)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852316497	FE	On-Demand	Bother	CACNA1D	87	36
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852316498	FE	On-Demand	Bother	CACNA1C	57	37
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852316498	FE	On-Demand	Bother	CACNA1D	87	36
CCOC(=O)[C@@]1(F)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852316499	FE	On-Demand	Bother	CACNA1C	57	37
CCOC(=O)[C@@]1(F)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852316499	FE	On-Demand	Bother	CACNA1D	87	36
CCOC(=O)[C@]1(F)CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2	ZINC000852316516	GF	On-Demand	Bother	COLA	94	38
CCOC(=O)[C@@]1(F)CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2	ZINC000852316517	GF	On-Demand	Bother	COLA	94	38
CCOC(=O)[C@]1(F)CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2	ZINC000852316518	GF	On-Demand	Bother	COLA	94	38
CCOC(=O)[C@@]1(F)CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2	ZINC000852316519	GF	On-Demand	Bother	COLA	94	38
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2ccc3c(c2)OCO3)CC12CCC2	ZINC000852316604	GE	On-Demand	Anodyne	NR5A1	15	41
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2ccc3c(c2)OCO3)CC12CCC2	ZINC000852316605	GE	On-Demand	Anodyne	NR5A1	15	41
COC(=O)c1cn(CCNC(=O)NNc2ccc(Cl)cn2)nn1	ZINC000852316729	EC	On-Demand	Reactive	F10	47	31
CCOC(=O)[C@]1(F)CN(Cc2cccc(C#N)c2)CC12CCC2	ZINC000852316783	DF	On-Demand	Mild	SLC12A5	19	42
CCOC(=O)[C@@]1(F)CN(Cc2cccc(C#N)c2)CC12CCC2	ZINC000852316784	DF	On-Demand	Mild	SLC12A5	19	42
O=C(Nc1ccccc1)c1ccc(CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000852316956	IJ	On-Demand	Mild	TAAR1	46	53
O=C(Nc1ccccc1)c1ccc(CON=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000852316956	IJ	On-Demand	Mild	NOD2	40	33
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2ccccc2)CC12CCC2	ZINC000852316957	FE	On-Demand	Anodyne	ACOX1	45	34
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2ccccc2)CC12CCC2	ZINC000852316957	FE	On-Demand	Anodyne	ABCB1	65	41
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2ccccc2)CC12CCC2	ZINC000852316959	FE	On-Demand	Anodyne	ACOX1	45	34
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2ccccc2)CC12CCC2	ZINC000852316959	FE	On-Demand	Anodyne	ABCB1	65	41
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2ccccc2)CC12CCC2	ZINC000852316962	FE	On-Demand	Anodyne	ACOX1	45	34
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2ccccc2)CC12CCC2	ZINC000852316962	FE	On-Demand	Anodyne	ABCB1	65	41
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2ccccc2)CC12CCC2	ZINC000852316963	FE	On-Demand	Anodyne	ACOX1	45	34
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2ccccc2)CC12CCC2	ZINC000852316963	FE	On-Demand	Anodyne	ABCB1	65	41
O=C(NCc1ncccn1)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000852317095	GG	On-Demand	Anodyne	CCR2	42	36
O=C(NCc1ncccn1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000852317096	GG	On-Demand	Anodyne	CCR2	42	36
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2ccsc2C(=O)OC)CC12CCC2	ZINC000852317105	GE	On-Demand	Anodyne	FAS	32	42
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2ccsc2C(=O)OC)CC12CCC2	ZINC000852317109	GE	On-Demand	Anodyne	FAS	32	42
CCOC(=O)[C@@]1(F)CN(Cc2nccn2Cc2ccccc2)CC12CCC2	ZINC000852317137	FG	On-Demand	Anodyne	SLC12A5	44	32
CCOC(=O)[C@]1(F)CN(Cc2nccn2Cc2ccccc2)CC12CCC2	ZINC000852317139	FG	On-Demand	Anodyne	SLC12A5	44	32
COc1ccc(N2CC[C@H](NC(=O)NCCC3(O)CCC3)C2)cc1	ZINC000852317163	ED	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NCCC3(O)CCC3)C2)cc1	ZINC000852317163	ED	On-Demand	Clean	MTNR1B	16	45
CCOC(=O)[C@@]1(F)CN(CC(=O)NCc2ccc(OC)cc2)CC12CCC2	ZINC000852317171	GE	On-Demand	Anodyne	CA9	17	42
CCOC(=O)[C@]1(F)CN(CC(=O)NCc2ccc(OC)cc2)CC12CCC2	ZINC000852317172	GE	On-Demand	Anodyne	CA9	17	42
O[C@@H](CN1CC[C@@H](Cn2ccnn2)C1)c1ccc(F)cc1	ZINC000852317225	CD	On-Demand	Anodyne	SLC6A3	23	42
O[C@H](CN1CC[C@@H](Cn2ccnn2)C1)c1ccc(F)cc1	ZINC000852317226	CD	On-Demand	Anodyne	SLC6A3	23	42
O[C@H](CN1CC[C@H](Cn2ccnn2)C1)c1ccc(F)cc1	ZINC000852317227	CD	On-Demand	Anodyne	SLC6A3	23	42
O[C@@H](CN1CC[C@H](Cn2ccnn2)C1)c1ccc(F)cc1	ZINC000852317228	CD	On-Demand	Anodyne	SLC6A3	23	42
CCOC(=O)[C@@]1(F)CN(CCc2c(C)nc3ccccn3c2=O)CC12CCC2	ZINC000852317264	GE	On-Demand	Anodyne	ADRA2A	28	45
CCOC(=O)[C@@]1(F)CN(CCc2c(C)nc3ccccn3c2=O)CC12CCC2	ZINC000852317264	GE	On-Demand	Anodyne	ADRA2B	34	45
CCOC(=O)[C@@]1(F)CN(CCc2c(C)nc3ccccn3c2=O)CC12CCC2	ZINC000852317264	GE	On-Demand	Anodyne	ADRA2C	18	45
CCOC(=O)[C@]1(F)CN(CCc2c(C)nc3ccccn3c2=O)CC12CCC2	ZINC000852317265	GE	On-Demand	Anodyne	ADRA2A	28	45
CCOC(=O)[C@]1(F)CN(CCc2c(C)nc3ccccn3c2=O)CC12CCC2	ZINC000852317265	GE	On-Demand	Anodyne	ADRA2B	34	45
CCOC(=O)[C@]1(F)CN(CCc2c(C)nc3ccccn3c2=O)CC12CCC2	ZINC000852317265	GE	On-Demand	Anodyne	ADRA2C	18	45
O=C(NCc1ncccn1)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1	ZINC000852317300	FI	On-Demand	Anodyne	CNR1	17	43
O=C(NCc1ncccn1)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1	ZINC000852317301	FI	On-Demand	Anodyne	CNR1	17	43
O=C(NCc1ncccn1)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1	ZINC000852317302	FI	On-Demand	Anodyne	CNR1	17	43
O=C(NCc1ncccn1)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1	ZINC000852317303	FI	On-Demand	Anodyne	CNR1	17	43
CCOC(=O)[C@@]1(F)CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852317334	FG	On-Demand	Reactive	CACNA1C	48	38
CCOC(=O)[C@@]1(F)CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852317334	FG	On-Demand	Reactive	CACNA1D	75	38
CCOC(=O)[C@@]1(F)CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852317335	FG	On-Demand	Reactive	CACNA1C	48	38
CCOC(=O)[C@@]1(F)CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852317335	FG	On-Demand	Reactive	CACNA1D	75	38
CCOC(=O)[C@]1(F)CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852317336	FG	On-Demand	Reactive	CACNA1C	48	38
CCOC(=O)[C@]1(F)CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852317336	FG	On-Demand	Reactive	CACNA1D	75	38
CCOC(=O)[C@]1(F)CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852317337	FG	On-Demand	Reactive	CACNA1C	48	38
CCOC(=O)[C@]1(F)CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852317337	FG	On-Demand	Reactive	CACNA1D	75	38
CCOC(=O)[C@@]1(F)CN([C@H](C(=O)N(C)C)c2ccccc2)CC12CCC2	ZINC000852317361	FF	On-Demand	Anodyne	NPY2R	52	37
CCOC(=O)[C@]1(F)CN([C@H](C(=O)N(C)C)c2ccccc2)CC12CCC2	ZINC000852317362	FF	On-Demand	Anodyne	NPY2R	52	37
CCOC(=O)[C@]1(F)CN([C@@H](C(=O)N(C)C)c2ccccc2)CC12CCC2	ZINC000852317363	FF	On-Demand	Anodyne	NPY2R	52	37
CCOC(=O)[C@@]1(F)CN([C@@H](C(=O)N(C)C)c2ccccc2)CC12CCC2	ZINC000852317364	FF	On-Demand	Anodyne	NPY2R	52	37
CCOC(=O)[C@]1(F)CN(Cc2ccc(C(=O)N3CCCC3)cc2)CC12CCC2	ZINC000852317365	GG	On-Demand	Anodyne	L3MBTL3	28	42
CCOC(=O)[C@@]1(F)CN(Cc2ccc(C(=O)N3CCCC3)cc2)CC12CCC2	ZINC000852317366	GG	On-Demand	Anodyne	L3MBTL3	28	42
COCCN(CCF)C(=O)NCc1ccn(Cc2ccccc2)n1	ZINC000852317502	EE	On-Demand	Anodyne	HDAC7	17	40
CCOC(=O)[C@]1(F)CN(CC(=O)N[C@H]2CCOc3ccccc32)CC12CCC2	ZINC000852317515	GE	On-Demand	Anodyne	BDKRB1	26	45
CCOC(=O)[C@]1(F)CN(CC(=O)N[C@H]2CCOc3ccccc32)CC12CCC2	ZINC000852317515	GE	On-Demand	Anodyne	BIRC3	34	40
CCOC(=O)[C@@]1(F)CN(CC(=O)N[C@@H]2CCOc3ccccc32)CC12CCC2	ZINC000852317516	GE	On-Demand	Anodyne	BDKRB1	26	45
CCOC(=O)[C@@]1(F)CN(CC(=O)N[C@@H]2CCOc3ccccc32)CC12CCC2	ZINC000852317516	GE	On-Demand	Anodyne	BIRC3	34	40
CCOC(=O)[C@]1(F)CN(CC(=O)N[C@@H]2CCOc3ccccc32)CC12CCC2	ZINC000852317517	GE	On-Demand	Anodyne	BDKRB1	26	45
CCOC(=O)[C@]1(F)CN(CC(=O)N[C@@H]2CCOc3ccccc32)CC12CCC2	ZINC000852317517	GE	On-Demand	Anodyne	BIRC3	34	40
CCOC(=O)[C@@]1(F)CN(CC(=O)N[C@H]2CCOc3ccccc32)CC12CCC2	ZINC000852317518	GE	On-Demand	Anodyne	BDKRB1	26	45
CCOC(=O)[C@@]1(F)CN(CC(=O)N[C@H]2CCOc3ccccc32)CC12CCC2	ZINC000852317518	GE	On-Demand	Anodyne	BIRC3	34	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cnc4n3CCCC4)C2)cc1	ZINC000852317578	FE	On-Demand	Clean	MTNR1B	15	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cnc4n3CCCC4)C2)cc1	ZINC000852317578	FE	On-Demand	Clean	NPBWR1	62	31
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2ccccc2F)CC12CCC2	ZINC000852317617	FE	On-Demand	Anodyne	ADRB2	19	42
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2ccccc2F)CC12CCC2	ZINC000852317617	FE	On-Demand	Anodyne	ABCB1	67	42
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2ccccc2F)CC12CCC2	ZINC000852317618	FE	On-Demand	Anodyne	ADRB2	19	42
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2ccccc2F)CC12CCC2	ZINC000852317618	FE	On-Demand	Anodyne	ABCB1	67	42
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2ccccc2F)CC12CCC2	ZINC000852317619	FE	On-Demand	Anodyne	ADRB2	19	42
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2ccccc2F)CC12CCC2	ZINC000852317619	FE	On-Demand	Anodyne	ABCB1	67	42
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](Cn3ccnn3)C2)cc1	ZINC000852317633	ED	On-Demand	Anodyne	ACOX1	43	32
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](Cn3ccnn3)C2)cc1	ZINC000852317633	ED	On-Demand	Anodyne	ABCB1	38	42
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](Cn3ccnn3)C2)cc1	ZINC000852317634	ED	On-Demand	Anodyne	ACOX1	43	32
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](Cn3ccnn3)C2)cc1	ZINC000852317634	ED	On-Demand	Anodyne	ABCB1	38	42
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](Cn3ccnn3)C2)cc1	ZINC000852317635	ED	On-Demand	Anodyne	ACOX1	43	32
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](Cn3ccnn3)C2)cc1	ZINC000852317635	ED	On-Demand	Anodyne	ABCB1	38	42
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](Cn3ccnn3)C2)cc1	ZINC000852317636	ED	On-Demand	Anodyne	ACOX1	43	32
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](Cn3ccnn3)C2)cc1	ZINC000852317636	ED	On-Demand	Anodyne	ABCB1	38	42
O=C(c1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1)N1CCCC1	ZINC000852317661	EE	On-Demand	Anodyne	HRH3	16	42
O=C(c1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1)N1CCCC1	ZINC000852317661	EE	On-Demand	Anodyne	L3MBTL3	93	57
O=C(c1ccc(CN2CC[C@@H](Cn3ccnn3)C2)cc1)N1CCCC1	ZINC000852317662	EE	On-Demand	Anodyne	HRH3	16	42
O=C(c1ccc(CN2CC[C@@H](Cn3ccnn3)C2)cc1)N1CCCC1	ZINC000852317662	EE	On-Demand	Anodyne	L3MBTL3	93	57
COc1ccc(N2CCN(C(=O)CN3CC[C@H](Cn4ccnn4)C3)CC2)cc1	ZINC000852317667	GC	On-Demand	Clean	MAPK1	23	43
COc1ccc(N2CCN(C(=O)CN3CC[C@@H](Cn4ccnn4)C3)CC2)cc1	ZINC000852317668	GC	On-Demand	Clean	MAPK1	23	43
Fc1cccc(OCCN2CC[C@@H](Cn3ccnn3)C2)c1	ZINC000852317751	CD	On-Demand	Anodyne	CHRNA10	37	43
Fc1cccc(OCCN2CC[C@H](Cn3ccnn3)C2)c1	ZINC000852317752	CD	On-Demand	Anodyne	CHRNA10	37	43
CCOC(=O)[C@@]1(F)CN(Cc2cc3ccccc3n(C)c2=O)CC12CCC2	ZINC000852317780	FF	On-Demand	Anodyne	NPSR1	32	43
CCOC(=O)[C@]1(F)CN(Cc2cc3ccccc3n(C)c2=O)CC12CCC2	ZINC000852317781	FF	On-Demand	Anodyne	NPSR1	32	43
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2ccccc2F)CC12CCC2	ZINC000852317811	FE	On-Demand	Anodyne	ADRB2	19	42
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2ccccc2F)CC12CCC2	ZINC000852317811	FE	On-Demand	Anodyne	ABCB1	67	42
CCOC(=O)[C@@]1(F)CN(CC(=O)NCc2cccc(OC)c2)CC12CCC2	ZINC000852317859	GE	On-Demand	Anodyne	MTNR1B	40	39
CCOC(=O)[C@]1(F)CN(CC(=O)NCc2cccc(OC)c2)CC12CCC2	ZINC000852317860	GE	On-Demand	Anodyne	MTNR1B	40	39
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](Cn3ccnn3)C2)c1	ZINC000852318002	FC	On-Demand	Anodyne	CCR3	33	45
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](Cn3ccnn3)C2)c1	ZINC000852318003	FC	On-Demand	Anodyne	CCR3	33	45
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC12CCC2	ZINC000852318496	GD	On-Demand	Anodyne	ACOX1	55	31
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2ccc3c(c2)OCO3)CC12CCC2	ZINC000852318497	GD	On-Demand	Anodyne	ACOX1	55	31
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC12CCC2	ZINC000852318498	GD	On-Demand	Anodyne	ACOX1	55	31
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2ccc3c(c2)OCO3)CC12CCC2	ZINC000852318499	GD	On-Demand	Anodyne	ACOX1	55	31
CCOC(=O)[C@@]1(F)CN(CC(=O)NCCc2ccccc2OC)CC12CCC2	ZINC000852318521	GE	On-Demand	Anodyne	MBTPS1	50	34
CCOC(=O)[C@]1(F)CN(CC(=O)NCCc2ccccc2OC)CC12CCC2	ZINC000852318522	GE	On-Demand	Anodyne	MBTPS1	50	34
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2ccccc2OCC)CC12CCC2	ZINC000852318578	GF	On-Demand	Anodyne	HCN1	44	35
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2ccccc2OCC)CC12CCC2	ZINC000852318578	GF	On-Demand	Anodyne	HCN4	42	35
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2ccccc2OCC)CC12CCC2	ZINC000852318579	GF	On-Demand	Anodyne	HCN1	44	35
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2ccccc2OCC)CC12CCC2	ZINC000852318579	GF	On-Demand	Anodyne	HCN4	42	35
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	SLC6A1	49	35
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	SIGMAR1	17	41
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	CTSK	19	45
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	CTSL	22	45
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	CCR3	17	40
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	DPP4	19	40
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	PREP	45	42
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	LGMN	65	40
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	DPP8	16	40
N#CC[C@@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318758	CE	On-Demand	Mild	SLC12A5	60	41
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	SLC6A1	49	35
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	SIGMAR1	17	41
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	CTSK	19	45
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	CTSL	22	45
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	CCR3	17	40
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	DPP4	19	40
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	PREP	45	42
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	LGMN	65	40
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	DPP8	16	40
N#CC[C@H]1CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852318759	CE	On-Demand	Mild	SLC12A5	60	41
Cc1nc(CN2CCC[C@@H](CC#N)C2)nc2ccccc12	ZINC000852318802	CG	On-Demand	Mild	Q8MHZ5_SHEEP	55	35
Cc1nc(CN2CCC[C@H](CC#N)C2)nc2ccccc12	ZINC000852318803	CG	On-Demand	Mild	Q8MHZ5_SHEEP	55	35
N#CC[C@@H]1CCCN(CCCON2C(=O)c3ccccc3C2=O)C1	ZINC000852318821	EE	On-Demand	Mild	SLC6A1	47	35
N#CC[C@H]1CCCN(CCCON2C(=O)c3ccccc3C2=O)C1	ZINC000852318822	EE	On-Demand	Mild	SLC6A1	47	35
Cc1cc(C(=O)CN2CCC[C@H](CC#N)C2)c(C)n1Cc1ccc2c(c1)OCO2	ZINC000852318827	GH	On-Demand	Mild	MCHR1	20	43
Cc1cc(C(=O)CN2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccc2c(c1)OCO2	ZINC000852318828	GH	On-Demand	Mild	MCHR1	20	43
N#CC[C@@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000852318835	FD	On-Demand	Mild	SSTR1	51	45
N#CC[C@H]1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000852318836	FD	On-Demand	Mild	SSTR1	51	45
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852318839	EC	On-Demand	Reactive	CACNA1D	52	35
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852318840	EC	On-Demand	Reactive	CACNA1D	52	35
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC12CCC2	ZINC000852318899	GE	On-Demand	Anodyne	ACOX1	49	33
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC12CCC2	ZINC000852318899	GE	On-Demand	Anodyne	ABCB1	36	51
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc(C(C)=O)c2)CC12CCC2	ZINC000852318900	GE	On-Demand	Anodyne	ACOX1	49	33
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc(C(C)=O)c2)CC12CCC2	ZINC000852318900	GE	On-Demand	Anodyne	ABCB1	36	51
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC12CCC2	ZINC000852318901	GE	On-Demand	Anodyne	ACOX1	49	33
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC12CCC2	ZINC000852318901	GE	On-Demand	Anodyne	ABCB1	36	51
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc(C(C)=O)c2)CC12CCC2	ZINC000852318902	GE	On-Demand	Anodyne	ACOX1	49	33
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc(C(C)=O)c2)CC12CCC2	ZINC000852318902	GE	On-Demand	Anodyne	ABCB1	36	51
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852318903	GE	On-Demand	Bother	ACOX1	43	31
CCOC(=O)[C@@]1(F)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852318903	GE	On-Demand	Bother	CACNA1D	55	33
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852318904	GE	On-Demand	Bother	ACOX1	43	31
CCOC(=O)[C@]1(F)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852318904	GE	On-Demand	Bother	CACNA1D	55	33
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852318905	GE	On-Demand	Bother	ACOX1	43	31
CCOC(=O)[C@]1(F)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852318905	GE	On-Demand	Bother	CACNA1D	55	33
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852318906	GE	On-Demand	Bother	ACOX1	43	31
CCOC(=O)[C@@]1(F)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCC2	ZINC000852318906	GE	On-Demand	Bother	CACNA1D	55	33
Cc1cc(C(=O)CN2CCC[C@H](CC#N)C2)c(C)n1Cc1ccc(F)cc1	ZINC000852318981	FI	On-Demand	Mild	CCR3	113	39
Cc1cc(C(=O)CN2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccc(F)cc1	ZINC000852318982	FI	On-Demand	Mild	CCR3	113	39
N#CC[C@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852319013	CD	On-Demand	Mild	LTA4H	25	40
N#CC[C@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852319013	CD	On-Demand	Mild	HRH3	30	44
N#CC[C@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852319013	CD	On-Demand	Mild	CHEK2	26	45
N#CC[C@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852319013	CD	On-Demand	Mild	LGMN	47	32
N#CC[C@@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852319014	CD	On-Demand	Mild	LTA4H	25	40
N#CC[C@@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852319014	CD	On-Demand	Mild	HRH3	30	44
N#CC[C@@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852319014	CD	On-Demand	Mild	CHEK2	26	45
N#CC[C@@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852319014	CD	On-Demand	Mild	LGMN	47	32
N#CC[C@H]1CCCN(CC(=O)Nc2cccnc2Cl)C1	ZINC000852319031	CE	On-Demand	Mild	G2YM83_BOTF4	44	32
N#CC[C@@H]1CCCN(CC(=O)Nc2cccnc2Cl)C1	ZINC000852319032	CE	On-Demand	Mild	G2YM83_BOTF4	44	32
N#CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1	ZINC000852319056	DD	On-Demand	Mild	LGMN	65	35
N#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1	ZINC000852319058	DD	On-Demand	Mild	LGMN	65	35
N#CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852319074	CF	On-Demand	Mild	LTA4H	19	40
N#CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852319074	CF	On-Demand	Mild	HRH3	26	44
N#CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852319074	CF	On-Demand	Mild	SIGMAR1	15	44
N#CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000852319076	CF	On-Demand	Mild	LTA4H	19	40
N#CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000852319076	CF	On-Demand	Mild	HRH3	26	44
N#CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000852319076	CF	On-Demand	Mild	SIGMAR1	15	44
N#CC[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000852319078	CF	On-Demand	Mild	LTA4H	37	42
N#CC[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000852319078	CF	On-Demand	Mild	HRH3	111	57
N#CC[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000852319078	CF	On-Demand	Mild	PSMB1	40	35
N#CC[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000852319078	CF	On-Demand	Mild	MEN1	55	49
N#CC[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000852319079	CF	On-Demand	Mild	LTA4H	37	42
N#CC[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000852319079	CF	On-Demand	Mild	HRH3	111	57
N#CC[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000852319079	CF	On-Demand	Mild	PSMB1	40	35
N#CC[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1	ZINC000852319079	CF	On-Demand	Mild	MEN1	55	49
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2cccc(OC)c2)CC12CCC2	ZINC000852319082	FE	On-Demand	Anodyne	MTNR1A	28	41
CCOC(=O)[C@@]1(F)CN(CC(=O)Nc2cccc(OC)c2)CC12CCC2	ZINC000852319082	FE	On-Demand	Anodyne	MTNR1B	34	43
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2cccc(OC)c2)CC12CCC2	ZINC000852319083	FE	On-Demand	Anodyne	MTNR1A	28	41
CCOC(=O)[C@]1(F)CN(CC(=O)Nc2cccc(OC)c2)CC12CCC2	ZINC000852319083	FE	On-Demand	Anodyne	MTNR1B	34	43
Cc1cc(C(=O)CN2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccccc1	ZINC000852319136	EH	On-Demand	Mild	SIGMAR1	16	42
Cc1cc(C(=O)CN2CCC[C@H](CC#N)C2)c(C)n1Cc1ccccc1	ZINC000852319137	EH	On-Demand	Mild	SIGMAR1	16	42
N#CC[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852319205	CE	On-Demand	Mild	SIGMAR1	19	40
N#CC[C@H]1CCCN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852319208	CE	On-Demand	Mild	SIGMAR1	19	40
CC(=O)c1ccc(N2CCN(C(=O)CN3CCC[C@@H](CC#N)C3)CC2)c(F)c1	ZINC000852319220	GE	On-Demand	Mild	MAPK1	18	45
CC(=O)c1ccc(N2CCN(C(=O)CN3CCC[C@@H](CC#N)C3)CC2)c(F)c1	ZINC000852319220	GE	On-Demand	Mild	SLC6A9	24	48
CC(=O)c1ccc(N2CCN(C(=O)CN3CCC[C@H](CC#N)C3)CC2)c(F)c1	ZINC000852319224	GE	On-Demand	Mild	MAPK1	18	45
CC(=O)c1ccc(N2CCN(C(=O)CN3CCC[C@H](CC#N)C3)CC2)c(F)c1	ZINC000852319224	GE	On-Demand	Mild	SLC6A9	24	48
Cc1cc(F)ccc1[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852319226	CF	On-Demand	Mild	CCR3	46	33
Cc1cc(F)ccc1[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852319228	CF	On-Demand	Mild	CCR3	46	33
N#CC[C@H]1CCCN(Cc2cnc(Cl)s2)C1	ZINC000852319260	CF	On-Demand	Mild	NACHRBETA2	20	44
N#CC[C@@H]1CCCN(Cc2cnc(Cl)s2)C1	ZINC000852319261	CF	On-Demand	Mild	NACHRBETA2	20	44
N#CC[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852319298	EE	On-Demand	Mild	MTOR	61	36
N#CC[C@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852319299	EE	On-Demand	Mild	MTOR	61	36
N#CC[C@H]1CCCN(Cc2cc(Cl)nc3ccccc23)C1	ZINC000852319309	CI	On-Demand	Mild	Q8MHZ5_SHEEP	58	36
N#CC[C@@H]1CCCN(Cc2cc(Cl)nc3ccccc23)C1	ZINC000852319310	CI	On-Demand	Mild	Q8MHZ5_SHEEP	58	36
N#CC[C@@H]1CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852319311	CE	On-Demand	Mild	SLC6A1	133	44
N#CC[C@@H]1CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852319311	CE	On-Demand	Mild	LTA4H	25	44
N#CC[C@@H]1CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852319311	CE	On-Demand	Mild	SIGMAR1	24	43
N#CC[C@H]1CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852319312	CE	On-Demand	Mild	SLC6A1	133	44
N#CC[C@H]1CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852319312	CE	On-Demand	Mild	LTA4H	25	44
N#CC[C@H]1CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852319312	CE	On-Demand	Mild	SIGMAR1	24	43
N#CC[C@@H]1CCCN(CCCNC(=O)C(F)(F)F)C1	ZINC000852319327	CD	On-Demand	Mild	CCR3	18	42
N#CC[C@H]1CCCN(CCCNC(=O)C(F)(F)F)C1	ZINC000852319328	CD	On-Demand	Mild	CCR3	18	42
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852319373	ED	On-Demand	Reactive	DRD4	40	32
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852319373	ED	On-Demand	Reactive	MCHR1	21	44
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852319373	ED	On-Demand	Reactive	CACNA1I	50	43
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852319374	ED	On-Demand	Reactive	DRD4	40	32
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852319374	ED	On-Demand	Reactive	MCHR1	21	44
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852319374	ED	On-Demand	Reactive	CACNA1I	50	43
CCOC(=O)C1=C(CN2CCC[C@H](CC#N)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852319377	GE	On-Demand	Mild	CACNA1C	26	40
CCOC(=O)C1=C(CN2CCC[C@H](CC#N)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852319377	GE	On-Demand	Mild	CACNA1D	30	40
CCOC(=O)C1=C(CN2CCC[C@H](CC#N)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852319377	GE	On-Demand	Mild	SLC27A4	78	36
CCOC(=O)C1=C(CN2CCC[C@H](CC#N)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852319378	GE	On-Demand	Mild	CACNA1C	26	40
CCOC(=O)C1=C(CN2CCC[C@H](CC#N)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852319378	GE	On-Demand	Mild	CACNA1D	30	40
CCOC(=O)C1=C(CN2CCC[C@H](CC#N)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852319378	GE	On-Demand	Mild	SLC27A4	78	36
CCOC(=O)C1=C(CN2CCC[C@@H](CC#N)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852319379	GE	On-Demand	Mild	CACNA1C	26	40
CCOC(=O)C1=C(CN2CCC[C@@H](CC#N)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852319379	GE	On-Demand	Mild	CACNA1D	30	40
CCOC(=O)C1=C(CN2CCC[C@@H](CC#N)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852319379	GE	On-Demand	Mild	SLC27A4	78	36
CCOC(=O)C1=C(CN2CCC[C@@H](CC#N)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852319380	GE	On-Demand	Mild	CACNA1C	26	40
CCOC(=O)C1=C(CN2CCC[C@@H](CC#N)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852319380	GE	On-Demand	Mild	CACNA1D	30	40
CCOC(=O)C1=C(CN2CCC[C@@H](CC#N)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852319380	GE	On-Demand	Mild	SLC27A4	78	36
N#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1	ZINC000852319409	GH	On-Demand	Mild	CCR3	42	40
N#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1	ZINC000852319409	GH	On-Demand	Mild	NR2E3	53	34
N#CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1	ZINC000852319410	GH	On-Demand	Mild	CCR3	42	40
N#CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1	ZINC000852319410	GH	On-Demand	Mild	NR2E3	53	34
N#CC[C@@H]1CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852319433	FG	On-Demand	Mild	HTR1A	26	52
N#CC[C@@H]1CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852319433	FG	On-Demand	Mild	SLC6A1	71	39
N#CC[C@@H]1CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852319433	FG	On-Demand	Mild	HTR7	17	44
N#CC[C@H]1CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852319434	FG	On-Demand	Mild	HTR1A	26	52
N#CC[C@H]1CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852319434	FG	On-Demand	Mild	SLC6A1	71	39
N#CC[C@H]1CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852319434	FG	On-Demand	Mild	HTR7	17	44
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	ZINC000852319453	EC	On-Demand	Reactive	CCR3	21	44
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	ZINC000852319454	EC	On-Demand	Reactive	CCR3	21	44
N#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1	ZINC000852319473	GG	On-Demand	Mild	CCR3	36	41
N#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1	ZINC000852319473	GG	On-Demand	Mild	PREP	23	48
N#CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1	ZINC000852319474	GG	On-Demand	Mild	CCR3	36	41
N#CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1	ZINC000852319474	GG	On-Demand	Mild	PREP	23	48
N#CC[C@@H]1CCCN(Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC000852319511	DE	On-Demand	Mild	Q8MHZ5_SHEEP	83	38
N#CC[C@H]1CCCN(Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC000852319512	DE	On-Demand	Mild	Q8MHZ5_SHEEP	83	38
N#CC[C@H]1CCCN(CCOc2cccc(F)c2)C1	ZINC000852319546	CF	On-Demand	Mild	SLC6A1	42	39
N#CC[C@H]1CCCN(CCOc2cccc(F)c2)C1	ZINC000852319546	CF	On-Demand	Mild	LTA4H	32	43
N#CC[C@H]1CCCN(CCOc2cccc(F)c2)C1	ZINC000852319546	CF	On-Demand	Mild	CHRNA10	68	48
N#CC[C@H]1CCCN(CCOc2cccc(F)c2)C1	ZINC000852319546	CF	On-Demand	Mild	MEN1	30	40
N#CC[C@@H]1CCCN(CCOc2cccc(F)c2)C1	ZINC000852319547	CF	On-Demand	Mild	SLC6A1	42	39
N#CC[C@@H]1CCCN(CCOc2cccc(F)c2)C1	ZINC000852319547	CF	On-Demand	Mild	LTA4H	32	43
N#CC[C@@H]1CCCN(CCOc2cccc(F)c2)C1	ZINC000852319547	CF	On-Demand	Mild	CHRNA10	68	48
N#CC[C@@H]1CCCN(CCOc2cccc(F)c2)C1	ZINC000852319547	CF	On-Demand	Mild	MEN1	30	40
N#CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852319552	DD	On-Demand	Mild	CA2	31	40
N#CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852319552	DD	On-Demand	Mild	CA1	32	40
N#CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852319552	DD	On-Demand	Mild	CA7	19	40
N#CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852319552	DD	On-Demand	Mild	CA9	26	40
N#CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852319553	DD	On-Demand	Mild	CA2	31	40
N#CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852319553	DD	On-Demand	Mild	CA1	32	40
N#CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852319553	DD	On-Demand	Mild	CA7	19	40
N#CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852319553	DD	On-Demand	Mild	CA9	26	40
N#CC[C@@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852319555	CD	On-Demand	Mild	CCR3	18	41
N#CC[C@@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852319555	CD	On-Demand	Mild	PREP	42	40
N#CC[C@@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852319555	CD	On-Demand	Mild	LGMN	71	41
N#CC[C@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852319556	CD	On-Demand	Mild	CCR3	18	41
N#CC[C@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852319556	CD	On-Demand	Mild	PREP	42	40
N#CC[C@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852319556	CD	On-Demand	Mild	LGMN	71	41
N#CC[C@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852319559	CF	On-Demand	Mild	HSD17B3	32	46
N#CC[C@@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852319560	CF	On-Demand	Mild	HSD17B3	32	46
N#CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852319571	BF	On-Demand	Mild	CHRNA3	15	42
N#CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852319571	BF	On-Demand	Mild	CHRNA4	20	42
N#CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852319571	BF	On-Demand	Mild	Q8WSF8_APLCA	46	45
N#CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852319571	BF	On-Demand	Mild	NACHRBETA2	48	45
N#CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852319572	BF	On-Demand	Mild	CHRNA3	15	42
N#CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852319572	BF	On-Demand	Mild	CHRNA4	20	42
N#CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852319572	BF	On-Demand	Mild	Q8WSF8_APLCA	46	45
N#CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852319572	BF	On-Demand	Mild	NACHRBETA2	48	45
N#CC[C@@H]1CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852319579	DG	On-Demand	Mild	Q8MHZ5_SHEEP	41	35
N#CC[C@@H]1CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852319579	DG	On-Demand	Mild	LUCI_PHOPY	64	44
N#CC[C@H]1CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852319580	DG	On-Demand	Mild	Q8MHZ5_SHEEP	41	35
N#CC[C@H]1CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852319580	DG	On-Demand	Mild	LUCI_PHOPY	64	44
N#CC[C@H]1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852319581	DG	On-Demand	Mild	Q8MHZ5_SHEEP	41	35
N#CC[C@H]1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852319581	DG	On-Demand	Mild	LUCI_PHOPY	64	44
N#CC[C@@H]1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852319582	DG	On-Demand	Mild	Q8MHZ5_SHEEP	41	35
N#CC[C@@H]1CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852319582	DG	On-Demand	Mild	LUCI_PHOPY	64	44
N#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1	ZINC000852319585	GH	On-Demand	Mild	CCR3	94	40
N#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1	ZINC000852319585	GH	On-Demand	Mild	NR2E3	61	34
N#CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1	ZINC000852319586	GH	On-Demand	Mild	CCR3	94	40
N#CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1	ZINC000852319586	GH	On-Demand	Mild	NR2E3	61	34
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	ZINC000852319597	DD	On-Demand	Reactive	SLC6A1	67	35
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	ZINC000852319598	DD	On-Demand	Reactive	SLC6A1	67	35
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](CC#N)C2)c1	ZINC000852319599	ED	On-Demand	Mild	CCR3	47	43
CS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](CC#N)C2)c1	ZINC000852319600	ED	On-Demand	Mild	CCR3	47	43
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	ZINC000852319601	DD	On-Demand	Reactive	CCR3	88	38
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	ZINC000852319602	DD	On-Demand	Reactive	CCR3	88	38
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](CC#N)C1	ZINC000852319603	ED	On-Demand	Reactive	SLC6A1	45	33
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@@H](CC#N)C1	ZINC000852319603	ED	On-Demand	Reactive	CCR3	20	41
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](CC#N)C1	ZINC000852319604	ED	On-Demand	Reactive	SLC6A1	45	33
Cc1ccccc1CC(=O)NNC(=O)CN1CCC[C@H](CC#N)C1	ZINC000852319604	ED	On-Demand	Reactive	CCR3	20	41
N#CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	ZINC000852319605	ED	On-Demand	Reactive	SLC6A1	70	37
N#CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	ZINC000852319606	ED	On-Demand	Reactive	SLC6A1	70	37
N#Cc1ccc(OCCCN[C@@H](CO)C2CCC2)cc1	ZINC000852319720	CE	On-Demand	Mild	MEN1	40	38
N#Cc1ccc(OCCCN[C@H](CO)C2CCC2)cc1	ZINC000852319722	CE	On-Demand	Mild	MEN1	40	38
N#CC[C@@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319745	CF	On-Demand	Mild	SLC6A1	116	38
N#CC[C@@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319745	CF	On-Demand	Mild	SIGMAR1	15	40
N#CC[C@@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319745	CF	On-Demand	Mild	PREP	51	40
N#CC[C@@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319745	CF	On-Demand	Mild	LGMN	55	39
N#CC[C@@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319745	CF	On-Demand	Mild	SLC12A5	50	40
N#CC[C@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319751	CF	On-Demand	Mild	SLC6A1	116	38
N#CC[C@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319751	CF	On-Demand	Mild	SIGMAR1	15	40
N#CC[C@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319751	CF	On-Demand	Mild	PREP	51	40
N#CC[C@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319751	CF	On-Demand	Mild	LGMN	55	39
N#CC[C@H]1CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852319751	CF	On-Demand	Mild	SLC12A5	50	40
CC(C)(C)OC(=O)N1CCC(CCCN2CCC[C@H](CC#N)C2)CC1	ZINC000852319756	EI	On-Demand	Mild	GPR119	28	41
CC(C)(C)OC(=O)N1CCC(CCCN2CCC[C@@H](CC#N)C2)CC1	ZINC000852319758	EI	On-Demand	Mild	GPR119	28	41
Cc1cc(C(=O)CN2CCC[C@@H](CC#N)C2)c(C)n1-c1ccc(F)cn1	ZINC000852319807	FG	On-Demand	Mild	CCR3	67	34
Cc1cc(C(=O)CN2CCC[C@H](CC#N)C2)c(C)n1-c1ccc(F)cn1	ZINC000852319808	FG	On-Demand	Mild	CCR3	67	34
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@@H](CC#N)C1	ZINC000852319811	DF	On-Demand	Mild	G2YM83_BOTF4	58	33
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@H](CC#N)C1	ZINC000852319814	DF	On-Demand	Mild	G2YM83_BOTF4	58	33
OC[C@@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCC1	ZINC000852319895	DF	On-Demand	Anodyne	LUCI_PHOPY	75	47
OC[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCC1	ZINC000852319897	DF	On-Demand	Anodyne	LUCI_PHOPY	75	47
OC[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCC1	ZINC000852319898	DF	On-Demand	Anodyne	LUCI_PHOPY	75	47
OC[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCC1	ZINC000852319899	DF	On-Demand	Anodyne	LUCI_PHOPY	75	47
N#CC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852319906	CE	On-Demand	Mild	CACNA1D	40	36
N#CC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852319908	CE	On-Demand	Mild	CACNA1D	40	36
N#CC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852319910	CE	On-Demand	Mild	CACNA1D	40	36
N#CC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852319911	CE	On-Demand	Mild	CACNA1D	40	36
N#CC[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852319952	CE	On-Demand	Mild	SLC6A3	18	40
N#CC[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852319952	CE	On-Demand	Mild	CCR3	44	34
N#CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852319954	CE	On-Demand	Mild	SLC6A3	18	40
N#CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852319954	CE	On-Demand	Mild	CCR3	44	34
N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852319956	CE	On-Demand	Mild	SLC6A3	18	40
N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852319956	CE	On-Demand	Mild	CCR3	44	34
N#CC[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852319958	CE	On-Demand	Mild	SLC6A3	18	40
N#CC[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852319958	CE	On-Demand	Mild	CCR3	44	34
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](CC#N)C2)c1	ZINC000852319963	DD	On-Demand	Reactive	KCNK3	52	37
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](CC#N)C2)c1	ZINC000852319963	DD	On-Demand	Reactive	KCNK9	42	37
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](CC#N)C2)c1	ZINC000852319964	DD	On-Demand	Reactive	KCNK3	52	37
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](CC#N)C2)c1	ZINC000852319964	DD	On-Demand	Reactive	KCNK9	42	37
N#CC[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000852320001	FF	On-Demand	Mild	VIPR1	25	41
N#CC[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000852320003	FF	On-Demand	Mild	VIPR1	25	41
N#CC[C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1	ZINC000852320057	EE	On-Demand	Mild	Q8MHZ5_SHEEP	45	32
N#CC[C@H]1CCCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1	ZINC000852320058	EE	On-Demand	Mild	Q8MHZ5_SHEEP	45	32
N#CC[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1	ZINC000852320059	EE	On-Demand	Mild	Q8MHZ5_SHEEP	45	32
N#CC[C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1	ZINC000852320060	EE	On-Demand	Mild	Q8MHZ5_SHEEP	45	32
N#CC[C@H]1CCCN(C[C@H](O)c2ccccc2Cl)C1	ZINC000852320061	CF	On-Demand	Mild	OPRL1	25	45
N#CC[C@@H]1CCCN(C[C@H](O)c2ccccc2Cl)C1	ZINC000852320062	CF	On-Demand	Mild	OPRL1	25	45
N#CC[C@@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852320102	DE	On-Demand	Mild	SLC6A1	56	34
N#CC[C@@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852320102	DE	On-Demand	Mild	SIGMAR1	18	40
N#CC[C@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852320103	DE	On-Demand	Mild	SLC6A1	56	34
N#CC[C@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852320103	DE	On-Demand	Mild	SIGMAR1	18	40
N#CC[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852320114	DG	On-Demand	Mild	PREP	15	43
N#CC[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852320114	DG	On-Demand	Mild	L3MBTL3	83	52
N#CC[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852320115	DG	On-Demand	Mild	PREP	15	43
N#CC[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852320115	DG	On-Demand	Mild	L3MBTL3	83	52
COc1ccc2c(CN3CCC[C@H](CC#N)C3)cc(=O)oc2c1	ZINC000852320118	DF	On-Demand	Mild	CYP11B1	17	42
COc1ccc2c(CN3CCC[C@H](CC#N)C3)cc(=O)oc2c1	ZINC000852320118	DF	On-Demand	Mild	MAOB	18	42
COc1ccc2c(CN3CCC[C@@H](CC#N)C3)cc(=O)oc2c1	ZINC000852320119	DF	On-Demand	Mild	CYP11B1	17	42
COc1ccc2c(CN3CCC[C@@H](CC#N)C3)cc(=O)oc2c1	ZINC000852320119	DF	On-Demand	Mild	MAOB	18	42
N#CC[C@@H]1CCCN(CC(=O)Nc2ccc3ccccc3c2)C1	ZINC000852320120	DG	On-Demand	Mild	DRD4	17	42
N#CC[C@@H]1CCCN(CC(=O)Nc2ccc3ccccc3c2)C1	ZINC000852320120	DG	On-Demand	Mild	CCR3	37	41
N#CC[C@H]1CCCN(CC(=O)Nc2ccc3ccccc3c2)C1	ZINC000852320121	DG	On-Demand	Mild	DRD4	17	42
N#CC[C@H]1CCCN(CC(=O)Nc2ccc3ccccc3c2)C1	ZINC000852320121	DG	On-Demand	Mild	CCR3	37	41
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCC[C@H](CC#N)C3)C2=O)c1	ZINC000852320122	GD	On-Demand	Mild	DRD4	40	31
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCC[C@H](CC#N)C3)C2=O)c1	ZINC000852320122	GD	On-Demand	Mild	CCR3	20	40
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCC[C@@H](CC#N)C3)C2=O)c1	ZINC000852320123	GD	On-Demand	Mild	DRD4	40	31
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCC[C@@H](CC#N)C3)C2=O)c1	ZINC000852320123	GD	On-Demand	Mild	CCR3	20	40
COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC[C@H](CC#N)C3)C2=O)c1	ZINC000852320124	GD	On-Demand	Mild	DRD4	40	31
COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC[C@H](CC#N)C3)C2=O)c1	ZINC000852320124	GD	On-Demand	Mild	CCR3	20	40
COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC[C@@H](CC#N)C3)C2=O)c1	ZINC000852320125	GD	On-Demand	Mild	DRD4	40	31
COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCC[C@@H](CC#N)C3)C2=O)c1	ZINC000852320125	GD	On-Demand	Mild	CCR3	20	40
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320146	EF	On-Demand	Mild	SLC6A1	51	32
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320146	EF	On-Demand	Mild	LTA4H	36	43
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320146	EF	On-Demand	Mild	HRH3	35	43
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320146	EF	On-Demand	Mild	PSMB1	40	34
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](CC#N)C2)cc1	ZINC000852320176	EF	On-Demand	Mild	SLC6A1	51	32
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](CC#N)C2)cc1	ZINC000852320176	EF	On-Demand	Mild	LTA4H	36	43
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](CC#N)C2)cc1	ZINC000852320176	EF	On-Demand	Mild	HRH3	35	43
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](CC#N)C2)cc1	ZINC000852320176	EF	On-Demand	Mild	PSMB1	40	34
CCOC(=O)C1=C(CN[C@H](CO)C2CCC2)NC(=O)N[C@H]1c1ccccc1	ZINC000852320194	FD	On-Demand	Anodyne	SLC27A4	78	35
CCOC(=O)C1=C(CN[C@@H](CO)C2CCC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852320196	FD	On-Demand	Anodyne	SLC27A4	78	35
CCOC(=O)C1=C(CN[C@H](CO)C2CCC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852320198	FD	On-Demand	Anodyne	SLC27A4	78	35
N#CC[C@@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000852320199	FH	On-Demand	Reactive	SLC6A1	63	33
CCOC(=O)C1=C(CN[C@@H](CO)C2CCC2)NC(=O)N[C@H]1c1ccccc1	ZINC000852320200	FD	On-Demand	Anodyne	SLC27A4	78	35
N#CC[C@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000852320201	FH	On-Demand	Reactive	SLC6A1	63	33
Cc1nn(C)c2nc(Cl)c(CN3CCC[C@H](CC#N)C3)cc12	ZINC000852320214	DG	On-Demand	Mild	Q8MHZ5_SHEEP	43	34
Cc1nn(C)c2nc(Cl)c(CN3CCC[C@@H](CC#N)C3)cc12	ZINC000852320215	DG	On-Demand	Mild	Q8MHZ5_SHEEP	43	34
Cc1cc(C(=O)CN2CCC[C@H](CC#N)C2)c(C)n1NC(=O)c1ccccc1	ZINC000852320230	GG	On-Demand	Mild	SLC6A1	50	32
Cc1cc(C(=O)CN2CCC[C@@H](CC#N)C2)c(C)n1NC(=O)c1ccccc1	ZINC000852320234	GG	On-Demand	Mild	SLC6A1	50	32
O=C(CN[C@H](CO)C1CCC1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852320265	FE	On-Demand	Anodyne	CNR2	24	42
O=C(CN[C@@H](CO)C1CCC1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852320267	FE	On-Demand	Anodyne	CNR2	24	42
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852320273	DG	On-Demand	Anodyne	HDAC6	15	42
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852320273	DG	On-Demand	Anodyne	SLC1A1	19	45
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852320273	DG	On-Demand	Anodyne	SLC1A2	34	45
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852320273	DG	On-Demand	Anodyne	DGAT1	18	40
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852320275	DG	On-Demand	Anodyne	HDAC6	15	42
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852320275	DG	On-Demand	Anodyne	SLC1A1	19	45
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852320275	DG	On-Demand	Anodyne	SLC1A2	34	45
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852320275	DG	On-Demand	Anodyne	DGAT1	18	40
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320288	DE	On-Demand	Mild	ACOX1	43	31
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320288	DE	On-Demand	Mild	ABCB1	51	44
CC(C)(C)OC(=O)N1CC[C@H](CCN[C@H](CO)C2CCC2)C1	ZINC000852320289	DE	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CC[C@@H](CCN[C@@H](CO)C2CCC2)C1	ZINC000852320290	DE	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CC[C@@H](CCN[C@H](CO)C2CCC2)C1	ZINC000852320291	DE	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CC[C@H](CCN[C@@H](CO)C2CCC2)C1	ZINC000852320292	DE	On-Demand	Anodyne	GPR119	25	40
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320293	DE	On-Demand	Mild	ACOX1	43	31
CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320293	DE	On-Demand	Mild	ABCB1	51	44
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320295	DE	On-Demand	Mild	ACOX1	43	31
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320295	DE	On-Demand	Mild	ABCB1	51	44
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320297	DE	On-Demand	Mild	ACOX1	43	31
CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320297	DE	On-Demand	Mild	ABCB1	51	44
N#CC[C@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320307	FH	On-Demand	Mild	CELA1	18	40
N#CC[C@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320307	FH	On-Demand	Mild	GRIN2B	47	49
N#CC[C@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320307	FH	On-Demand	Mild	PREP	38	44
N#CC[C@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320307	FH	On-Demand	Mild	LGMN	71	41
N#CC[C@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320307	FH	On-Demand	Mild	TGM2	30	42
N#CC[C@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320307	FH	On-Demand	Mild	F13A1	37	42
N#CC[C@@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320308	FH	On-Demand	Mild	CELA1	18	40
N#CC[C@@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320308	FH	On-Demand	Mild	GRIN2B	47	49
N#CC[C@@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320308	FH	On-Demand	Mild	PREP	38	44
N#CC[C@@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320308	FH	On-Demand	Mild	LGMN	71	41
N#CC[C@@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320308	FH	On-Demand	Mild	TGM2	30	42
N#CC[C@@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852320308	FH	On-Demand	Mild	F13A1	37	42
CC(=O)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320321	CF	On-Demand	Mild	HRH3	20	41
CC(=O)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320321	CF	On-Demand	Mild	SIGMAR1	20	41
CC(=O)Oc1ccc(CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320321	CF	On-Demand	Mild	MLNR	26	40
CC(=O)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320322	CF	On-Demand	Mild	HRH3	20	41
CC(=O)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320322	CF	On-Demand	Mild	SIGMAR1	20	41
CC(=O)Oc1ccc(CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320322	CF	On-Demand	Mild	MLNR	26	40
N#CC[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320323	EH	On-Demand	Mild	DHODH	16	43
N#CC[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320323	EH	On-Demand	Mild	LTA4H	16	41
N#CC[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320323	EH	On-Demand	Mild	CCR3	35	42
N#CC[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320323	EH	On-Demand	Mild	CHRNA7	18	49
N#CC[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320323	EH	On-Demand	Mild	SLC1A2	21	41
N#CC[C@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320324	EH	On-Demand	Mild	DHODH	16	43
N#CC[C@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320324	EH	On-Demand	Mild	LTA4H	16	41
N#CC[C@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320324	EH	On-Demand	Mild	CCR3	35	42
N#CC[C@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320324	EH	On-Demand	Mild	CHRNA7	18	49
N#CC[C@H]1CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852320324	EH	On-Demand	Mild	SLC1A2	21	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	CELA1	28	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	CTSD	78	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	PGC	77	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	CMA1	35	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	PAPA1_CARPA	55	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	CCKAR	20	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	CTSK	23	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	CTSL	28	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	PGA	33	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	REN	146	51
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	CTSS	26	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	CTSE	57	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	BACE1	44	39
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	FPR1	48	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1	ZINC000852320337	GG	On-Demand	Mild	PLM1_PLAFA	16	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	CELA1	28	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	CTSD	78	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	PGC	77	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	CMA1	35	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	PAPA1_CARPA	55	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	CCKAR	20	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	CTSK	23	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	CTSL	28	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	PGA	33	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	REN	146	51
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	CTSS	26	46
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	CTSE	57	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	BACE1	44	39
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	FPR1	48	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1	ZINC000852320338	GG	On-Demand	Mild	PLM1_PLAFA	16	44
N#CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000852320347	FF	On-Demand	Mild	SLC6A1	59	32
N#CC[C@H]1CCCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000852320348	FF	On-Demand	Mild	SLC6A1	59	32
COc1cccc(OC)c1OC[C@@H](O)CN[C@@H](CO)C1CCC1	ZINC000852320361	ED	On-Demand	Anodyne	ADRB2	35	45
COc1cccc(OC)c1OC[C@@H](O)CN[C@@H](CO)C1CCC1	ZINC000852320361	ED	On-Demand	Anodyne	ADRB1	36	45
COc1cccc(OC)c1OC[C@H](O)CN[C@@H](CO)C1CCC1	ZINC000852320362	ED	On-Demand	Anodyne	ADRB2	35	45
COc1cccc(OC)c1OC[C@H](O)CN[C@@H](CO)C1CCC1	ZINC000852320362	ED	On-Demand	Anodyne	ADRB1	36	45
COc1cccc(OC)c1OC[C@@H](O)CN[C@H](CO)C1CCC1	ZINC000852320363	ED	On-Demand	Anodyne	ADRB2	35	45
COc1cccc(OC)c1OC[C@@H](O)CN[C@H](CO)C1CCC1	ZINC000852320363	ED	On-Demand	Anodyne	ADRB1	36	45
COc1cccc(OC)c1OC[C@H](O)CN[C@H](CO)C1CCC1	ZINC000852320364	ED	On-Demand	Anodyne	ADRB2	35	45
COc1cccc(OC)c1OC[C@H](O)CN[C@H](CO)C1CCC1	ZINC000852320364	ED	On-Demand	Anodyne	ADRB1	36	45
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	F2	18	41
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	PRSS1	17	41
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	CELA1	19	40
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	GRIN2B	66	57
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	PREP	37	44
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	LGMN	57	39
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	TGM2	41	48
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	DPP7	23	41
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	F13A1	46	48
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	BIRC2	19	49
O=C(OCc1ccccc1)N1CCC(CN[C@@H](CO)C2CCC2)CC1	ZINC000852320370	EF	On-Demand	Anodyne	SLC12A5	49	36
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	F2	18	41
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	PRSS1	17	41
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	CELA1	19	40
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	GRIN2B	66	57
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	PREP	37	44
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	LGMN	57	39
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	TGM2	41	48
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	DPP7	23	41
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	F13A1	46	48
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	BIRC2	19	49
O=C(OCc1ccccc1)N1CCC(CN[C@H](CO)C2CCC2)CC1	ZINC000852320371	EF	On-Demand	Anodyne	SLC12A5	49	36
CCC(=O)CCN1CCC(c2ccco2)CC1	ZINC000852320463	BF	On-Demand	Anodyne	PRCP	22	41
CCC(=O)CCN1CCC(c2ccco2)CC1	ZINC000852320463	BF	On-Demand	Anodyne	CYP2J2	40	33
FCc1ccc(CN2CCC(c3ccco3)CC2)cc1	ZINC000852320472	CI	On-Demand	Anodyne	DRD4	21	43
FCc1ccc(CN2CCC(c3ccco3)CC2)cc1	ZINC000852320472	CI	On-Demand	Anodyne	SIGMAR1	48	39
COC[C@H](NC[C@H](O)COc1ccc(C(C)=O)cc1)C1CCOCC1	ZINC000852320481	FD	On-Demand	Anodyne	ADRB2	23	44
COC[C@H](NC[C@H](O)COc1ccc(C(C)=O)cc1)C1CCOCC1	ZINC000852320481	FD	On-Demand	Anodyne	ADRB1	40	42
COC[C@@H](NC[C@@H](O)COc1ccc(C(C)=O)cc1)C1CCOCC1	ZINC000852320482	FD	On-Demand	Anodyne	ADRB2	23	44
COC[C@@H](NC[C@@H](O)COc1ccc(C(C)=O)cc1)C1CCOCC1	ZINC000852320482	FD	On-Demand	Anodyne	ADRB1	40	42
COC[C@H](NC[C@@H](O)COc1ccc(C(C)=O)cc1)C1CCOCC1	ZINC000852320483	FD	On-Demand	Anodyne	ADRB2	23	44
COC[C@H](NC[C@@H](O)COc1ccc(C(C)=O)cc1)C1CCOCC1	ZINC000852320483	FD	On-Demand	Anodyne	ADRB1	40	42
COC[C@@H](NC[C@H](O)COc1ccc(C(C)=O)cc1)C1CCOCC1	ZINC000852320484	FD	On-Demand	Anodyne	ADRB2	23	44
COC[C@@H](NC[C@H](O)COc1ccc(C(C)=O)cc1)C1CCOCC1	ZINC000852320484	FD	On-Demand	Anodyne	ADRB1	40	42
COC[C@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852320498	GC	On-Demand	Reactive	CACNA1C	51	37
COC[C@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852320498	GC	On-Demand	Reactive	CACNA1D	83	36
COC[C@@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852320500	GC	On-Demand	Reactive	CACNA1C	51	37
COC[C@@H](NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852320500	GC	On-Demand	Reactive	CACNA1D	83	36
O=C(CN[C@@H](CO)C1CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852320508	FC	On-Demand	Bother	SSTR1	51	47
O=C(CN[C@H](CO)C1CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852320510	FC	On-Demand	Bother	SSTR1	51	47
COC[C@H](NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C1CCOCC1	ZINC000852320569	GC	On-Demand	Reactive	PDE4D	16	41
COC[C@@H](NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C1CCOCC1	ZINC000852320571	GC	On-Demand	Reactive	PDE4D	16	41
CCOC(=O)C1=C(CN[C@@H](CO)C2CCC2)NC(=O)N[C@H]1c1ccco1	ZINC000852320575	FD	On-Demand	Anodyne	SLC27A4	41	30
CCOC(=O)C1=C(CN[C@H](CO)C2CCC2)NC(=O)N[C@H]1c1ccco1	ZINC000852320576	FD	On-Demand	Anodyne	SLC27A4	41	30
CCOC(=O)C1=C(CN[C@H](CO)C2CCC2)NC(=O)N[C@@H]1c1ccco1	ZINC000852320578	FD	On-Demand	Anodyne	SLC27A4	41	30
CCOC(=O)C1=C(CN[C@@H](CO)C2CCC2)NC(=O)N[C@@H]1c1ccco1	ZINC000852320580	FD	On-Demand	Anodyne	SLC27A4	41	30
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852320593	EE	On-Demand	Anodyne	KCNQ2	32	44
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852320595	EE	On-Demand	Anodyne	KCNQ2	32	44
O=C(c1ccc(CN[C@@H](CO)C2CCC2)cc1)N1CCCC1	ZINC000852320623	DE	On-Demand	Anodyne	DPP7	40	37
O=C(c1ccc(CN[C@@H](CO)C2CCC2)cc1)N1CCCC1	ZINC000852320623	DE	On-Demand	Anodyne	L3MBTL3	94	43
O=C(c1ccc(CN[C@H](CO)C2CCC2)cc1)N1CCCC1	ZINC000852320624	DE	On-Demand	Anodyne	DPP7	40	37
O=C(c1ccc(CN[C@H](CO)C2CCC2)cc1)N1CCCC1	ZINC000852320624	DE	On-Demand	Anodyne	L3MBTL3	94	43
COC(=O)c1ccc(OC[C@H](O)CN[C@H](CO)C2CCC2)cc1	ZINC000852320631	DC	On-Demand	Anodyne	ADRB2	49	53
COC(=O)c1ccc(OC[C@H](O)CN[C@H](CO)C2CCC2)cc1	ZINC000852320631	DC	On-Demand	Anodyne	ADRB1	65	46
COC(=O)c1ccc(OC[C@H](O)CN[C@H](CO)C2CCC2)cc1	ZINC000852320631	DC	On-Demand	Anodyne	ADRB3	42	43
COC(=O)c1ccc(OC[C@@H](O)CN[C@H](CO)C2CCC2)cc1	ZINC000852320632	DC	On-Demand	Anodyne	ADRB2	49	53
COC(=O)c1ccc(OC[C@@H](O)CN[C@H](CO)C2CCC2)cc1	ZINC000852320632	DC	On-Demand	Anodyne	ADRB1	65	46
COC(=O)c1ccc(OC[C@@H](O)CN[C@H](CO)C2CCC2)cc1	ZINC000852320632	DC	On-Demand	Anodyne	ADRB3	42	43
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](CO)C2CCC2)cc1	ZINC000852320633	DC	On-Demand	Anodyne	ADRB2	49	53
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](CO)C2CCC2)cc1	ZINC000852320633	DC	On-Demand	Anodyne	ADRB1	65	46
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](CO)C2CCC2)cc1	ZINC000852320633	DC	On-Demand	Anodyne	ADRB3	42	43
COC(=O)c1ccc(OC[C@H](O)CN[C@@H](CO)C2CCC2)cc1	ZINC000852320635	DC	On-Demand	Anodyne	ADRB2	49	53
COC(=O)c1ccc(OC[C@H](O)CN[C@@H](CO)C2CCC2)cc1	ZINC000852320635	DC	On-Demand	Anodyne	ADRB1	65	46
COC(=O)c1ccc(OC[C@H](O)CN[C@@H](CO)C2CCC2)cc1	ZINC000852320635	DC	On-Demand	Anodyne	ADRB3	42	43
CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCC(c3ccco3)CC2)CC1	ZINC000852320642	GG	On-Demand	Anodyne	GPR119	44	42
CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCC(c3ccco3)CC2)CC1	ZINC000852320643	GG	On-Demand	Anodyne	GPR119	44	42
COC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCOCC1	ZINC000852320662	DC	On-Demand	Anodyne	AMY2	47	32
COC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)C1CCOCC1	ZINC000852320663	DC	On-Demand	Anodyne	AMY2	47	32
COC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCOCC1	ZINC000852320664	DC	On-Demand	Anodyne	AMY2	47	32
COC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)C1CCOCC1	ZINC000852320665	DC	On-Demand	Anodyne	AMY2	47	32
NC(=O)[C@@](O)(CN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852320671	DD	On-Demand	Anodyne	CYP2J2	50	35
NC(=O)[C@](O)(CN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852320672	DD	On-Demand	Anodyne	CYP2J2	50	35
COC[C@H](NCC(=O)Nc1ccc2nc(O)[nH]c2c1)C1CCOCC1	ZINC000852320764	ED	On-Demand	Anodyne	ENPP1	61	32
COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320765	GH	On-Demand	Mild	CTSK	16	41
COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320765	GH	On-Demand	Mild	CTSS	18	41
COC[C@@H](NCC(=O)Nc1ccc2nc(O)[nH]c2c1)C1CCOCC1	ZINC000852320766	ED	On-Demand	Anodyne	ENPP1	61	32
COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320767	GH	On-Demand	Mild	CTSK	16	41
COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320767	GH	On-Demand	Mild	CTSS	18	41
O[C@@H](CCN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852320768	CH	On-Demand	Anodyne	SLC6A3	20	52
O[C@@H](CCN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852320768	CH	On-Demand	Anodyne	CCR5	42	44
COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320769	GH	On-Demand	Mild	CTSK	16	41
COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CCC[C@H](CC#N)C2)cc1	ZINC000852320769	GH	On-Demand	Mild	CTSS	18	41
O[C@H](CCN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852320770	CH	On-Demand	Anodyne	SLC6A3	20	52
O[C@H](CCN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852320770	CH	On-Demand	Anodyne	CCR5	42	44
COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320771	GH	On-Demand	Mild	CTSK	16	41
COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CCC[C@@H](CC#N)C2)cc1	ZINC000852320771	GH	On-Demand	Mild	CTSS	18	41
COC[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCOCC1	ZINC000852320807	FF	On-Demand	Anodyne	LUCI_PHOPY	68	45
COC[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCOCC1	ZINC000852320810	FF	On-Demand	Anodyne	LUCI_PHOPY	68	45
COC[C@@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCOCC1	ZINC000852320812	FF	On-Demand	Anodyne	LUCI_PHOPY	68	45
COC[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CCOCC1	ZINC000852320814	FF	On-Demand	Anodyne	LUCI_PHOPY	68	45
O=C(CN[C@@H](CO)C1CCC1)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852320830	FF	On-Demand	Anodyne	KCNK3	44	34
O=C(CN[C@H](CO)C1CCC1)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852320831	FF	On-Demand	Anodyne	KCNK3	44	34
FC(F)OCCN1CCC(c2ccco2)CC1	ZINC000852320870	BF	On-Demand	Anodyne	SLC6A3	30	41
COC[C@@H](NCCOc1ccc2c(C)cc(=O)oc2c1)C1CCOCC1	ZINC000852320871	FF	On-Demand	Anodyne	MAOA	61	45
COC[C@@H](NCCOc1ccc2c(C)cc(=O)oc2c1)C1CCOCC1	ZINC000852320871	FF	On-Demand	Anodyne	MAOB	47	48
COC[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)C1CCOCC1	ZINC000852320872	FF	On-Demand	Anodyne	MAOA	61	45
COC[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)C1CCOCC1	ZINC000852320872	FF	On-Demand	Anodyne	MAOB	47	48
COC[C@H](NCc1cc(=O)oc2cc(O)ccc12)C1CCOCC1	ZINC000852320901	EE	On-Demand	Anodyne	HSD17B3	33	49
COC[C@@H](NCc1cc(=O)oc2cc(O)ccc12)C1CCOCC1	ZINC000852320902	EE	On-Demand	Anodyne	HSD17B3	33	49
Cc1cccc(NC(=O)[C@H](C)ON=CC(=O)Nc2ccccc2Cl)c1C	ZINC000852320904	FH	On-Demand	Mild	CXCL8	43	40
Cc1cccc(NC(=O)[C@@H](C)ON=CC(=O)Nc2ccccc2Cl)c1C	ZINC000852320905	FH	On-Demand	Mild	CXCL8	43	40
O=C(C=NOCc1ccc(-n2cccn2)cc1)Nc1ccccc1Cl	ZINC000852320939	FH	On-Demand	Mild	AMP1_PLAFQ	52	35
O=C(C=NOCc1ccc(-n2cccn2)cc1)Nc1ccccc1Cl	ZINC000852320939	FH	On-Demand	Mild	EPHB3	55	34
COC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000852320948	FE	On-Demand	Bother	TAAR1	17	41
COC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1	ZINC000852320949	FE	On-Demand	Bother	TAAR1	17	41
COC[C@H](NCCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852320964	DE	On-Demand	Anodyne	CTSK	16	40
COC[C@H](NCCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852320964	DE	On-Demand	Anodyne	NPR	52	33
COC[C@@H](NCCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852320965	DE	On-Demand	Anodyne	CTSK	16	40
COC[C@@H](NCCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852320965	DE	On-Demand	Anodyne	NPR	52	33
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852321048	EF	On-Demand	Anodyne	KCNQ2	32	44
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852321049	EF	On-Demand	Anodyne	KCNQ2	32	44
N#CC[C@H]1CCCN(Cc2cc3cc(Cl)ccc3nc2Cl)C1	ZINC000852321114	EJ	On-Demand	Mild	Q8MHZ5_SHEEP	43	35
N#CC[C@@H]1CCCN(Cc2cc3cc(Cl)ccc3nc2Cl)C1	ZINC000852321115	EJ	On-Demand	Mild	Q8MHZ5_SHEEP	43	35
O=C(CN[C@H](CO)C1CCC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852321116	DC	On-Demand	Anodyne	ENPP1	50	32
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852321117	DC	On-Demand	Anodyne	ENPP1	50	32
OC[C@H](NCCOc1cccc(F)c1)C1CCC1	ZINC000852321126	CD	On-Demand	Anodyne	CHRNA10	34	42
OC[C@@H](NCCOc1cccc(F)c1)C1CCC1	ZINC000852321129	CD	On-Demand	Anodyne	CHRNA10	34	42
COc1ccc2c(CN[C@@H](CO)C3CCC3)cc(=O)oc2c1	ZINC000852321135	DE	On-Demand	Anodyne	MAOA	40	37
COc1ccc2c(CN[C@@H](CO)C3CCC3)cc(=O)oc2c1	ZINC000852321135	DE	On-Demand	Anodyne	MAOB	30	43
COc1ccc2c(CN[C@H](CO)C3CCC3)cc(=O)oc2c1	ZINC000852321136	DE	On-Demand	Anodyne	MAOA	40	37
COc1ccc2c(CN[C@H](CO)C3CCC3)cc(=O)oc2c1	ZINC000852321136	DE	On-Demand	Anodyne	MAOB	30	43
CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCC(c3ccco3)CC2)CC1	ZINC000852321145	GF	On-Demand	Anodyne	GPR119	42	40
C#CCNC(=O)CCN1CCC(c2ccco2)CC1	ZINC000852321183	CD	On-Demand	Mild	PRCP	25	47
N#CC[C@H]1CCCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1	ZINC000852321232	DH	On-Demand	Mild	ACHE	20	44
N#CC[C@@H]1CCCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1	ZINC000852321233	DH	On-Demand	Mild	ACHE	20	44
O=C(CN[C@H](CO)C1CCC1)Nc1cccnc1Cl	ZINC000852321234	CD	On-Demand	Anodyne	G2YM83_BOTF4	70	37
O=C(CN[C@@H](CO)C1CCC1)Nc1cccnc1Cl	ZINC000852321235	CD	On-Demand	Anodyne	G2YM83_BOTF4	70	37
COc1ccc(N2CCN(C(=O)CN[C@H](CO)C3CCC3)CC2)cc1	ZINC000852321236	ED	On-Demand	Clean	NPBWR1	58	31
COc1ccc(N2CCN(C(=O)CN[C@@H](CO)C3CCC3)CC2)cc1	ZINC000852321237	ED	On-Demand	Clean	NPBWR1	58	31
c1ccc(Cn2cc(CN3CCC(c4ccco4)CC3)nn2)cc1	ZINC000852321296	DG	On-Demand	Anodyne	DRD4	26	42
c1ccc(Cn2cc(CN3CCC(c4ccco4)CC3)nn2)cc1	ZINC000852321296	DG	On-Demand	Anodyne	ACHE	25	41
c1ccc(Cn2cc(CN3CCC(c4ccco4)CC3)nn2)cc1	ZINC000852321296	DG	On-Demand	Anodyne	SIGMAR1	44	39
CC(C)(C)OC(=O)N1CC(CN2CCC(c3ccco3)CC2)C1	ZINC000852321297	DG	On-Demand	Anodyne	GPR119	40	37
O=c1cc(CN[C@@H](CO)C2CCC2)c2ccc(O)cc2o1	ZINC000852321304	CD	On-Demand	Anodyne	HSD17B3	36	51
O=c1cc(CN[C@H](CO)C2CCC2)c2ccc(O)cc2o1	ZINC000852321306	CD	On-Demand	Anodyne	HSD17B3	36	51
O=C(Cc1ccccc1)OCCN1CCC(c2ccco2)CC1	ZINC000852321328	DG	On-Demand	Anodyne	HRH1	25	40
O=C(Cc1ccccc1)OCCN1CCC(c2ccco2)CC1	ZINC000852321328	DG	On-Demand	Anodyne	LTA4H	28	44
O=C(Cc1ccccc1)OCCN1CCC(c2ccco2)CC1	ZINC000852321328	DG	On-Demand	Anodyne	SIGMAR1	38	43
O=C(Cc1ccccc1)OCCN1CCC(c2ccco2)CC1	ZINC000852321328	DG	On-Demand	Anodyne	CCR5	20	40
O=C(Cc1ccccc1)OCCN1CCC(c2ccco2)CC1	ZINC000852321328	DG	On-Demand	Anodyne	CYP2J2	43	30
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	HTR1A	24	43
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	DRD2	32	53
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	ADRA1D	43	42
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	ADRA1A	62	42
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	ADRA1B	40	42
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	DRD3	50	45
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	HTR4	44	37
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	MCHR1	17	42
CC(C)(C)OC(=O)NCCCN1CCC(c2ccco2)CC1	ZINC000852321359	DG	On-Demand	Anodyne	CYP2J2	46	34
NC(=O)[C@@](O)(CN[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852321413	CC	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@](O)(CN[C@H](CO)C1CCC1)c1ccccc1	ZINC000852321415	CC	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@@](O)(CN[C@H](CO)C1CCC1)c1ccccc1	ZINC000852321417	CC	On-Demand	Anodyne	AMY2	45	31
NC(=O)[C@](O)(CN[C@@H](CO)C1CCC1)c1ccccc1	ZINC000852321419	CC	On-Demand	Anodyne	AMY2	45	31
O[C@@H](CN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852321430	CG	On-Demand	Anodyne	SLC18A3	17	55
O[C@H](CN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852321431	CG	On-Demand	Anodyne	SLC18A3	17	55
COC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852321458	DD	On-Demand	Bother	CACNA1C	53	37
COC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852321458	DD	On-Demand	Bother	CACNA1D	80	37
COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852321459	DD	On-Demand	Bother	CACNA1C	53	37
COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852321459	DD	On-Demand	Bother	CACNA1D	80	37
COC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852321460	DD	On-Demand	Bother	CACNA1C	53	37
COC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852321460	DD	On-Demand	Bother	CACNA1D	80	37
COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852321461	DD	On-Demand	Bother	CACNA1C	53	37
COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1	ZINC000852321461	DD	On-Demand	Bother	CACNA1D	80	37
COC[C@@H](NCC(=O)Nc1cccnc1Cl)C1CCOCC1	ZINC000852321468	ED	On-Demand	Anodyne	G2YM83_BOTF4	67	34
COC[C@H](NCC(=O)Nc1cccnc1Cl)C1CCOCC1	ZINC000852321469	ED	On-Demand	Anodyne	G2YM83_BOTF4	67	34
CC(=O)Nc1cccc(NC(=O)[C@@H](C)ON=CC(=O)Nc2ccccc2Cl)c1	ZINC000852321479	HG	On-Demand	Mild	KCNK3	45	37
CC(=O)Nc1cccc(NC(=O)[C@H](C)ON=CC(=O)Nc2ccccc2Cl)c1	ZINC000852321480	HG	On-Demand	Mild	KCNK3	45	37
CC(C)(C)OC(=O)N1CCC(CCCN[C@@H](CO)C2CCC2)CC1	ZINC000852321524	EG	On-Demand	Anodyne	GPR119	33	47
CC(C)(C)OC(=O)N1CCC(CCCN[C@H](CO)C2CCC2)CC1	ZINC000852321525	EG	On-Demand	Anodyne	GPR119	33	47
O=C(CN[C@@H](CO)C1CCC1)OCc1ccccc1	ZINC000852321529	CD	On-Demand	Anodyne	SLC12A5	40	34
O=C(CN[C@H](CO)C1CCC1)OCc1ccccc1	ZINC000852321530	CD	On-Demand	Anodyne	SLC12A5	40	34
Fc1cc(CN2CCC(c3ccco3)CC2)cnc1Cl	ZINC000852321546	CH	On-Demand	Anodyne	DRD4	19	46
CC(C)(C)OC(=O)N1CCN(CCN2CCC(c3ccco3)CC2)CC1	ZINC000852321550	FG	On-Demand	Anodyne	GPR119	47	42
OC[C@H](NC[C@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321554	DE	On-Demand	Anodyne	ADRB2	45	64
OC[C@H](NC[C@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321554	DE	On-Demand	Anodyne	ADRB1	45	45
OC[C@H](NC[C@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321554	DE	On-Demand	Anodyne	ADRB3	28	41
OC[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321555	DE	On-Demand	Anodyne	ADRB2	45	64
OC[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321555	DE	On-Demand	Anodyne	ADRB1	45	45
OC[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321555	DE	On-Demand	Anodyne	ADRB3	28	41
OC[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321556	DE	On-Demand	Anodyne	ADRB2	45	64
OC[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321556	DE	On-Demand	Anodyne	ADRB1	45	45
OC[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321556	DE	On-Demand	Anodyne	ADRB3	28	41
OC[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321557	DE	On-Demand	Anodyne	ADRB2	45	64
OC[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321557	DE	On-Demand	Anodyne	ADRB1	45	45
OC[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)C1CCC1	ZINC000852321557	DE	On-Demand	Anodyne	ADRB3	28	41
CC(=O)c1ccc(N2CCN(C(=O)CN[C@H](CO)C3CCC3)CC2)c(F)c1	ZINC000852321558	GD	On-Demand	Anodyne	NPY2R	73	40
CC(=O)c1ccc(N2CCN(C(=O)CN[C@H](CO)C3CCC3)CC2)c(F)c1	ZINC000852321558	GD	On-Demand	Anodyne	SLC6A9	23	48
CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H](CO)C3CCC3)CC2)c(F)c1	ZINC000852321559	GD	On-Demand	Anodyne	NPY2R	73	40
CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H](CO)C3CCC3)CC2)c(F)c1	ZINC000852321559	GD	On-Demand	Anodyne	SLC6A9	23	48
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(N2CCCC2)cc1	ZINC000852321564	DD	On-Demand	Anodyne	KCNQ2	40	45
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(N2CCCC2)cc1	ZINC000852321565	DD	On-Demand	Anodyne	KCNQ2	40	45
Cc1cccc(C(=O)NNC(=O)CN[C@@H](CO)C2CCC2)c1	ZINC000852321574	DC	On-Demand	Reactive	KCNK3	59	41
Cc1cccc(C(=O)NNC(=O)CN[C@@H](CO)C2CCC2)c1	ZINC000852321574	DC	On-Demand	Reactive	KCNK9	46	41
Cc1cccc(C(=O)NNC(=O)CN[C@H](CO)C2CCC2)c1	ZINC000852321575	DC	On-Demand	Reactive	KCNK3	59	41
Cc1cccc(C(=O)NNC(=O)CN[C@H](CO)C2CCC2)c1	ZINC000852321575	DC	On-Demand	Reactive	KCNK9	46	41
N#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321594	CC	On-Demand	Mild	CHRM2	20	40
N#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321594	CC	On-Demand	Mild	CHRM1	17	40
N#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321594	CC	On-Demand	Mild	SLC6A1	48	32
N#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321594	CC	On-Demand	Mild	CHRM4	16	40
N#CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321594	CC	On-Demand	Mild	CHRM3	36	40
N#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321595	CC	On-Demand	Mild	CHRM2	20	40
N#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321595	CC	On-Demand	Mild	CHRM1	17	40
N#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321595	CC	On-Demand	Mild	SLC6A1	48	32
N#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321595	CC	On-Demand	Mild	CHRM4	16	40
N#CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321595	CC	On-Demand	Mild	CHRM3	36	40
N#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321596	CC	On-Demand	Mild	CHRM2	20	40
N#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321596	CC	On-Demand	Mild	CHRM1	17	40
N#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321596	CC	On-Demand	Mild	SLC6A1	48	32
N#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321596	CC	On-Demand	Mild	CHRM4	16	40
N#CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321596	CC	On-Demand	Mild	CHRM3	36	40
N#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321597	CC	On-Demand	Mild	CHRM2	20	40
N#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321597	CC	On-Demand	Mild	CHRM1	17	40
N#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321597	CC	On-Demand	Mild	SLC6A1	48	32
N#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321597	CC	On-Demand	Mild	CHRM4	16	40
N#CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852321597	CC	On-Demand	Mild	CHRM3	36	40
OC[C@H](NC[C@@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321628	DE	On-Demand	Anodyne	ADRB2	39	64
OC[C@H](NC[C@@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321628	DE	On-Demand	Anodyne	ADRB1	44	64
OC[C@H](NC[C@@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321628	DE	On-Demand	Anodyne	ADRB3	17	64
OC[C@H](NC[C@@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321628	DE	On-Demand	Anodyne	ABCB1	19	41
OC[C@@H](NC[C@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321629	DE	On-Demand	Anodyne	ADRB2	39	64
OC[C@@H](NC[C@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321629	DE	On-Demand	Anodyne	ADRB1	44	64
OC[C@@H](NC[C@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321629	DE	On-Demand	Anodyne	ADRB3	17	64
OC[C@@H](NC[C@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321629	DE	On-Demand	Anodyne	ABCB1	19	41
OC[C@@H](NC[C@@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321630	DE	On-Demand	Anodyne	ADRB2	39	64
OC[C@@H](NC[C@@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321630	DE	On-Demand	Anodyne	ADRB1	44	64
OC[C@@H](NC[C@@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321630	DE	On-Demand	Anodyne	ADRB3	17	64
OC[C@@H](NC[C@@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321630	DE	On-Demand	Anodyne	ABCB1	19	41
OC[C@H](NC[C@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321631	DE	On-Demand	Anodyne	ADRB2	39	64
OC[C@H](NC[C@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321631	DE	On-Demand	Anodyne	ADRB1	44	64
OC[C@H](NC[C@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321631	DE	On-Demand	Anodyne	ADRB3	17	64
OC[C@H](NC[C@H](O)COc1cccc2ccccc12)C1CCC1	ZINC000852321631	DE	On-Demand	Anodyne	ABCB1	19	41
O=C1[C@@H](N[C@H](CO)C2CCC2)CCCN1Cc1ccccc1	ZINC000852321632	DD	On-Demand	Anodyne	ACE	41	46
O=C1[C@@H](N[C@H](CO)C2CCC2)CCCN1Cc1ccccc1	ZINC000852321632	DD	On-Demand	Anodyne	MME	22	41
O=C1[C@H](N[C@H](CO)C2CCC2)CCCN1Cc1ccccc1	ZINC000852321633	DD	On-Demand	Anodyne	ACE	41	46
O=C1[C@H](N[C@H](CO)C2CCC2)CCCN1Cc1ccccc1	ZINC000852321633	DD	On-Demand	Anodyne	MME	22	41
O=C1[C@@H](N[C@@H](CO)C2CCC2)CCCN1Cc1ccccc1	ZINC000852321634	DD	On-Demand	Anodyne	ACE	41	46
O=C1[C@@H](N[C@@H](CO)C2CCC2)CCCN1Cc1ccccc1	ZINC000852321634	DD	On-Demand	Anodyne	MME	22	41
O=C1[C@H](N[C@@H](CO)C2CCC2)CCCN1Cc1ccccc1	ZINC000852321635	DD	On-Demand	Anodyne	ACE	41	46
O=C1[C@H](N[C@@H](CO)C2CCC2)CCCN1Cc1ccccc1	ZINC000852321635	DD	On-Demand	Anodyne	MME	22	41
O=C(CCN[C@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321652	ED	On-Demand	Anodyne	MTOR	61	35
O=C(CCN[C@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321652	ED	On-Demand	Anodyne	MERTK	24	41
O=C(CCN[C@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321652	ED	On-Demand	Anodyne	STAT6	51	32
O=C(CCN[C@@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321654	ED	On-Demand	Anodyne	MTOR	61	35
O=C(CCN[C@@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321654	ED	On-Demand	Anodyne	MERTK	24	41
O=C(CCN[C@@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321654	ED	On-Demand	Anodyne	STAT6	51	32
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321675	ED	On-Demand	Anodyne	MTOR	68	38
O=C(CN[C@@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321675	ED	On-Demand	Anodyne	STAT6	50	31
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321677	ED	On-Demand	Anodyne	MTOR	68	38
O=C(CN[C@H](CO)C1CCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852321677	ED	On-Demand	Anodyne	STAT6	50	31
COC[C@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1	ZINC000852321701	GG	On-Demand	Anodyne	GRIN2B	55	52
COC[C@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1	ZINC000852321701	GG	On-Demand	Anodyne	TGM2	30	44
COC[C@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1	ZINC000852321701	GG	On-Demand	Anodyne	F13A1	35	44
COC[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1	ZINC000852321703	GG	On-Demand	Anodyne	GRIN2B	55	52
COC[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1	ZINC000852321703	GG	On-Demand	Anodyne	TGM2	30	44
COC[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)C1CCOCC1	ZINC000852321703	GG	On-Demand	Anodyne	F13A1	35	44
C[C@@H](ON=CC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852321725	HJ	On-Demand	Mild	IMDH_CRYPV	45	38
COC[C@H](NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852321729	DD	On-Demand	Anodyne	CTSK	18	40
COC[C@H](NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852321729	DD	On-Demand	Anodyne	NPR	44	31
COC[C@@H](NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852321730	DD	On-Demand	Anodyne	CTSK	18	40
COC[C@@H](NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852321730	DD	On-Demand	Anodyne	NPR	44	31
COC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)C1CCOCC1	ZINC000852321765	EC	On-Demand	Reactive	KCNK3	54	37
COC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)C1CCOCC1	ZINC000852321765	EC	On-Demand	Reactive	KCNK9	43	37
COC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)C1CCOCC1	ZINC000852321766	EC	On-Demand	Reactive	KCNK3	54	37
COC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)C1CCOCC1	ZINC000852321766	EC	On-Demand	Reactive	KCNK9	43	37
COCCN(CCF)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C	ZINC000852321788	FD	On-Demand	Anodyne	ACKR3	63	33
Cc1c(NC(=O)[C@@H](C)ON=CC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-]	ZINC000852321791	HH	On-Demand	Mild	COLA	62	39
Cc1c(NC(=O)[C@H](C)ON=CC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-]	ZINC000852321792	HH	On-Demand	Mild	COLA	62	39
COC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852321841	GD	On-Demand	Anodyne	PIK3CA	33	40
COC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852321841	GD	On-Demand	Anodyne	MTOR	64	40
COC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852321841	GD	On-Demand	Anodyne	PIK3CG	31	40
COC[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852321842	GD	On-Demand	Anodyne	PIK3CA	33	40
COC[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852321842	GD	On-Demand	Anodyne	MTOR	64	40
COC[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852321842	GD	On-Demand	Anodyne	PIK3CG	31	40
COC[C@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852321886	GD	On-Demand	Clean	MMP13	16	40
COC[C@@H](NCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852321887	GD	On-Demand	Clean	MMP13	16	40
O=S(=O)(CCN1CCC(c2ccco2)CC1)Cc1ccccc1	ZINC000852321897	EG	On-Demand	Anodyne	SIGMAR1	22	40
O=S(=O)(CCN1CCC(c2ccco2)CC1)Cc1ccccc1	ZINC000852321897	EG	On-Demand	Anodyne	CCR5	15	40
CC(C)(C)OC(=O)N1C[C@@H](N2CCC(c3ccco3)CC2)[C@@H](O)c2ccccc21	ZINC000852321924	GI	On-Demand	Anodyne	SLC18A3	42	32
CC(C)(C)OC(=O)N1C[C@@H](N2CCC(c3ccco3)CC2)[C@H](O)c2ccccc21	ZINC000852321927	GI	On-Demand	Anodyne	SLC18A3	42	32
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC(c3ccco3)CC2)C1	ZINC000852321944	EH	On-Demand	Anodyne	GPR119	43	40
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC(c3ccco3)CC2)C1	ZINC000852321945	EH	On-Demand	Anodyne	GPR119	43	40
c1coc(C2CCN(Cc3cnc(C4OCCO4)s3)CC2)c1	ZINC000852321984	DG	On-Demand	Anodyne	MGEA5	33	40
CC(C)(C)C(=O)CCN1CCC(c2ccco2)CC1	ZINC000852321987	CG	On-Demand	Anodyne	PRCP	22	41
CC(C)(C)C(=O)CCN1CCC(c2ccco2)CC1	ZINC000852321987	CG	On-Demand	Anodyne	CYP2J2	49	37
COC[C@H](NCCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852322016	GD	On-Demand	Anodyne	MTOR	51	37
COC[C@H](NCCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852322016	GD	On-Demand	Anodyne	STAT6	46	33
COC[C@@H](NCCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852322017	GD	On-Demand	Anodyne	MTOR	51	37
COC[C@@H](NCCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCOCC1	ZINC000852322017	GD	On-Demand	Anodyne	STAT6	46	33
Cc1ccccc1CNC(=O)[C@H](C)ON=CC(=O)Nc1ccccc1Cl	ZINC000852322020	FG	On-Demand	Mild	CXCL8	43	37
Cc1ccccc1CNC(=O)[C@@H](C)ON=CC(=O)Nc1ccccc1Cl	ZINC000852322021	FG	On-Demand	Mild	CXCL8	43	37
CC(C)(C)OC(=O)NCCN1CCC(c2ccco2)CC1	ZINC000852322022	CF	On-Demand	Anodyne	DRD4	41	31
CC(C)(C)OC(=O)NCCN1CCC(c2ccco2)CC1	ZINC000852322022	CF	On-Demand	Anodyne	DRD3	15	40
O=C(c1cccc(CN2CCC(c3ccco3)CC2)c1)C(F)(F)F	ZINC000852322027	EI	On-Demand	Anodyne	ACHE	26	45
O=C(c1cccc(CN2CCC(c3ccco3)CC2)c1)C(F)(F)F	ZINC000852322027	EI	On-Demand	Anodyne	HRH2	15	51
COC[C@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)C1CCOCC1	ZINC000852322032	GF	On-Demand	Anodyne	KCNQ2	16	46
COC[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)C1CCOCC1	ZINC000852322033	GF	On-Demand	Anodyne	KCNQ2	16	46
COC[C@@H](N[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)C1CCOCC1	ZINC000852322034	GF	On-Demand	Anodyne	KCNQ2	16	46
COC[C@H](N[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)C1CCOCC1	ZINC000852322035	GF	On-Demand	Anodyne	KCNQ2	16	46
CN(C)c1ccc(NC(=O)CCN2CCC(c3ccco3)CC2)cc1	ZINC000852322036	EH	On-Demand	Anodyne	PRCP	23	41
O=C(CCN1CCC(c2ccco2)CC1)N1CCCC1	ZINC000852322037	CE	On-Demand	Anodyne	ETHR	48	33
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)ON=CC(=O)Nc1ccccc1Cl	ZINC000852322048	GH	On-Demand	Mild	CXCL8	36	40
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)ON=CC(=O)Nc1ccccc1Cl	ZINC000852322049	GH	On-Demand	Mild	CXCL8	36	40
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)ON=CC(=O)Nc1ccccc1Cl	ZINC000852322050	GH	On-Demand	Mild	CXCL8	36	40
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)ON=CC(=O)Nc1ccccc1Cl	ZINC000852322051	GH	On-Demand	Mild	CXCL8	36	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(C)C2	ZINC000852322058	DH	On-Demand	Mild	MME	56	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(C)C2	ZINC000852322059	DH	On-Demand	Mild	MME	56	36
C[C@H](C(=O)Nc1cccnc1Cl)N1CCO[C@@](C)(C2CC2)C1	ZINC000852322195	DF	On-Demand	Anodyne	G2YM83_BOTF4	71	36
C[C@H](C(=O)Nc1cccnc1Cl)N1CCO[C@](C)(C2CC2)C1	ZINC000852322196	DF	On-Demand	Anodyne	G2YM83_BOTF4	71	36
C#CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852322236	CG	On-Demand	Mild	MME	45	35
C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852322237	CG	On-Demand	Mild	MME	45	35
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852322250	FG	On-Demand	Mild	CCR3	33	41
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852322251	FG	On-Demand	Mild	CCR3	33	41
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852322252	FG	On-Demand	Mild	CCR3	33	41
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852322253	FG	On-Demand	Mild	CCR3	33	41
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1F	ZINC000852322280	GH	On-Demand	Mild	MC4R	22	49
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1F	ZINC000852322280	GH	On-Demand	Mild	P2RX7	25	42
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1F	ZINC000852322280	GH	On-Demand	Mild	SCN2A	20	49
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1F	ZINC000852322280	GH	On-Demand	Mild	SCN10A	35	49
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1F	ZINC000852322281	GH	On-Demand	Mild	MC4R	22	49
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1F	ZINC000852322281	GH	On-Demand	Mild	P2RX7	25	42
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1F	ZINC000852322281	GH	On-Demand	Mild	SCN2A	20	49
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1F	ZINC000852322281	GH	On-Demand	Mild	SCN10A	35	49
C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@@]23CCCC[C@]2(COC3)C1	ZINC000852322286	FG	On-Demand	Mild	TACR2	53	33
C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852322287	FG	On-Demand	Mild	TACR2	53	33
C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@]23CCCC[C@@]2(COC3)C1	ZINC000852322288	FG	On-Demand	Mild	TACR2	53	33
C#CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@]23CCCC[C@]2(COC3)C1	ZINC000852322289	FG	On-Demand	Mild	TACR2	53	33
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852322566	EH	On-Demand	Mild	PAPA1_CARPA	40	37
C#CC[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)CC(F)(F)F	ZINC000852322567	EH	On-Demand	Mild	PAPA1_CARPA	40	37
COc1ccc2c(CN3CCO[C@](C)(C4CC4)C3)cc(=O)oc2c1	ZINC000852322576	EF	On-Demand	Anodyne	CYP11B1	17	41
COc1ccc2c(CN3CCO[C@@](C)(C4CC4)C3)cc(=O)oc2c1	ZINC000852322577	EF	On-Demand	Anodyne	CYP11B1	17	41
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852322617	FG	On-Demand	Mild	MME	54	39
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852322617	FG	On-Demand	Mild	ANPEP	41	33
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852322618	FG	On-Demand	Mild	MME	54	39
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852322618	FG	On-Demand	Mild	ANPEP	41	33
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852322619	FG	On-Demand	Mild	MME	54	39
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852322619	FG	On-Demand	Mild	ANPEP	41	33
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852322620	FG	On-Demand	Mild	MME	54	39
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852322620	FG	On-Demand	Mild	ANPEP	41	33
C#C[C@H](NC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1F	ZINC000852322663	FE	On-Demand	Mild	MAPK1	49	35
C#C[C@@H](NC(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1F	ZINC000852322664	FE	On-Demand	Mild	MAPK1	49	35
C#C[C@@H](NC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc(Cl)cc1F	ZINC000852322665	FE	On-Demand	Mild	MAPK1	49	35
C#C[C@H](NC(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc(Cl)cc1F	ZINC000852322666	FE	On-Demand	Mild	MAPK1	49	35
C#C[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1F	ZINC000852322684	DG	On-Demand	Mild	CACNA1H	43	32
C#C[C@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1F	ZINC000852322685	DG	On-Demand	Mild	CACNA1H	43	32
C#C[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1F	ZINC000852322686	DG	On-Demand	Mild	CACNA1H	43	32
C#C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1F	ZINC000852322687	DG	On-Demand	Mild	CACNA1H	43	32
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852322709	DD	On-Demand	Mild	PAPA1_CARPA	52	37
C#CC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852322710	DD	On-Demand	Mild	PAPA1_CARPA	52	37
O=C(CN1CCC(c2ccco2)CC1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852322766	GH	On-Demand	Anodyne	DRD4	27	44
O=C(CN1CCC(c2ccco2)CC1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852322766	GH	On-Demand	Anodyne	CNR2	21	42
N#CCn1c(CN2CCC(c3ccco3)CC2)nc2ccccc2c1=O	ZINC000852322774	EF	On-Demand	Mild	HIF1A	18	41
c1coc(C2CCN(Cc3nc4ccccc4[nH]3)CC2)c1	ZINC000852322775	CH	On-Demand	Anodyne	DRD4	17	64
CC(=O)c1ccc(OC[C@H](O)CN2CCC(c3ccco3)CC2)cc1	ZINC000852322776	EG	On-Demand	Anodyne	ADRB1	16	40
CC(=O)c1ccc(OC[C@H](O)CN2CCC(c3ccco3)CC2)cc1	ZINC000852322776	EG	On-Demand	Anodyne	ACOX1	74	35
CC(=O)c1ccc(OC[C@H](O)CN2CCC(c3ccco3)CC2)cc1	ZINC000852322776	EG	On-Demand	Anodyne	ABCB1	70	45
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(c3ccco3)CC2)cc1	ZINC000852322777	EG	On-Demand	Anodyne	ADRB1	16	40
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(c3ccco3)CC2)cc1	ZINC000852322777	EG	On-Demand	Anodyne	ACOX1	74	35
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(c3ccco3)CC2)cc1	ZINC000852322777	EG	On-Demand	Anodyne	ABCB1	70	45
O=C(CN1CCC(c2ccco2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852322782	FF	On-Demand	Anodyne	DRD4	28	42
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(c2ccco2)CC1	ZINC000852322792	EH	On-Demand	Anodyne	G2YM83_BOTF4	68	34
NC(=O)NC(=O)OCCCN1CCC(c2ccco2)CC1	ZINC000852322794	CD	On-Demand	Anodyne	CYP2J2	44	31
O=C(CN1CCC(c2ccco2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852322804	FF	On-Demand	Anodyne	PIK3CA	45	37
O=C(CN1CCC(c2ccco2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852322804	FF	On-Demand	Anodyne	MTOR	84	37
O=C(CN1CCC(c2ccco2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852322804	FF	On-Demand	Anodyne	EPHX2	15	42
O=C(CN1CCC(c2ccco2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852322804	FF	On-Demand	Anodyne	STAT6	51	32
O[C@@H](CN1CCC(c2ccco2)CC1)c1ccccc1Br	ZINC000852322845	FH	On-Demand	Anodyne	SLC18A3	17	48
O[C@H](CN1CCC(c2ccco2)CC1)c1ccccc1Br	ZINC000852322847	FH	On-Demand	Anodyne	SLC18A3	17	48
COc1ccc2c(CN3CCC(c4ccco4)CC3)cc(=O)oc2c1	ZINC000852322900	EH	On-Demand	Anodyne	CYP19A1	15	50
COc1ccc2c(CN3CCC(c4ccco4)CC3)cc(=O)oc2c1	ZINC000852322900	EH	On-Demand	Anodyne	CYP11B1	17	44
COc1ccc2c(CN3CCC(c4ccco4)CC3)cc(=O)oc2c1	ZINC000852322900	EH	On-Demand	Anodyne	MAOB	27	41
O=C(CCN1CCC(c2ccco2)CC1)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000852322903	GE	On-Demand	Anodyne	PRCP	26	41
Cc1cccc(C(=O)NNC(=O)CN2CCO[C@@](C)(C3CC3)C2)c1	ZINC000852322914	ED	On-Demand	Reactive	KCNK3	42	34
Cc1cccc(C(=O)NNC(=O)CN2CCO[C@](C)(C3CC3)C2)c1	ZINC000852322915	ED	On-Demand	Reactive	KCNK3	42	34
O=C(CN1CCC(c2ccco2)CC1)NNC(=O)c1ccccc1	ZINC000852322964	ED	On-Demand	Reactive	DRD4	22	42
C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852323022	CG	On-Demand	Mild	ACE	15	42
C#CC[C@@H](Cc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852323022	CG	On-Demand	Mild	MME	47	42
C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852323024	CG	On-Demand	Mild	ACE	15	42
C#CC[C@H](Cc1ccccc1)NC(=O)NC1CC(C)(C)C1	ZINC000852323024	CG	On-Demand	Mild	MME	47	42
O=C(CN1CCC(c2ccco2)CC1)NNC(=O)c1ccccc1Cl	ZINC000852323035	FF	On-Demand	Reactive	DRD4	24	42
N#CCOc1ccc(CN2CCC(c3ccco3)CC2)cc1	ZINC000852323043	CH	On-Demand	Mild	SIGMAR1	26	44
COc1ccc(N2CC[C@H](NC(=O)NCCCc3cccc(C)n3)C2)cc1	ZINC000852323071	FF	On-Demand	Clean	MTNR1A	28	46
COc1ccc(N2CC[C@H](NC(=O)NCCCc3cccc(C)n3)C2)cc1	ZINC000852323071	FF	On-Demand	Clean	MTNR1B	26	46
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852323082	FE	On-Demand	Mild	CALCRL	36	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852323084	FE	On-Demand	Mild	CALCRL	36	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1	ZINC000852323173	EE	On-Demand	Mild	MME	48	34
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1	ZINC000852323173	EE	On-Demand	Mild	PAPA1_CARPA	49	37
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1	ZINC000852323173	EE	On-Demand	Mild	CAPNS1	42	30
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1	ZINC000852323174	EE	On-Demand	Mild	MME	48	34
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1	ZINC000852323174	EE	On-Demand	Mild	PAPA1_CARPA	49	37
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)C1	ZINC000852323174	EE	On-Demand	Mild	CAPNS1	42	30
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(Cl)cc1F	ZINC000852323201	GH	On-Demand	Mild	CACNA1I	78	39
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(Cl)cc1F	ZINC000852323202	GH	On-Demand	Mild	CACNA1I	78	39
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323208	FG	On-Demand	Mild	HRH1	15	40
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323208	FG	On-Demand	Mild	TACR2	29	40
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323208	FG	On-Demand	Mild	SIGMAR1	31	42
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323208	FG	On-Demand	Mild	CCR3	37	40
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323208	FG	On-Demand	Mild	CACNA1I	49	34
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323209	FG	On-Demand	Mild	HRH1	15	40
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323209	FG	On-Demand	Mild	TACR2	29	40
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323209	FG	On-Demand	Mild	SIGMAR1	31	42
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323209	FG	On-Demand	Mild	CCR3	37	40
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852323209	FG	On-Demand	Mild	CACNA1I	49	34
COC(=O)N(C)CCNC(=O)NCc1c(F)cccc1N1CCCC1	ZINC000852323325	FD	On-Demand	Anodyne	KCNQ2	58	35
CCOC(=O)C1=C(CN2CCC(c3ccco3)CC2)NC(=O)N[C@H]1c1ccco1	ZINC000852323331	GF	On-Demand	Anodyne	SLC27A4	41	31
CCOC(=O)C1=C(CN2CCC(c3ccco3)CC2)NC(=O)N[C@@H]1c1ccco1	ZINC000852323333	GF	On-Demand	Anodyne	SLC27A4	41	31
CC(=O)Nc1ccc2c(CN3CCC(c4ccco4)CC3)cc(=O)oc2c1	ZINC000852323345	FH	On-Demand	Anodyne	MCHR1	35	42
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(c3ccco3)CC2)c1	ZINC000852323408	FD	On-Demand	Reactive	DRD4	15	49
CC(=O)CCN1CCC(c2ccco2)CC1	ZINC000852323409	BE	On-Demand	Anodyne	PRCP	25	43
CC(=O)CCN1CCC(c2ccco2)CC1	ZINC000852323409	BE	On-Demand	Anodyne	CYP2J2	47	34
O=C(CN1CCC(c2ccco2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852323422	FF	On-Demand	Reactive	DRD4	23	42
O=C(CN1CCC(c2ccco2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852323422	FF	On-Demand	Reactive	CACNA1I	55	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323527	FF	On-Demand	Mild	ACE	50	43
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323527	FF	On-Demand	Mild	SSTR2	40	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323527	FF	On-Demand	Mild	OPRM1	26	45
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323527	FF	On-Demand	Mild	MME	48	43
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323527	FF	On-Demand	Mild	REN	40	37
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323527	FF	On-Demand	Mild	DPP7	43	39
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323527	FF	On-Demand	Mild	Q9N6S8_PLAFA	15	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323527	FF	On-Demand	Mild	BRCA1	60	33
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323529	FF	On-Demand	Mild	ACE	50	43
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323529	FF	On-Demand	Mild	SSTR2	40	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323529	FF	On-Demand	Mild	OPRM1	26	45
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323529	FF	On-Demand	Mild	MME	48	43
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323529	FF	On-Demand	Mild	REN	40	37
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323529	FF	On-Demand	Mild	DPP7	43	39
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323529	FF	On-Demand	Mild	Q9N6S8_PLAFA	15	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323529	FF	On-Demand	Mild	BRCA1	60	33
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323531	FF	On-Demand	Mild	ACE	50	43
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323531	FF	On-Demand	Mild	SSTR2	40	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323531	FF	On-Demand	Mild	OPRM1	26	45
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323531	FF	On-Demand	Mild	MME	48	43
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323531	FF	On-Demand	Mild	REN	40	37
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323531	FF	On-Demand	Mild	DPP7	43	39
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323531	FF	On-Demand	Mild	Q9N6S8_PLAFA	15	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1	ZINC000852323531	FF	On-Demand	Mild	BRCA1	60	33
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323533	FF	On-Demand	Mild	ACE	50	43
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323533	FF	On-Demand	Mild	SSTR2	40	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323533	FF	On-Demand	Mild	OPRM1	26	45
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323533	FF	On-Demand	Mild	MME	48	43
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323533	FF	On-Demand	Mild	REN	40	37
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323533	FF	On-Demand	Mild	DPP7	43	39
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323533	FF	On-Demand	Mild	Q9N6S8_PLAFA	15	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000852323533	FF	On-Demand	Mild	BRCA1	60	33
C#C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1F	ZINC000852323584	GH	On-Demand	Mild	CCR3	42	36
C#C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1F	ZINC000852323584	GH	On-Demand	Mild	CACNA1I	55	32
C#C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1F	ZINC000852323585	GH	On-Demand	Mild	CCR3	42	36
C#C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1F	ZINC000852323585	GH	On-Demand	Mild	CACNA1I	55	32
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1F	ZINC000852323586	GH	On-Demand	Mild	CCR3	42	36
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1F	ZINC000852323586	GH	On-Demand	Mild	CACNA1I	55	32
C#C[C@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1F	ZINC000852323587	GH	On-Demand	Mild	CCR3	42	36
C#C[C@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(Cl)cc1F	ZINC000852323587	GH	On-Demand	Mild	CACNA1I	55	32
O=C(CN1CCC(c2ccco2)CC1)Nc1cccnc1Cl	ZINC000852323652	DG	On-Demand	Anodyne	G2YM83_BOTF4	67	33
C#CC[C@@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852323655	GI	On-Demand	Mild	KCNH2	41	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852323655	GI	On-Demand	Mild	TIMP3	56	31
C#CC[C@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852323657	GI	On-Demand	Mild	KCNH2	41	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852323657	GI	On-Demand	Mild	TIMP3	56	31
O=C(NCCC1SCCS1)NCc1c(F)cccc1N1CCCC1	ZINC000852323672	FG	On-Demand	Anodyne	KCNQ2	41	34
O=C(NCc1ccncc1OCc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852323691	GE	On-Demand	Anodyne	NPSR1	25	40
O=C(NCc1ccncc1OCc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852323694	GE	On-Demand	Anodyne	NPSR1	25	40
O=C(CN1CCC(c2ccco2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852323731	EE	On-Demand	Reactive	DRD4	20	42
O=C(CN1CCC(c2ccco2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852323731	EE	On-Demand	Reactive	WNT3A	46	39
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852323815	DG	On-Demand	Mild	PREP	27	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852323816	DG	On-Demand	Mild	PREP	27	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852323817	DG	On-Demand	Mild	PREP	27	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852323818	DG	On-Demand	Mild	PREP	27	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC)COCC1CC1	ZINC000852323831	EG	On-Demand	Mild	TIMP3	43	31
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC)COCC1CC1	ZINC000852323831	EG	On-Demand	Mild	CTSC	29	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC)COCC1CC1	ZINC000852323832	EG	On-Demand	Mild	TIMP3	43	31
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC)COCC1CC1	ZINC000852323832	EG	On-Demand	Mild	CTSC	29	40
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)COCC1CC1	ZINC000852323833	EG	On-Demand	Mild	TIMP3	43	31
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)COCC1CC1	ZINC000852323833	EG	On-Demand	Mild	CTSC	29	40
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)COCC1CC1	ZINC000852323834	EG	On-Demand	Mild	TIMP3	43	31
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)COCC1CC1	ZINC000852323834	EG	On-Demand	Mild	CTSC	29	40
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852323850	DF	On-Demand	Mild	MME	40	36
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CC1(F)F	ZINC000852323851	DF	On-Demand	Mild	MME	40	36
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852323852	DF	On-Demand	Mild	MME	40	36
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@]1(C)CC1(F)F	ZINC000852323853	DF	On-Demand	Mild	MME	40	36
COCCCOc1ccc(CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852323915	FF	On-Demand	Reactive	KLKB1	17	40
COCCCOc1ccc(CNC(=O)NNc2ccc(Cl)cn2)cc1	ZINC000852323915	FF	On-Demand	Reactive	F10	46	30
CCCCC[C@@H](C)NC(=O)CN1CCO[C@](C)(C2CC2)C1	ZINC000852323917	CF	On-Demand	Anodyne	NOD1	45	31
CCCCC[C@@H](C)NC(=O)CN1CCO[C@@](C)(C2CC2)C1	ZINC000852323918	CF	On-Demand	Anodyne	NOD1	45	31
COCCN(CCF)C(=O)NCc1c(F)cccc1N1CCCC1	ZINC000852323942	EF	On-Demand	Anodyne	DRD3	46	37
COCCN(CCF)C(=O)NCc1c(F)cccc1N1CCCC1	ZINC000852323942	EF	On-Demand	Anodyne	KCNQ2	62	35
O=C(CCN1CCC(c2ccco2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852323981	GG	On-Demand	Anodyne	MTOR	65	36
O=C(CCN1CCC(c2ccco2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852323981	GG	On-Demand	Anodyne	EPHX2	21	41
O=C(CCN1CCC(c2ccco2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852323981	GG	On-Demand	Anodyne	STAT6	53	32
NS(=O)(=O)c1ccc(CCN2CCC(c3ccco3)CC2)cc1	ZINC000852323982	EE	On-Demand	Anodyne	CA2	41	42
NS(=O)(=O)c1ccc(CCN2CCC(c3ccco3)CC2)cc1	ZINC000852323982	EE	On-Demand	Anodyne	CA1	41	42
NS(=O)(=O)c1ccc(CCN2CCC(c3ccco3)CC2)cc1	ZINC000852323982	EE	On-Demand	Anodyne	CA7	25	41
NS(=O)(=O)c1ccc(CCN2CCC(c3ccco3)CC2)cc1	ZINC000852323982	EE	On-Demand	Anodyne	CA12	29	42
NS(=O)(=O)c1ccc(CCN2CCC(c3ccco3)CC2)cc1	ZINC000852323982	EE	On-Demand	Anodyne	CA9	37	42
COCCCOc1ccc(CNC(=O)NCc2ncccn2)cc1	ZINC000852324000	ED	On-Demand	Anodyne	PLA2G4B	42	32
C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852324025	FG	On-Demand	Mild	SCN2A	17	42
C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852324025	FG	On-Demand	Mild	SCN10A	31	42
C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852324026	FG	On-Demand	Mild	SCN2A	17	42
C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852324026	FG	On-Demand	Mild	SCN10A	31	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CSC[C@@H]2C)O1	ZINC000852324050	GD	On-Demand	Reactive	DRD4	16	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CSC[C@H]2C)O1	ZINC000852324051	GD	On-Demand	Reactive	DRD4	16	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CSC[C@@H]2C)O1	ZINC000852324052	GD	On-Demand	Reactive	DRD4	16	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CSC[C@H]2C)O1	ZINC000852324053	GD	On-Demand	Reactive	DRD4	16	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852324121	ED	On-Demand	Mild	TACR2	40	37
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CCOC2)CC1	ZINC000852324122	ED	On-Demand	Mild	TACR2	40	37
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852324123	ED	On-Demand	Mild	TACR2	40	37
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CCOC2)CC1	ZINC000852324124	ED	On-Demand	Mild	TACR2	40	37
CCCN(C)[C@@H](CNC(=O)NCc1ncccn1)c1ccc(Cl)cc1	ZINC000852324139	FG	On-Demand	Anodyne	UTS2	41	32
CCCN(C)[C@H](CNC(=O)NCc1ncccn1)c1ccc(Cl)cc1	ZINC000852324140	FG	On-Demand	Anodyne	UTS2	41	32
O[C@@H](CN1CCC(c2ccco2)CC1)c1ccc(Br)cc1	ZINC000852324154	FH	On-Demand	Anodyne	SLC18A3	17	65
O[C@H](CN1CCC(c2ccco2)CC1)c1ccc(Br)cc1	ZINC000852324155	FH	On-Demand	Anodyne	SLC18A3	17	65
C#C[C@@H](NC(=O)NCc1c(F)cccc1N1CCCC1)C1CCOCC1	ZINC000852324156	FF	On-Demand	Mild	KCNQ2	44	35
C#C[C@H](NC(=O)NCc1c(F)cccc1N1CCCC1)C1CCOCC1	ZINC000852324157	FF	On-Demand	Mild	KCNQ2	44	35
O=C(c1ccc(CN2CCC(c3ccco3)CC2)cc1)N1CCCC1	ZINC000852324158	EH	On-Demand	Anodyne	HRH3	28	48
O=C(c1ccc(CN2CCC(c3ccco3)CC2)cc1)N1CCCC1	ZINC000852324158	EH	On-Demand	Anodyne	SIGMAR1	29	41
O=C(c1ccc(CN2CCC(c3ccco3)CC2)cc1)N1CCCC1	ZINC000852324158	EH	On-Demand	Anodyne	L3MBTL3	85	58
O=C(CCN1CCC(c2ccco2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852324175	GG	On-Demand	Anodyne	DRD4	20	41
O=C(CCN1CCC(c2ccco2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852324175	GG	On-Demand	Anodyne	HTR4	15	41
CCOC(=O)N1CCC(NC(=O)CN2CCC(c3ccco3)CC2)CC1	ZINC000852324198	FE	On-Demand	Anodyne	DRD4	16	42
CCOC(=O)N1CCC(NC(=O)CN2CCC(c3ccco3)CC2)CC1	ZINC000852324198	FE	On-Demand	Anodyne	CCR8	28	42
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(c3ccco3)CC2)CC1	ZINC000852324253	FE	On-Demand	Anodyne	P2RY12	50	37
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(c3ccco3)CC2)CC1	ZINC000852324255	FE	On-Demand	Anodyne	P2RY12	50	37
c1coc(C2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)c1	ZINC000852324257	DG	On-Demand	Anodyne	CYP11B1	16	41
C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1c(OC)cccc1OC	ZINC000852324263	FG	On-Demand	Mild	ANPEP	25	40
C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1c(OC)cccc1OC	ZINC000852324263	FG	On-Demand	Mild	PAPA1_CARPA	47	37
C#CC[C@H](Cc1ccccc1)NC(=O)NCc1c(OC)cccc1OC	ZINC000852324265	FG	On-Demand	Mild	ANPEP	25	40
C#CC[C@H](Cc1ccccc1)NC(=O)NCc1c(OC)cccc1OC	ZINC000852324265	FG	On-Demand	Mild	PAPA1_CARPA	47	37
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852324284	CG	On-Demand	Mild	MME	49	36
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852324284	CG	On-Demand	Mild	PAPA1_CARPA	41	38
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852324284	CG	On-Demand	Mild	CTSF	48	35
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852324286	CG	On-Demand	Mild	MME	49	36
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852324286	CG	On-Demand	Mild	PAPA1_CARPA	41	38
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC(C)(C)F	ZINC000852324286	CG	On-Demand	Mild	CTSF	48	35
CC(=O)c1ccc(OC[C@@H](O)CN2CCO[C@](C)(C3CC3)C2)cc1	ZINC000852324289	EE	On-Demand	Anodyne	ACOX1	51	31
CC(=O)c1ccc(OC[C@@H](O)CN2CCO[C@](C)(C3CC3)C2)cc1	ZINC000852324289	EE	On-Demand	Anodyne	ABCB1	44	41
CC(=O)c1ccc(OC[C@H](O)CN2CCO[C@@](C)(C3CC3)C2)cc1	ZINC000852324291	EE	On-Demand	Anodyne	ACOX1	51	31
CC(=O)c1ccc(OC[C@H](O)CN2CCO[C@@](C)(C3CC3)C2)cc1	ZINC000852324291	EE	On-Demand	Anodyne	ABCB1	44	41
CC(=O)c1ccc(OC[C@H](O)CN2CCO[C@](C)(C3CC3)C2)cc1	ZINC000852324293	EE	On-Demand	Anodyne	ACOX1	51	31
CC(=O)c1ccc(OC[C@H](O)CN2CCO[C@](C)(C3CC3)C2)cc1	ZINC000852324293	EE	On-Demand	Anodyne	ABCB1	44	41
CC(=O)c1ccc(OC[C@@H](O)CN2CCO[C@@](C)(C3CC3)C2)cc1	ZINC000852324295	EE	On-Demand	Anodyne	ACOX1	51	31
CC(=O)c1ccc(OC[C@@H](O)CN2CCO[C@@](C)(C3CC3)C2)cc1	ZINC000852324295	EE	On-Demand	Anodyne	ABCB1	44	41
Cc1cccc(C(=O)NNC(=O)CN2CCC(c3ccco3)CC2)c1	ZINC000852324300	EE	On-Demand	Reactive	DRD4	22	48
Cc1cccc(C(=O)NNC(=O)CN2CCC(c3ccco3)CC2)c1	ZINC000852324300	EE	On-Demand	Reactive	KCNK3	51	41
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852324336	EF	On-Demand	Mild	ACE	31	43
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852324336	EF	On-Demand	Mild	MME	37	43
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852324337	EF	On-Demand	Mild	ACE	31	43
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852324337	EF	On-Demand	Mild	MME	37	43
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852324338	EF	On-Demand	Mild	ACE	31	43
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852324338	EF	On-Demand	Mild	MME	37	43
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852324339	EF	On-Demand	Mild	ACE	31	43
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852324339	EF	On-Demand	Mild	MME	37	43
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@H](COC)OC	ZINC000852324360	DD	On-Demand	Mild	MME	37	40
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@H](COC)OC	ZINC000852324360	DD	On-Demand	Mild	PAPA1_CARPA	41	36
C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@H](COC)OC	ZINC000852324361	DD	On-Demand	Mild	MME	37	40
C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@H](COC)OC	ZINC000852324361	DD	On-Demand	Mild	PAPA1_CARPA	41	36
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@@H](COC)OC	ZINC000852324362	DD	On-Demand	Mild	MME	37	40
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[C@@H](COC)OC	ZINC000852324362	DD	On-Demand	Mild	PAPA1_CARPA	41	36
C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@H](COC)OC	ZINC000852324363	DD	On-Demand	Mild	MME	37	40
C#CC[C@H](Cc1ccccc1)NC(=O)NCC[C@@H](COC)OC	ZINC000852324363	DD	On-Demand	Mild	PAPA1_CARPA	41	36
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCOC(C)(C)C	ZINC000852324398	DG	On-Demand	Mild	PAPA1_CARPA	54	41
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCOC(C)(C)C	ZINC000852324398	DG	On-Demand	Mild	CTSL	18	41
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCOC(C)(C)C	ZINC000852324398	DG	On-Demand	Mild	FPR1	51	38
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCOC(C)(C)C	ZINC000852324398	DG	On-Demand	Mild	CTRB_BOVIN	55	34
C#CC[C@H](Cc1ccccc1)NC(=O)NCCCOC(C)(C)C	ZINC000852324399	DG	On-Demand	Mild	PAPA1_CARPA	54	41
C#CC[C@H](Cc1ccccc1)NC(=O)NCCCOC(C)(C)C	ZINC000852324399	DG	On-Demand	Mild	CTSL	18	41
C#CC[C@H](Cc1ccccc1)NC(=O)NCCCOC(C)(C)C	ZINC000852324399	DG	On-Demand	Mild	FPR1	51	38
C#CC[C@H](Cc1ccccc1)NC(=O)NCCCOC(C)(C)C	ZINC000852324399	DG	On-Demand	Mild	CTRB_BOVIN	55	34
CCOC(=O)C1=C(CN2CCO[C@@](C)(C3CC3)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852324412	GE	On-Demand	Anodyne	CACNA1C	22	41
CCOC(=O)C1=C(CN2CCO[C@@](C)(C3CC3)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852324412	GE	On-Demand	Anodyne	CACNA1D	29	41
CCOC(=O)C1=C(CN2CCO[C@@](C)(C3CC3)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852324412	GE	On-Demand	Anodyne	SLC27A4	74	35
CCOC(=O)C1=C(CN2CCO[C@](C)(C3CC3)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852324413	GE	On-Demand	Anodyne	CACNA1C	22	41
CCOC(=O)C1=C(CN2CCO[C@](C)(C3CC3)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852324413	GE	On-Demand	Anodyne	CACNA1D	29	41
CCOC(=O)C1=C(CN2CCO[C@](C)(C3CC3)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852324413	GE	On-Demand	Anodyne	SLC27A4	74	35
CCOC(=O)C1=C(CN2CCO[C@@](C)(C3CC3)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852324414	GE	On-Demand	Anodyne	CACNA1C	22	41
CCOC(=O)C1=C(CN2CCO[C@@](C)(C3CC3)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852324414	GE	On-Demand	Anodyne	CACNA1D	29	41
CCOC(=O)C1=C(CN2CCO[C@@](C)(C3CC3)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852324414	GE	On-Demand	Anodyne	SLC27A4	74	35
CCOC(=O)C1=C(CN2CCO[C@](C)(C3CC3)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852324415	GE	On-Demand	Anodyne	CACNA1C	22	41
CCOC(=O)C1=C(CN2CCO[C@](C)(C3CC3)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852324415	GE	On-Demand	Anodyne	CACNA1D	29	41
CCOC(=O)C1=C(CN2CCO[C@](C)(C3CC3)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852324415	GE	On-Demand	Anodyne	SLC27A4	74	35
O[C@@H](CN1CCC(c2ccco2)CC1)c1ccc(F)cc1	ZINC000852324476	CG	On-Demand	Anodyne	SLC6A3	33	46
O[C@H](CN1CCC(c2ccco2)CC1)c1ccc(F)cc1	ZINC000852324477	CG	On-Demand	Anodyne	SLC6A3	33	46
CC(=O)Oc1ccc(CN2CCC(c3ccco3)CC2)cc1	ZINC000852324479	CH	On-Demand	Anodyne	DRD4	40	40
CC(=O)Oc1ccc(CN2CCC(c3ccco3)CC2)cc1	ZINC000852324479	CH	On-Demand	Anodyne	SIGMAR1	47	45
CC(=O)Oc1ccc(CN2CCC(c3ccco3)CC2)cc1	ZINC000852324479	CH	On-Demand	Anodyne	MCHR1	39	42
N#Cc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852324502	EF	On-Demand	Mild	LTA4H	54	46
N#Cc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852324502	EF	On-Demand	Mild	PSMB2	40	39
N#Cc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852324502	EF	On-Demand	Mild	PSMB1	43	38
N#Cc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852324502	EF	On-Demand	Mild	MEN1	46	44
N#Cc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852324504	EF	On-Demand	Mild	LTA4H	54	46
N#Cc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852324504	EF	On-Demand	Mild	PSMB2	40	39
N#Cc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852324504	EF	On-Demand	Mild	PSMB1	43	38
N#Cc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852324504	EF	On-Demand	Mild	MEN1	46	44
C[C@@](O)(CN1CCC(c2ccco2)CC1)c1ccccc1	ZINC000852324515	CG	On-Demand	Anodyne	CYP2J2	49	37
COCCCOc1ccc(CNC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852324539	GE	On-Demand	Anodyne	LTA4H	22	42
COCCCOc1ccc(CNC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852324539	GE	On-Demand	Anodyne	HRH3	23	43
COCCCOc1ccc(CNC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852324539	GE	On-Demand	Anodyne	FAAH	15	40
COCCCOc1ccc(CNC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852324539	GE	On-Demand	Anodyne	SLC6A5	35	41
O=C(CCN1CCC(c2ccco2)CC1)C1CC1	ZINC000852324550	BF	On-Demand	Anodyne	CYP2J2	46	33
COC(=O)Nc1cccc(CNC(=O)NC2CCC3(CC2)CC3(F)F)c1	ZINC000852324606	FH	On-Demand	Anodyne	EPHX2	30	40
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)c1	ZINC000852324607	DE	On-Demand	Anodyne	HTR1D	16	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)c1	ZINC000852324607	DE	On-Demand	Anodyne	HTR1B	16	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)c1	ZINC000852324607	DE	On-Demand	Anodyne	CCR3	36	40
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)c1	ZINC000852324609	DE	On-Demand	Anodyne	HTR1D	16	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)c1	ZINC000852324609	DE	On-Demand	Anodyne	HTR1B	16	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H]3C[C@H]3C2)c1	ZINC000852324609	DE	On-Demand	Anodyne	CCR3	36	40
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)c1	ZINC000852324611	DE	On-Demand	Anodyne	HTR1D	16	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)c1	ZINC000852324611	DE	On-Demand	Anodyne	HTR1B	16	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H]3C[C@@H]3C2)c1	ZINC000852324611	DE	On-Demand	Anodyne	CCR3	36	40
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)c1	ZINC000852324613	DE	On-Demand	Anodyne	HTR1D	16	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)c1	ZINC000852324613	DE	On-Demand	Anodyne	HTR1B	16	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H]3C[C@H]3C2)c1	ZINC000852324613	DE	On-Demand	Anodyne	CCR3	36	40
COC(=O)Nc1cccc(CNC(=O)NCC(F)(F)C(C)(C)C)c1	ZINC000852324615	EG	On-Demand	Anodyne	ROCK2	24	41
COC(=O)Nc1cccc(CNC(=O)N2CCc3ccc(C)cc3C2)c1	ZINC000852324617	FG	On-Demand	Anodyne	P2RY14	48	39
COC(=O)Nc1cccc(CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852324619	FF	On-Demand	Anodyne	ROCK2	36	47
COC(=O)Nc1cccc(CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852324619	FF	On-Demand	Anodyne	KCNK3	53	43
COC(=O)Nc1cccc(CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852324619	FF	On-Demand	Anodyne	KCNK9	49	43
COC(=O)Nc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852324630	FG	On-Demand	Anodyne	DRD4	42	32
COC(=O)Nc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852324630	FG	On-Demand	Anodyne	MMP13	21	41
COC(=O)Nc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852324630	FG	On-Demand	Anodyne	ROCK2	27	46
COC(=O)Nc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852324630	FG	On-Demand	Anodyne	ABCB1	15	40
COC(=O)Nc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852324630	FG	On-Demand	Anodyne	P2RY14	45	34
COCCCNC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852324632	DD	On-Demand	Mild	ADRA1A	16	51
COCCCNC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852324633	DD	On-Demand	Mild	ADRA1A	16	51
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC)c1)C1CC1	ZINC000852324644	DF	On-Demand	Anodyne	PDS	52	35
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H]2c2ccc(F)cc2)c1	ZINC000852324664	FH	On-Demand	Anodyne	CCR3	68	41
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H]2c2ccc(F)cc2)c1	ZINC000852324665	FH	On-Demand	Anodyne	CCR3	68	41
COC(=O)Nc1cccc(CNC(=O)NCCc2ccoc2)c1	ZINC000852324693	DE	On-Demand	Anodyne	NQO2	29	45
COC(=O)Nc1cccc(CNC(=O)NCCc2ccoc2)c1	ZINC000852324693	DE	On-Demand	Anodyne	ROCK2	23	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2C=CCC2)c1	ZINC000852324701	CE	On-Demand	Anodyne	ROCK2	25	41
COC(=O)Nc1cccc(CNC(=O)N[C@H]2C=CCC2)c1	ZINC000852324703	CE	On-Demand	Anodyne	ROCK2	25	41
COC(=O)Nc1cccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c1	ZINC000852324705	GF	On-Demand	Mild	HTR1D	20	43
COC(=O)Nc1cccc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c1	ZINC000852324705	GF	On-Demand	Mild	HTR1B	28	43
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)c1	ZINC000852324728	EF	On-Demand	Anodyne	ROCK2	24	40
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)c1	ZINC000852324728	EF	On-Demand	Anodyne	PDS	40	31
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2C(C)(C)C2(F)F)c1	ZINC000852324730	EF	On-Demand	Anodyne	ROCK2	24	40
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2C(C)(C)C2(F)F)c1	ZINC000852324730	EF	On-Demand	Anodyne	PDS	40	31
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324775	GG	On-Demand	Mild	DRD4	27	42
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324775	GG	On-Demand	Mild	ACHE	48	52
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324775	GG	On-Demand	Mild	HTR4	31	44
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324775	GG	On-Demand	Mild	SIGMAR1	37	42
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324775	GG	On-Demand	Mild	CACNA1I	40	37
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324776	GG	On-Demand	Mild	DRD4	27	42
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324776	GG	On-Demand	Mild	ACHE	48	52
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324776	GG	On-Demand	Mild	HTR4	31	44
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324776	GG	On-Demand	Mild	SIGMAR1	37	42
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852324776	GG	On-Demand	Mild	CACNA1I	40	37
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1	ZINC000852324824	FF	On-Demand	Mild	NPFFR1	30	43
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1	ZINC000852324825	FF	On-Demand	Mild	NPFFR1	30	43
N#C[C@@]1(c2ccccn2)CCCN(CCc2ccccc2)C1	ZINC000852324828	CG	On-Demand	Mild	SIGMAR1	25	53
N#C[C@@]1(c2ccccn2)CCCN(CCc2ccccc2)C1	ZINC000852324828	CG	On-Demand	Mild	ABCC1	25	40
N#C[C@]1(c2ccccn2)CCCN(CCc2ccccc2)C1	ZINC000852324829	CG	On-Demand	Mild	SIGMAR1	25	53
N#C[C@]1(c2ccccn2)CCCN(CCc2ccccc2)C1	ZINC000852324829	CG	On-Demand	Mild	ABCC1	25	40
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccccc2)C1	ZINC000852324881	DG	On-Demand	Mild	LTA4H	56	46
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccccc2)C1	ZINC000852324881	DG	On-Demand	Mild	HRH3	21	40
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccccc2)C1	ZINC000852324881	DG	On-Demand	Mild	PSMB2	41	38
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccccc2)C1	ZINC000852324881	DG	On-Demand	Mild	PSMB1	43	40
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccccc2)C1	ZINC000852324882	DG	On-Demand	Mild	LTA4H	56	46
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccccc2)C1	ZINC000852324882	DG	On-Demand	Mild	HRH3	21	40
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccccc2)C1	ZINC000852324882	DG	On-Demand	Mild	PSMB2	41	38
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccccc2)C1	ZINC000852324882	DG	On-Demand	Mild	PSMB1	43	40
CCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852324901	GG	On-Demand	Mild	HCN1	49	35
CCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852324901	GG	On-Demand	Mild	HCN4	41	35
CCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852324902	GG	On-Demand	Mild	HCN1	49	35
CCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852324902	GG	On-Demand	Mild	HCN4	41	35
CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852324903	GG	On-Demand	Mild	HCN1	49	35
CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852324903	GG	On-Demand	Mild	HCN4	41	35
CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852324904	GG	On-Demand	Mild	HCN1	49	35
CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852324904	GG	On-Demand	Mild	HCN4	41	35
COC(=O)Nc1cccc(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852324918	EH	On-Demand	Anodyne	HTR1D	15	41
COC(=O)Nc1cccc(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852324918	EH	On-Demand	Anodyne	HTR1B	17	41
COC(=O)Nc1cccc(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852324918	EH	On-Demand	Anodyne	TPSAB1	25	42
COC(=O)Nc1cccc(CNC(=O)N2CCC(C3CCC3)CC2)c1	ZINC000852324918	EH	On-Demand	Anodyne	P2RY14	42	32
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](C3CCC3)C2)c1	ZINC000852324919	EH	On-Demand	Anodyne	CCR3	32	44
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](C3CCC3)C2)c1	ZINC000852324919	EH	On-Demand	Anodyne	EPHX2	17	43
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](C3CCC3)C2)c1	ZINC000852324919	EH	On-Demand	Anodyne	P2RY14	43	33
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](C3CCC3)C2)c1	ZINC000852324920	EH	On-Demand	Anodyne	CCR3	32	44
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](C3CCC3)C2)c1	ZINC000852324920	EH	On-Demand	Anodyne	EPHX2	17	43
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](C3CCC3)C2)c1	ZINC000852324920	EH	On-Demand	Anodyne	P2RY14	43	33
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc3ccccc3c2)C1	ZINC000852324927	FI	On-Demand	Mild	LTA4H	41	42
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc3ccccc3c2)C1	ZINC000852324928	FI	On-Demand	Mild	LTA4H	41	42
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1	ZINC000852324931	GF	On-Demand	Mild	HSD11B1	40	35
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1	ZINC000852324935	GF	On-Demand	Mild	HSD11B1	40	35
O=C(CN1CCC(c2ccco2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852324956	GF	On-Demand	Bother	SSTR1	60	49
NC(=O)COc1ccc(CN2CCC(c3ccco3)CC2)cc1	ZINC000852324962	DF	On-Demand	Anodyne	LTA4H	34	40
NC(=O)COc1ccc(CN2CCC(c3ccco3)CC2)cc1	ZINC000852324962	DF	On-Demand	Anodyne	HRH3	22	43
O[C@@H](CN1CCC(c2ccco2)CC1)c1cccc(Br)c1	ZINC000852324994	FH	On-Demand	Anodyne	SLC18A3	16	55
O[C@H](CN1CCC(c2ccco2)CC1)c1cccc(Br)c1	ZINC000852324996	FH	On-Demand	Anodyne	SLC18A3	16	55
CCOc1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325010	GF	On-Demand	Mild	ABCB1	40	38
CCOc1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325012	GF	On-Demand	Mild	ABCB1	40	38
CCOc1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325014	GF	On-Demand	Mild	ABCB1	40	38
CCOc1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325015	GF	On-Demand	Mild	ABCB1	40	38
COc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325021	FG	On-Demand	Mild	LTA4H	30	40
COc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325021	FG	On-Demand	Mild	HRH3	73	43
COc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325021	FG	On-Demand	Mild	SIGMAR1	20	42
COc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325021	FG	On-Demand	Mild	HTR5A	19	41
COc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325021	FG	On-Demand	Mild	EBP	48	42
COc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325021	FG	On-Demand	Mild	HNMT	41	36
COc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325021	FG	On-Demand	Mild	MEN1	47	43
COc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325024	FG	On-Demand	Mild	LTA4H	30	40
COc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325024	FG	On-Demand	Mild	HRH3	73	43
COc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325024	FG	On-Demand	Mild	SIGMAR1	20	42
COc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325024	FG	On-Demand	Mild	HTR5A	19	41
COc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325024	FG	On-Demand	Mild	EBP	48	42
COc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325024	FG	On-Demand	Mild	HNMT	41	36
COc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325024	FG	On-Demand	Mild	MEN1	47	43
N#C[C@@]1(c2ccccn2)CCCN(CCOc2cccc(Cl)c2)C1	ZINC000852325039	EH	On-Demand	Mild	LTA4H	27	41
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(c2ccco2)CC1	ZINC000852325076	FE	On-Demand	Reactive	DRD4	15	45
N#C[C@]1(c2ccccn2)CCCN(CCOc2cccc(Cl)c2)C1	ZINC000852325080	EH	On-Demand	Mild	LTA4H	27	41
COC(=O)Nc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852325082	ED	On-Demand	Anodyne	HTR1D	20	42
COC(=O)Nc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852325082	ED	On-Demand	Anodyne	HTR1B	20	42
COC(=O)Nc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852325082	ED	On-Demand	Anodyne	P2RY14	58	40
COC(=O)Nc1cccc(CNC(=O)N2CCc3nccnc3C2)c1	ZINC000852325082	ED	On-Demand	Anodyne	NAMPT	28	40
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1	ZINC000852325096	GF	On-Demand	Anodyne	CCR3	36	43
N#C[C@]1(c2ccccn2)CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852325097	CE	On-Demand	Mild	SLC18A3	36	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1	ZINC000852325100	GF	On-Demand	Anodyne	CCR3	36	43
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1	ZINC000852325102	GF	On-Demand	Anodyne	CCR3	36	43
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c1	ZINC000852325105	GF	On-Demand	Anodyne	CCR3	36	43
N#C[C@@]1(c2ccccn2)CCCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852325108	CE	On-Demand	Mild	SLC18A3	36	40
O=C(CN1CCC(c2ccco2)CC1)OCc1ccccc1	ZINC000852325126	CG	On-Demand	Anodyne	CCR5	28	44
O=C(CN1CCC(c2ccco2)CC1)OCc1ccccc1	ZINC000852325126	CG	On-Demand	Anodyne	SLC12A5	60	37
Cc1oc(-c2ccccc2)nc1CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852325146	FI	On-Demand	Mild	PPARG	43	35
Cc1oc(-c2ccccc2)nc1CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852325146	FI	On-Demand	Mild	PPARA	42	35
Cc1oc(-c2ccccc2)nc1CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852325146	FI	On-Demand	Mild	PDE8B	63	39
Cc1oc(-c2ccccc2)nc1CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852325149	FI	On-Demand	Mild	PPARG	43	35
Cc1oc(-c2ccccc2)nc1CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852325149	FI	On-Demand	Mild	PPARA	42	35
Cc1oc(-c2ccccc2)nc1CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852325149	FI	On-Demand	Mild	PDE8B	63	39
O=C(NCCCN1CCC(c2ccco2)CC1)C(F)(F)F	ZINC000852325162	DF	On-Demand	Anodyne	ADRA1D	16	42
O=C(NCCCN1CCC(c2ccco2)CC1)C(F)(F)F	ZINC000852325162	DF	On-Demand	Anodyne	ADRA1A	24	42
O=C(NCCCN1CCC(c2ccco2)CC1)C(F)(F)F	ZINC000852325162	DF	On-Demand	Anodyne	ADRA1B	19	42
O=C(NCCCN1CCC(c2ccco2)CC1)C(F)(F)F	ZINC000852325162	DF	On-Demand	Anodyne	CCR3	19	42
O=C(NCCCN1CCC(c2ccco2)CC1)C(F)(F)F	ZINC000852325162	DF	On-Demand	Anodyne	CYP2J2	45	32
COC(=O)Nc1cccc(CNC(=O)NCc2cccc(OC)c2C)c1	ZINC000852325166	FG	On-Demand	Anodyne	NQO2	22	43
COC(=O)Nc1cccc(CNC(=O)NCc2cccc(OC)c2C)c1	ZINC000852325166	FG	On-Demand	Anodyne	ROCK2	32	43
COC(=O)Nc1cccc(CNC(=O)NCc2cccc(OC)c2C)c1	ZINC000852325166	FG	On-Demand	Anodyne	KCNK3	67	42
COC(=O)Nc1cccc(CNC(=O)NCc2cccc(OC)c2C)c1	ZINC000852325166	FG	On-Demand	Anodyne	KCNK9	67	42
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(F)cc2)C1	ZINC000852325172	EG	On-Demand	Mild	LTA4H	51	47
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(F)cc2)C1	ZINC000852325172	EG	On-Demand	Mild	PSMB1	42	37
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(F)cc2)C1	ZINC000852325172	EG	On-Demand	Mild	MEN1	40	36
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(F)cc2)C1	ZINC000852325178	EG	On-Demand	Mild	LTA4H	51	47
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(F)cc2)C1	ZINC000852325178	EG	On-Demand	Mild	PSMB1	42	37
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(F)cc2)C1	ZINC000852325178	EG	On-Demand	Mild	MEN1	40	36
COC(=O)Nc1cccc(CNC(=O)NCCCc2ccco2)c1	ZINC000852325182	EF	On-Demand	Anodyne	NQO2	26	45
COC(=O)Nc1cccc(CNC(=O)NCCc2cncc(C)n2)c1	ZINC000852325186	EE	On-Demand	Anodyne	HTR1D	20	42
COC(=O)Nc1cccc(CNC(=O)NCCc2cncc(C)n2)c1	ZINC000852325186	EE	On-Demand	Anodyne	HTR1B	16	42
COC(=O)Nc1cccc(CNC(=O)NCCc2cncc(C)n2)c1	ZINC000852325186	EE	On-Demand	Anodyne	NQO2	21	41
COC(=O)Nc1cccc(CNC(=O)NCCc2cncc(C)n2)c1	ZINC000852325186	EE	On-Demand	Anodyne	ROCK2	30	41
O=C(NCc1ncccn1)NCc1c(F)cccc1N1CCCC1	ZINC000852325197	EE	On-Demand	Anodyne	KCNQ2	64	37
COC(=O)c1sccc1NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852325201	GE	On-Demand	Mild	FAS	45	44
COC(=O)c1sccc1NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852325203	GE	On-Demand	Mild	FAS	45	44
O=c1cc(CN2CCC(c3ccco3)CC2)c2ccc(O)cc2o1	ZINC000852325204	EG	On-Demand	Anodyne	HSD17B3	35	49
O[C@@H](CN1CCC(c2ccco2)CC1)c1ccccc1C(F)(F)F	ZINC000852325219	EI	On-Demand	Anodyne	RBP4	27	43
O[C@H](CN1CCC(c2ccco2)CC1)c1ccccc1C(F)(F)F	ZINC000852325220	EI	On-Demand	Anodyne	RBP4	27	43
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2cscn2)c1	ZINC000852325224	EF	On-Demand	Anodyne	ANPEP	15	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2cscn2)c1	ZINC000852325224	EF	On-Demand	Anodyne	ROCK1	15	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2cscn2)c1	ZINC000852325224	EF	On-Demand	Anodyne	ROCK2	30	43
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2cscn2)c1	ZINC000852325228	EF	On-Demand	Anodyne	ANPEP	15	40
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2cscn2)c1	ZINC000852325228	EF	On-Demand	Anodyne	ROCK1	15	40
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2cscn2)c1	ZINC000852325228	EF	On-Demand	Anodyne	ROCK2	30	43
C[C@H]1CCCCN1C(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852325232	EE	On-Demand	Mild	CPT1A	48	35
C[C@H]1CCCCN1C(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852325234	EE	On-Demand	Mild	CPT1A	48	35
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000852325236	DG	On-Demand	Mild	KCNJ1	21	41
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000852325237	DG	On-Demand	Mild	KCNJ1	21	41
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325314	DE	On-Demand	Mild	MME	29	42
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325314	DE	On-Demand	Mild	PAPA1_CARPA	42	33
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325314	DE	On-Demand	Mild	TIMP3	87	41
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325314	DE	On-Demand	Mild	CAPNS1	51	33
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325314	DE	On-Demand	Mild	CAPN1	40	36
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325314	DE	On-Demand	Mild	CAPN2	44	31
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325315	DE	On-Demand	Mild	MME	29	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325315	DE	On-Demand	Mild	PAPA1_CARPA	42	33
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325315	DE	On-Demand	Mild	TIMP3	87	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325315	DE	On-Demand	Mild	CAPNS1	51	33
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325315	DE	On-Demand	Mild	CAPN1	40	36
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](OCC)C1	ZINC000852325315	DE	On-Demand	Mild	CAPN2	44	31
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1(SCC)CC1	ZINC000852325359	DG	On-Demand	Mild	MME	46	36
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1(SCC)CC1	ZINC000852325362	DG	On-Demand	Mild	MME	46	36
C#CC[C@@H](Cc1ccccc1)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	ZINC000852325396	GD	On-Demand	Reactive	TACR3	16	40
C#CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C	ZINC000852325397	GD	On-Demand	Reactive	TACR3	16	40
COC(=O)Nc1cccc(CNC(=O)NCCC(C)(C)F)c1	ZINC000852325411	DF	On-Demand	Anodyne	ROCK2	25	41
COC(=O)Nc1cccc(CNC(=O)NCCC(C)(C)F)c1	ZINC000852325411	DF	On-Demand	Anodyne	PDS	45	33
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852325419	CE	On-Demand	Mild	CYP3A4	27	49
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852325419	CE	On-Demand	Mild	TAAR1	22	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C(C)C)C2CC2)c1	ZINC000852325420	DG	On-Demand	Anodyne	ANPEP	19	43
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C(C)C)C2CC2)c1	ZINC000852325420	DG	On-Demand	Anodyne	ROCK2	27	41
COC(=O)Nc1cccc(CNC(=O)N[C@H](C(C)C)C2CC2)c1	ZINC000852325421	DG	On-Demand	Anodyne	ANPEP	19	43
COC(=O)Nc1cccc(CNC(=O)N[C@H](C(C)C)C2CC2)c1	ZINC000852325421	DG	On-Demand	Anodyne	ROCK2	27	41
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852325422	CE	On-Demand	Mild	CYP3A4	27	49
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1	ZINC000852325422	CE	On-Demand	Mild	TAAR1	22	40
COC(=O)Nc1cccc(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)c1	ZINC000852325441	GD	On-Demand	Anodyne	ROCK2	26	40
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325459	GE	On-Demand	Mild	ADRB1	27	42
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325459	GE	On-Demand	Mild	ACOX1	54	38
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325459	GE	On-Demand	Mild	ABCB1	44	39
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325467	GE	On-Demand	Mild	ADRB1	27	42
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325467	GE	On-Demand	Mild	ACOX1	54	38
CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325467	GE	On-Demand	Mild	ABCB1	44	39
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325469	GE	On-Demand	Mild	ADRB1	27	42
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325469	GE	On-Demand	Mild	ACOX1	54	38
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325469	GE	On-Demand	Mild	ABCB1	44	39
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325471	GE	On-Demand	Mild	ADRB1	27	42
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325471	GE	On-Demand	Mild	ACOX1	54	38
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325471	GE	On-Demand	Mild	ABCB1	44	39
C[C@H]1CCc2ccccc2N1C(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852325496	FG	On-Demand	Mild	DRD4	24	40
C[C@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852325500	FG	On-Demand	Mild	DRD4	24	40
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852325503	FG	On-Demand	Anodyne	CCR3	41	38
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852325503	FG	On-Demand	Anodyne	SLC6A5	17	40
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)c1	ZINC000852325503	FG	On-Demand	Anodyne	EPHX2	35	43
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852325504	FG	On-Demand	Anodyne	CCR3	41	38
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852325504	FG	On-Demand	Anodyne	SLC6A5	17	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)c1	ZINC000852325504	FG	On-Demand	Anodyne	EPHX2	35	43
C[C@H](NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852325507	GG	On-Demand	Mild	PRCP	29	43
C[C@@H](NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852325513	GG	On-Demand	Mild	PRCP	29	43
C[C@@H](NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852325515	GG	On-Demand	Mild	PRCP	29	43
C[C@H](NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1	ZINC000852325517	GG	On-Demand	Mild	PRCP	29	43
N#C[C@@]1(c2ccccn2)CCCN(CCOc2cccc(Br)c2)C1	ZINC000852325524	GH	On-Demand	Mild	LTA4H	26	41
N#C[C@]1(c2ccccn2)CCCN(CCOc2cccc(Br)c2)C1	ZINC000852325526	GH	On-Demand	Mild	LTA4H	26	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccccc2F)C1	ZINC000852325528	FF	On-Demand	Mild	ABCB1	48	39
COC(=O)Nc1cccc(CNC(=O)N2CCC(c3ccco3)CC2)c1	ZINC000852325530	FH	On-Demand	Anodyne	NQO2	16	40
COC(=O)Nc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852325531	GF	On-Demand	Anodyne	HTR1D	17	40
COC(=O)Nc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852325531	GF	On-Demand	Anodyne	TRPV1	19	41
COC(=O)Nc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852325531	GF	On-Demand	Anodyne	SCN2A	18	44
COC(=O)Nc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852325531	GF	On-Demand	Anodyne	ROCK2	28	41
COC(=O)Nc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852325531	GF	On-Demand	Anodyne	SCN10A	21	44
C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852325532	EH	On-Demand	Mild	CCR3	20	41
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852325533	EH	On-Demand	Mild	CCR3	20	41
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccccc2F)C1	ZINC000852325534	FF	On-Demand	Mild	ABCB1	48	39
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852325535	EH	On-Demand	Mild	CCR3	20	41
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccccc2F)C1	ZINC000852325536	FF	On-Demand	Mild	ABCB1	48	39
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852325537	EH	On-Demand	Mild	CCR3	20	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccccc2F)C1	ZINC000852325538	FF	On-Demand	Mild	ABCB1	48	39
N#C[C@@]1(c2ccccn2)CCCN(CCCc2ccccc2)C1	ZINC000852325540	DH	On-Demand	Mild	SIGMAR1	33	55
COC(=O)Nc1cccc(CNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852325541	ED	On-Demand	Anodyne	NQO2	21	41
COC(=O)Nc1cccc(CNC(=O)NCCN(C)C(=O)OC)c1	ZINC000852325541	ED	On-Demand	Anodyne	ROCK2	27	41
N#C[C@]1(c2ccccn2)CCCN(CCCc2ccccc2)C1	ZINC000852325542	DH	On-Demand	Mild	SIGMAR1	33	55
COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325543	GE	On-Demand	Mild	ACOX1	53	32
COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325543	GE	On-Demand	Mild	ABCB1	51	42
COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325544	GE	On-Demand	Mild	ACOX1	53	32
COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325544	GE	On-Demand	Mild	ABCB1	51	42
COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325545	GE	On-Demand	Mild	ACOX1	53	32
COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325545	GE	On-Demand	Mild	ABCB1	51	42
COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325546	GE	On-Demand	Mild	ACOX1	53	32
COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325546	GE	On-Demand	Mild	ABCB1	51	42
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)c2nccn2C)c1	ZINC000852325551	EE	On-Demand	Anodyne	ROCK2	27	42
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2nccn2C)c1	ZINC000852325552	EE	On-Demand	Anodyne	ROCK2	27	42
COC(=O)Nc1cccc(CNC(=O)NCC2=CCCC2)c1	ZINC000852325555	DF	On-Demand	Anodyne	ROCK2	25	40
COC(=O)Nc1cccc(CNC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)c1	ZINC000852325570	FF	On-Demand	Anodyne	SOAT1	26	41
COC(=O)Nc1cccc(CNC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)c1	ZINC000852325570	FF	On-Demand	Anodyne	PDS	55	37
COC(=O)Nc1cccc(CNC(=O)NC[C@H](O)[C@H](C)c2ccccc2)c1	ZINC000852325571	FF	On-Demand	Anodyne	SOAT1	26	41
COC(=O)Nc1cccc(CNC(=O)NC[C@H](O)[C@H](C)c2ccccc2)c1	ZINC000852325571	FF	On-Demand	Anodyne	PDS	55	37
COC(=O)Nc1cccc(CNC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)c1	ZINC000852325572	FF	On-Demand	Anodyne	SOAT1	26	41
COC(=O)Nc1cccc(CNC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)c1	ZINC000852325572	FF	On-Demand	Anodyne	PDS	55	37
COC(=O)Nc1cccc(CNC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)c1	ZINC000852325573	FF	On-Demand	Anodyne	SOAT1	26	41
COC(=O)Nc1cccc(CNC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)c1	ZINC000852325573	FF	On-Demand	Anodyne	PDS	55	37
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852325578	GF	On-Demand	Anodyne	DRD2	24	44
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852325578	GF	On-Demand	Anodyne	SIGMAR1	26	46
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852325578	GF	On-Demand	Anodyne	NPY1R	41	39
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852325578	GF	On-Demand	Anodyne	CCR3	44	41
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852325578	GF	On-Demand	Anodyne	EPHX2	24	40
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852325578	GF	On-Demand	Anodyne	MCHR1	17	40
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852325578	GF	On-Demand	Anodyne	NPFFR1	40	38
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852325579	GF	On-Demand	Anodyne	DRD2	24	44
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852325579	GF	On-Demand	Anodyne	SIGMAR1	26	46
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852325579	GF	On-Demand	Anodyne	NPY1R	41	39
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852325579	GF	On-Demand	Anodyne	CCR3	44	41
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852325579	GF	On-Demand	Anodyne	EPHX2	24	40
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852325579	GF	On-Demand	Anodyne	MCHR1	17	40
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852325579	GF	On-Demand	Anodyne	NPFFR1	40	38
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)COc2c(F)cccc2F)c1	ZINC000852325580	GG	On-Demand	Anodyne	ANPEP	15	42
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)COc2c(F)cccc2F)c1	ZINC000852325580	GG	On-Demand	Anodyne	PDS	61	35
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)COc2c(F)cccc2F)c1	ZINC000852325581	GG	On-Demand	Anodyne	ANPEP	15	42
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)COc2c(F)cccc2F)c1	ZINC000852325581	GG	On-Demand	Anodyne	PDS	61	35
N#Cc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325596	EG	On-Demand	Mild	LTA4H	31	41
N#Cc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325596	EG	On-Demand	Mild	HRH3	64	55
N#Cc1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852325596	EG	On-Demand	Mild	MEN1	56	50
N#Cc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325597	EG	On-Demand	Mild	LTA4H	31	41
N#Cc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325597	EG	On-Demand	Mild	HRH3	64	55
N#Cc1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852325597	EG	On-Demand	Mild	MEN1	56	50
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(C(N)=O)cc2)C1	ZINC000852325598	DE	On-Demand	Mild	NPFFR1	43	40
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(C(N)=O)cc2)C1	ZINC000852325599	DE	On-Demand	Mild	NPFFR1	43	40
N#C[C@@]1(c2ccccn2)CCCN(Cc2cccc(C(N)=O)c2)C1	ZINC000852325604	DE	On-Demand	Mild	FABP4	19	43
N#C[C@@]1(c2ccccn2)CCCN(Cc2cccc(C(N)=O)c2)C1	ZINC000852325604	DE	On-Demand	Mild	NPFFR1	41	38
N#C[C@]1(c2ccccn2)CCCN(Cc2cccc(C(N)=O)c2)C1	ZINC000852325605	DE	On-Demand	Mild	FABP4	19	43
N#C[C@]1(c2ccccn2)CCCN(Cc2cccc(C(N)=O)c2)C1	ZINC000852325605	DE	On-Demand	Mild	NPFFR1	41	38
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852325646	CF	On-Demand	Mild	RBP4	45	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852325646	CF	On-Demand	Mild	AMP1_PLAFQ	19	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852325649	CF	On-Demand	Mild	RBP4	45	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852325649	CF	On-Demand	Mild	AMP1_PLAFQ	19	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852325650	CF	On-Demand	Mild	RBP4	45	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852325650	CF	On-Demand	Mild	AMP1_PLAFQ	19	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852325651	CF	On-Demand	Mild	RBP4	45	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852325651	CF	On-Demand	Mild	AMP1_PLAFQ	19	40
C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852325672	FH	On-Demand	Mild	EPHB3	45	32
C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852325677	FH	On-Demand	Mild	EPHB3	45	32
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852325721	FD	On-Demand	Mild	CAPN1	24	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1	ZINC000852325723	FD	On-Demand	Mild	CAPN1	24	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325725	GG	On-Demand	Mild	PAPA1_CARPA	37	41
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325725	GG	On-Demand	Mild	CCKAR	52	34
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325725	GG	On-Demand	Mild	CTSL	19	41
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325725	GG	On-Demand	Mild	REN	41	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325725	GG	On-Demand	Mild	FPR1	46	37
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325727	GG	On-Demand	Mild	PAPA1_CARPA	37	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325727	GG	On-Demand	Mild	CCKAR	52	34
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325727	GG	On-Demand	Mild	CTSL	19	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325727	GG	On-Demand	Mild	REN	41	36
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852325727	GG	On-Demand	Mild	FPR1	46	37
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325730	FI	On-Demand	Mild	LTA4H	30	41
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325730	FI	On-Demand	Mild	HRH3	65	41
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325730	FI	On-Demand	Mild	HTR5A	17	40
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325730	FI	On-Demand	Mild	EBP	19	41
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325730	FI	On-Demand	Mild	MEN1	47	41
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325734	FI	On-Demand	Mild	LTA4H	30	41
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325734	FI	On-Demand	Mild	HRH3	65	41
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325734	FI	On-Demand	Mild	HTR5A	17	40
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325734	FI	On-Demand	Mild	EBP	19	41
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852325734	FI	On-Demand	Mild	MEN1	47	41
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCc2cccc(Cl)c2)C1	ZINC000852325745	FF	On-Demand	Mild	F2	15	45
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCc2cccc(Cl)c2)C1	ZINC000852325747	FF	On-Demand	Mild	F2	15	45
COC(=O)Nc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852325790	FD	On-Demand	Anodyne	HTR1D	20	42
COC(=O)Nc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852325790	FD	On-Demand	Anodyne	HTR1B	21	42
COC(=O)Nc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852325790	FD	On-Demand	Anodyne	SIGMAR1	16	40
COC(=O)Nc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852325790	FD	On-Demand	Anodyne	EPHX2	52	44
COC(=O)Nc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852325790	FD	On-Demand	Anodyne	TPSAB1	22	42
COC(=O)Nc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852325790	FD	On-Demand	Anodyne	MCHR1	18	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H](c2ccccc2F)C(C)C)c1	ZINC000852325801	FI	On-Demand	Anodyne	ANPEP	18	41
COC(=O)Nc1cccc(CNC(=O)N[C@H](c2ccccc2F)C(C)C)c1	ZINC000852325802	FI	On-Demand	Anodyne	ANPEP	18	41
COC(=O)Nc1cccc(CNC(=O)NCC2SCCS2)c1	ZINC000852325809	EE	On-Demand	Anodyne	ROCK2	25	40
COC(=O)Nc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852325820	FF	On-Demand	Anodyne	HTR4	49	38
COC(=O)Nc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852325820	FF	On-Demand	Anodyne	CCR3	84	46
COC(=O)Nc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852325820	FF	On-Demand	Anodyne	EPHX2	28	41
COC(=O)Nc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852325820	FF	On-Demand	Anodyne	MCHR1	25	40
COC(=O)Nc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852325820	FF	On-Demand	Anodyne	CACNA1I	68	38
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)c1	ZINC000852325829	FF	On-Demand	Anodyne	CCR3	49	42
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)c1	ZINC000852325829	FF	On-Demand	Anodyne	PLD1	47	34
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)CN2CCC(C)CC2)c1	ZINC000852325830	FF	On-Demand	Anodyne	CCR3	49	42
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)CN2CCC(C)CC2)c1	ZINC000852325830	FF	On-Demand	Anodyne	PLD1	47	34
COC(=O)Nc1cccc(CNC(=O)N2CCC(c3ccon3)CC2)c1	ZINC000852325837	FF	On-Demand	Anodyne	SMO	31	41
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)c1	ZINC000852325846	GG	On-Demand	Anodyne	P2RY14	41	32
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)c1	ZINC000852325847	GG	On-Demand	Anodyne	P2RY14	41	32
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)c1	ZINC000852325848	GG	On-Demand	Anodyne	P2RY14	41	32
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)c1	ZINC000852325849	GG	On-Demand	Anodyne	P2RY14	41	32
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H](N(C)c3ccccc3)C2)c1	ZINC000852325858	GG	On-Demand	Anodyne	CCR3	25	40
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H](N(C)c3ccccc3)C2)c1	ZINC000852325859	GG	On-Demand	Anodyne	CCR3	25	40
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(F)(F)F)CC3)C2)cc1	ZINC000852325866	FF	On-Demand	Clean	MTNR1A	19	47
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(F)(F)F)CC3)C2)cc1	ZINC000852325866	FF	On-Demand	Clean	MTNR1B	20	47
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(F)(F)F)CC3)C2)cc1	ZINC000852325866	FF	On-Demand	Clean	CCR2	20	41
COc1ccc(N2CC[C@H](NC(=O)NCC3(C(F)(F)F)CC3)C2)cc1	ZINC000852325866	FF	On-Demand	Clean	MCHR1	21	45
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(F)cc2)C1	ZINC000852325953	EH	On-Demand	Mild	LTA4H	31	41
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(F)cc2)C1	ZINC000852325953	EH	On-Demand	Mild	HRH3	65	43
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(F)cc2)C1	ZINC000852325953	EH	On-Demand	Mild	HTR5A	21	45
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc(F)cc2)C1	ZINC000852325953	EH	On-Demand	Mild	MEN1	49	41
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(F)cc2)C1	ZINC000852325954	EH	On-Demand	Mild	LTA4H	31	41
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(F)cc2)C1	ZINC000852325954	EH	On-Demand	Mild	HRH3	65	43
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(F)cc2)C1	ZINC000852325954	EH	On-Demand	Mild	HTR5A	21	45
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc(F)cc2)C1	ZINC000852325954	EH	On-Demand	Mild	MEN1	49	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC)C1CC1	ZINC000852326070	CG	On-Demand	Mild	MME	60	36
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC)C1CC1	ZINC000852326070	CG	On-Demand	Mild	TIMP3	43	31
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)C1CC1	ZINC000852326071	CG	On-Demand	Mild	MME	60	36
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CC)C1CC1	ZINC000852326071	CG	On-Demand	Mild	TIMP3	43	31
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC)C1CC1	ZINC000852326072	CG	On-Demand	Mild	MME	60	36
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC)C1CC1	ZINC000852326072	CG	On-Demand	Mild	TIMP3	43	31
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)C1CC1	ZINC000852326073	CG	On-Demand	Mild	MME	60	36
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC)C1CC1	ZINC000852326073	CG	On-Demand	Mild	TIMP3	43	31
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000852326093	GE	On-Demand	Anodyne	SSTR2	36	41
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000852326093	GE	On-Demand	Anodyne	CCR3	31	43
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000852326093	GE	On-Demand	Anodyne	DPP7	45	39
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000852326095	GE	On-Demand	Anodyne	SSTR2	36	41
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000852326095	GE	On-Demand	Anodyne	CCR3	31	43
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000852326095	GE	On-Demand	Anodyne	DPP7	45	39
COC(=O)Nc1cccc(CNC(=O)NCC(C)(C)CC(F)(F)F)c1	ZINC000852326102	FH	On-Demand	Anodyne	ROCK2	21	40
COC(=O)Nc1cccc(CNC(=O)NCC2(S(C)(=O)=O)CCCCC2)c1	ZINC000852326108	GE	On-Demand	Anodyne	ROCK2	21	40
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H]2c2c(C)cccc2C)c1	ZINC000852326122	GJ	On-Demand	Anodyne	HTR1D	20	41
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H]2c2c(C)cccc2C)c1	ZINC000852326122	GJ	On-Demand	Anodyne	HTR1B	18	41
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2c2c(C)cccc2C)c1	ZINC000852326123	GJ	On-Demand	Anodyne	HTR1D	20	41
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2c2c(C)cccc2C)c1	ZINC000852326123	GJ	On-Demand	Anodyne	HTR1B	18	41
COC(=O)Nc1cccc(CNC(=O)N2CCC3=C(CCC(=O)N3)C2)c1	ZINC000852326128	FD	On-Demand	Anodyne	P2RY14	45	34
COC[C@@H](CCNC(=O)NCc1cccc(NC(=O)OC)c1)OC	ZINC000852326154	ED	On-Demand	Anodyne	PDS	58	35
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](CC#N)C2)c1	ZINC000852326168	EF	On-Demand	Mild	CCR3	46	47
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](CC#N)C2)c1	ZINC000852326171	EF	On-Demand	Mild	CCR3	46	47
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852326180	GD	On-Demand	Mild	FKBP1A	51	38
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852326180	GD	On-Demand	Mild	CPT1A	48	36
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852326184	GD	On-Demand	Mild	FKBP1A	51	38
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852326184	GD	On-Demand	Mild	CPT1A	48	36
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000852326186	GE	On-Demand	Mild	ABCB1	28	40
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000852326188	GE	On-Demand	Mild	ABCB1	28	40
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000852326190	GE	On-Demand	Mild	ABCB1	28	40
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000852326191	GE	On-Demand	Mild	ABCB1	28	40
CC[C@@H](C)CCNC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852326203	DG	On-Demand	Anodyne	ROCK2	25	40
CC[C@@H](C)CCNC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852326203	DG	On-Demand	Anodyne	PDS	62	36
CN1CCCC[C@H]1CCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852326216	DF	On-Demand	Mild	CHRNA10	43	34
CN1CCCC[C@@H]1CCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852326217	DF	On-Demand	Mild	CHRNA10	43	34
CN1CCCC[C@@H]1CCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852326218	DF	On-Demand	Mild	CHRNA10	43	34
CN1CCCC[C@H]1CCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852326219	DF	On-Demand	Mild	CHRNA10	43	34
CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852326220	GF	On-Demand	Mild	ACOX1	56	35
CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852326220	GF	On-Demand	Mild	ABCB1	53	52
CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852326221	GF	On-Demand	Mild	ACOX1	56	35
CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852326221	GF	On-Demand	Mild	ABCB1	53	52
CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852326222	GF	On-Demand	Mild	ACOX1	56	35
CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852326222	GF	On-Demand	Mild	ABCB1	53	52
CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852326223	GF	On-Demand	Mild	ACOX1	56	35
CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852326223	GF	On-Demand	Mild	ABCB1	53	52
Cc1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)c(C)c1	ZINC000852326272	FF	On-Demand	Mild	ABCB1	58	42
Cc1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c(C)c1	ZINC000852326273	FF	On-Demand	Mild	ABCB1	58	42
Cc1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)c(C)c1	ZINC000852326274	FF	On-Demand	Mild	ABCB1	58	42
Cc1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c(C)c1	ZINC000852326275	FF	On-Demand	Mild	ABCB1	58	42
CCCOc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326285	FH	On-Demand	Mild	LTA4H	52	46
CCCOc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326285	FH	On-Demand	Mild	PSMB2	42	39
CCCOc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326285	FH	On-Demand	Mild	PSMB1	44	38
CCCOc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326286	FH	On-Demand	Mild	LTA4H	52	46
CCCOc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326286	FH	On-Demand	Mild	PSMB2	42	39
CCCOc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326286	FH	On-Demand	Mild	PSMB1	44	38
COC(=O)Nc1cccc(CNC(=O)N2CCn3c(nnc3C(C)(C)C)C2)c1	ZINC000852326311	GE	On-Demand	Anodyne	P2RY14	42	33
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326335	GF	On-Demand	Clean	MTNR1A	24	48
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326335	GF	On-Demand	Clean	MTNR1B	24	48
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326335	GF	On-Demand	Clean	ROCK2	25	40
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326335	GF	On-Demand	Clean	EPHX2	25	41
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326335	GF	On-Demand	Clean	MCHR1	27	46
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326338	GF	On-Demand	Clean	MTNR1A	24	48
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326338	GF	On-Demand	Clean	MTNR1B	24	48
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326338	GF	On-Demand	Clean	ROCK2	25	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326338	GF	On-Demand	Clean	EPHX2	25	41
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852326338	GF	On-Demand	Clean	MCHR1	27	46
N#C[C@]1(c2ccccn2)CCCN(Cc2ccccc2)C1	ZINC000852326354	CG	On-Demand	Mild	SIGMAR1	28	51
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccccc2)C1	ZINC000852326360	CG	On-Demand	Mild	SIGMAR1	28	51
COC(=O)Nc1cccc(CNC(=O)NCc2cccc(OC3CC3)c2F)c1	ZINC000852326363	GH	On-Demand	Anodyne	CCR3	42	38
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)c1	ZINC000852326410	EF	On-Demand	Anodyne	CCR3	40	39
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)c1	ZINC000852326410	EF	On-Demand	Anodyne	EPHX2	40	39
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)c1	ZINC000852326410	EF	On-Demand	Anodyne	MCHR1	15	43
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852326413	EF	On-Demand	Anodyne	CCR3	40	39
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852326413	EF	On-Demand	Anodyne	EPHX2	40	39
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852326413	EF	On-Demand	Anodyne	MCHR1	15	43
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000852326417	GE	On-Demand	Mild	IMDH_CRYPV	17	42
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000852326420	GE	On-Demand	Mild	IMDH_CRYPV	17	42
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccccc2)C1	ZINC000852326451	EE	On-Demand	Mild	ABCB1	44	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccccc2)C1	ZINC000852326453	EE	On-Demand	Mild	ABCB1	44	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccccc2)C1	ZINC000852326456	EE	On-Demand	Mild	ABCB1	44	41
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccccc2)C1	ZINC000852326459	EE	On-Demand	Mild	ABCB1	44	41
COC(=O)Nc1cccc(CNC(=O)NC[C@H](OC)C2CCCCC2)c1	ZINC000852326481	FG	On-Demand	Anodyne	ROCK2	20	40
COC(=O)Nc1cccc(CNC(=O)NC[C@@H](OC)C2CCCCC2)c1	ZINC000852326484	FG	On-Demand	Anodyne	ROCK2	20	40
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852326498	GH	On-Demand	Mild	ADRB2	16	46
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852326498	GH	On-Demand	Mild	ABCB1	53	44
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852326501	GH	On-Demand	Mild	ADRB2	16	46
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852326501	GH	On-Demand	Mild	ABCB1	53	44
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852326504	GH	On-Demand	Mild	ADRB2	16	46
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852326504	GH	On-Demand	Mild	ABCB1	53	44
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852326508	GH	On-Demand	Mild	ADRB2	16	46
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852326508	GH	On-Demand	Mild	ABCB1	53	44
COC(=O)Nc1cccc(CNC(=O)N2CC[C@H](C3CCCCC3)C2)c1	ZINC000852326545	FH	On-Demand	Anodyne	CCR3	30	40
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@H](C3CCCCC3)C2)c1	ZINC000852326547	FH	On-Demand	Anodyne	CCR3	30	40
COC(=O)Nc1cccc(CNC(=O)NCC(F)(F)c2ccccc2C)c1	ZINC000852326549	GH	On-Demand	Anodyne	KCNK3	47	35
COC(=O)Nc1cccc(CNC(=O)NCC(F)(F)c2ccccc2C)c1	ZINC000852326549	GH	On-Demand	Anodyne	KCNK9	44	35
COC(=O)Nc1cccc(CNC(=O)NCC(F)(F)c2ccccc2C)c1	ZINC000852326549	GH	On-Demand	Anodyne	PDS	46	35
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)c1	ZINC000852326555	FG	On-Demand	Anodyne	ROCK2	29	42
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)c1	ZINC000852326555	FG	On-Demand	Anodyne	FAAH	18	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)c1	ZINC000852326555	FG	On-Demand	Anodyne	EPHX2	50	41
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)c1	ZINC000852326555	FG	On-Demand	Anodyne	PDS	53	36
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccc(F)cc2)C1	ZINC000852326567	FF	On-Demand	Mild	ABCB1	41	43
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccc(F)cc2)C1	ZINC000852326570	FF	On-Demand	Mild	ABCB1	41	43
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccc(F)cc2)C1	ZINC000852326574	FF	On-Demand	Mild	ABCB1	41	43
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccc(F)cc2)C1	ZINC000852326576	FF	On-Demand	Mild	ABCB1	41	43
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1	ZINC000852326602	FH	On-Demand	Anodyne	ANPEP	15	44
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)Cc2ccc(F)cc2C)c1	ZINC000852326603	FH	On-Demand	Anodyne	ANPEP	15	44
CCOc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326613	FG	On-Demand	Mild	LTA4H	57	46
CCOc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326613	FG	On-Demand	Mild	PSMB2	41	38
CCOc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326613	FG	On-Demand	Mild	PSMB1	44	38
CCOc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326615	FG	On-Demand	Mild	LTA4H	57	46
CCOc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326615	FG	On-Demand	Mild	PSMB2	41	38
CCOc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326615	FG	On-Demand	Mild	PSMB1	44	38
COC(=O)Nc1cccc(CNC(=O)NCc2cc(C)cc(C)c2)c1	ZINC000852326628	EG	On-Demand	Anodyne	ROCK2	31	46
COC(=O)Nc1cccc(CNC(=O)NCc2cc(C)cc(C)c2)c1	ZINC000852326628	EG	On-Demand	Anodyne	KCNK3	69	35
COC(=O)Nc1cccc(CNC(=O)NCc2cc(C)cc(C)c2)c1	ZINC000852326628	EG	On-Demand	Anodyne	KCNK9	58	35
COC(=O)Nc1cccc(CNC(=O)NCc2cc(C)cc(C)c2)c1	ZINC000852326628	EG	On-Demand	Anodyne	PDS	49	35
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@H](CCF)C2)c1	ZINC000852326677	EG	On-Demand	Anodyne	CCR3	57	50
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H](CCF)C2)c1	ZINC000852326679	EG	On-Demand	Anodyne	CCR3	57	50
C=CCCSCCNC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852326730	EF	On-Demand	Mild	ROCK2	21	40
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852326739	GD	On-Demand	Mild	LTA4H	46	42
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852326739	GD	On-Demand	Mild	MEN1	34	45
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852326741	GD	On-Demand	Mild	LTA4H	46	42
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852326741	GD	On-Demand	Mild	MEN1	34	45
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC1CC(OC)C1	ZINC000852326747	DF	On-Demand	Mild	PAPA1_CARPA	41	36
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC1CC(OC)C1	ZINC000852326747	DF	On-Demand	Mild	TIMP3	51	38
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC1CC(OC)C1	ZINC000852326751	DF	On-Demand	Mild	PAPA1_CARPA	41	36
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC1CC(OC)C1	ZINC000852326751	DF	On-Demand	Mild	TIMP3	51	38
CCSC1(CNC(=O)NCc2cccc(NC(=O)OC)c2)CC1	ZINC000852326761	EF	On-Demand	Anodyne	ROCK2	28	43
CCSC1(CNC(=O)NCc2cccc(NC(=O)OC)c2)CC1	ZINC000852326761	EF	On-Demand	Anodyne	PDS	48	34
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852326769	GH	On-Demand	Mild	CTSB	32	40
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852326769	GH	On-Demand	Mild	PAPA1_CARPA	47	44
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852326769	GH	On-Demand	Mild	CTSL	15	44
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852326769	GH	On-Demand	Mild	FPR1	50	39
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852326773	GH	On-Demand	Mild	CTSB	32	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852326773	GH	On-Demand	Mild	PAPA1_CARPA	47	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852326773	GH	On-Demand	Mild	CTSL	15	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852326773	GH	On-Demand	Mild	FPR1	50	39
COC(=O)Nc1cccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)c1	ZINC000852326774	GD	On-Demand	Anodyne	EPHX2	34	40
COC(=O)Nc1cccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)c1	ZINC000852326774	GD	On-Demand	Anodyne	CXCR3	16	46
COC(=O)Nc1cccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1	ZINC000852326776	GD	On-Demand	Anodyne	EPHX2	34	40
COC(=O)Nc1cccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1	ZINC000852326776	GD	On-Demand	Anodyne	CXCR3	16	46
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)O[C@@H](C)C1	ZINC000852326779	DF	On-Demand	Mild	MME	44	37
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)O[C@@H](C)C1	ZINC000852326781	DF	On-Demand	Mild	MME	44	37
COC(=O)Nc1cccc(CNC(=O)NCCOCCF)c1	ZINC000852326789	DD	On-Demand	Anodyne	ROCK2	25	40
COC(=O)Nc1cccc(CNC(=O)NCCC2CC(OC)C2)c1	ZINC000852326791	EE	On-Demand	Anodyne	ROCK2	25	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2C[C@]2(C)OC)c1	ZINC000852326792	DD	On-Demand	Anodyne	ROCK2	24	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2cccc(Cl)c2)C1	ZINC000852326809	FG	On-Demand	Mild	MCHR1	31	41
CCC(C)(C)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852326810	DG	On-Demand	Anodyne	ANPEP	22	45
CCC(C)(C)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852326810	DG	On-Demand	Anodyne	PAPA1_CARPA	40	37
CCC(C)(C)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852326810	DG	On-Demand	Anodyne	ROCK2	27	40
CCC(C)(C)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852326810	DG	On-Demand	Anodyne	FPR1	52	35
CCC(C)(C)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852326810	DG	On-Demand	Anodyne	PDS	65	35
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2cccc(Cl)c2)C1	ZINC000852326813	FG	On-Demand	Mild	MCHR1	31	41
COC(=O)Nc1cccc(CNC(=O)N2CCN(c3ccc(C)cc3C)CC2)c1	ZINC000852326815	GH	On-Demand	Anodyne	HTR1D	26	47
COC(=O)Nc1cccc(CNC(=O)N2CCN(c3ccc(C)cc3C)CC2)c1	ZINC000852326815	GH	On-Demand	Anodyne	HTR1B	33	55
COc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326842	EG	On-Demand	Mild	LTA4H	56	46
COc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326842	EG	On-Demand	Mild	EBP	35	41
COc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326842	EG	On-Demand	Mild	PSMB2	40	38
COc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852326842	EG	On-Demand	Mild	PSMB1	43	37
COc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326843	EG	On-Demand	Mild	LTA4H	56	46
COc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326843	EG	On-Demand	Mild	EBP	35	41
COc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326843	EG	On-Demand	Mild	PSMB2	40	38
COc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852326843	EG	On-Demand	Mild	PSMB1	43	37
CCOc1ccccc1NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852326844	FF	On-Demand	Mild	HCN1	45	34
CCOc1ccccc1NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852326844	FF	On-Demand	Mild	HCN4	41	33
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326846	ED	On-Demand	Mild	OPRM1	23	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326846	ED	On-Demand	Mild	TRY1_BOVIN	46	32
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326846	ED	On-Demand	Mild	PREP	51	36
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326846	ED	On-Demand	Mild	CAPN1	19	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326846	ED	On-Demand	Mild	WNT3	41	31
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326846	ED	On-Demand	Mild	BRCA1	52	32
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326847	ED	On-Demand	Mild	OPRM1	23	41
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326847	ED	On-Demand	Mild	TRY1_BOVIN	46	32
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326847	ED	On-Demand	Mild	PREP	51	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326847	ED	On-Demand	Mild	CAPN1	19	41
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326847	ED	On-Demand	Mild	WNT3	41	31
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1CS(C)(=O)=O	ZINC000852326847	ED	On-Demand	Mild	BRCA1	52	32
CCOc1ccccc1NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852326849	FF	On-Demand	Mild	HCN1	45	34
CCOc1ccccc1NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852326849	FF	On-Demand	Mild	HCN4	41	33
COCc1csc(CNC(=O)NCc2cccc(NC(=O)OC)c2)c1	ZINC000852326905	FG	On-Demand	Anodyne	ROCK2	24	43
COC(=O)Nc1cccc(CNC(=O)NCCCOC(C)(C)C)c1	ZINC000852326906	EF	On-Demand	Anodyne	HRH2	26	41
COC(=O)Nc1cccc(CNC(=O)NCCCOC(C)(C)C)c1	ZINC000852326906	EF	On-Demand	Anodyne	ROCK2	22	40
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)c1	ZINC000852326930	GH	On-Demand	Anodyne	ROCK2	29	43
COC(=O)Nc1cccc(CNC(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)c1	ZINC000852326930	GH	On-Demand	Anodyne	EPHX2	17	43
COC(=O)Nc1cccc(CNC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)c1	ZINC000852326931	GH	On-Demand	Anodyne	ROCK2	29	43
COC(=O)Nc1cccc(CNC(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)c1	ZINC000852326931	GH	On-Demand	Anodyne	EPHX2	17	43
C=CC[C@H]1CCCN(C(=O)NCc2cccc(NC(=O)OC)c2)C1	ZINC000852326933	EG	On-Demand	Mild	CCR3	37	47
C=CC[C@@H]1CCCN(C(=O)NCc2cccc(NC(=O)OC)c2)C1	ZINC000852326934	EG	On-Demand	Mild	CCR3	37	47
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)N2CCOCC2)C1	ZINC000852326940	DC	On-Demand	Mild	CTSS	15	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)N2CCOCC2)C1	ZINC000852326943	DC	On-Demand	Mild	CTSS	15	40
COC(=O)Nc1cccc(CNC(=O)NCCCC2CCC2)c1	ZINC000852326989	DG	On-Demand	Anodyne	CCR3	55	44
COC(=O)Nc1cccc(CNC(=O)NCCCC2CCC2)c1	ZINC000852326989	DG	On-Demand	Anodyne	ROCK2	22	43
COC(=O)Nc1cccc(CNC(=O)NCCCC2CCC2)c1	ZINC000852326989	DG	On-Demand	Anodyne	EPHX2	18	40
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(Br)cc2)C1	ZINC000852326995	GH	On-Demand	Mild	LTA4H	50	47
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(Br)cc2)C1	ZINC000852326995	GH	On-Demand	Mild	PSMB1	42	37
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(Br)cc2)C1	ZINC000852326997	GH	On-Demand	Mild	LTA4H	50	47
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(Br)cc2)C1	ZINC000852326997	GH	On-Demand	Mild	PSMB1	42	37
COC(=O)Nc1cccc(CNC(=O)N2CCO[C@H](CC(F)(F)F)C2)c1	ZINC000852327002	GF	On-Demand	Anodyne	CCR3	15	47
COC(=O)Nc1cccc(CNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)c1	ZINC000852327003	GF	On-Demand	Anodyne	CCR3	15	47
COC(=O)Nc1cccc(CNC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1	ZINC000852327016	GF	On-Demand	Anodyne	FPR1	43	33
COC(=O)Nc1cccc(CNC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1	ZINC000852327017	GF	On-Demand	Anodyne	FPR1	43	33
COC(=O)Nc1cccc(CNC(=O)NCCc2ccc(C)c(C)c2)c1	ZINC000852327021	FH	On-Demand	Anodyne	NQO2	23	42
COC(=O)Nc1cccc(CNC(=O)NCCc2ccc(C)c(C)c2)c1	ZINC000852327021	FH	On-Demand	Anodyne	ROCK2	26	40
CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(NC(=O)OC)c2)C1	ZINC000852327025	DE	On-Demand	Anodyne	TIMP3	69	35
CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(NC(=O)OC)c2)C1	ZINC000852327025	DE	On-Demand	Anodyne	EPHX2	29	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327029	GG	On-Demand	Mild	ACE	18	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327029	GG	On-Demand	Mild	MME	21	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327029	GG	On-Demand	Mild	SIGMAR1	15	43
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327033	GG	On-Demand	Mild	ACE	18	41
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327033	GG	On-Demand	Mild	MME	21	41
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327033	GG	On-Demand	Mild	SIGMAR1	15	43
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852327034	EI	On-Demand	Mild	SIGMAR1	17	46
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852327035	EI	On-Demand	Mild	SIGMAR1	17	46
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327037	GG	On-Demand	Mild	ACE	18	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327037	GG	On-Demand	Mild	MME	21	41
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327037	GG	On-Demand	Mild	SIGMAR1	15	43
COC(=O)Nc1cccc(CNC(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c1	ZINC000852327040	GH	On-Demand	Anodyne	ROCK2	22	42
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327041	GG	On-Demand	Mild	ACE	18	41
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327041	GG	On-Demand	Mild	MME	21	41
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852327041	GG	On-Demand	Mild	SIGMAR1	15	43
COC(=O)Nc1cccc(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c1	ZINC000852327042	GH	On-Demand	Anodyne	ROCK2	22	42
N#C[C@@]1(c2ccccn2)CCCN(C[C@H]2COc3ccccc3O2)C1	ZINC000852327058	EF	On-Demand	Mild	ADRA2B	19	45
N#C[C@@]1(c2ccccn2)CCCN(C[C@H]2COc3ccccc3O2)C1	ZINC000852327058	EF	On-Demand	Mild	ADRA2C	15	41
N#C[C@]1(c2ccccn2)CCCN(C[C@H]2COc3ccccc3O2)C1	ZINC000852327059	EF	On-Demand	Mild	ADRA2B	19	45
N#C[C@]1(c2ccccn2)CCCN(C[C@H]2COc3ccccc3O2)C1	ZINC000852327059	EF	On-Demand	Mild	ADRA2C	15	41
N#C[C@]1(c2ccccn2)CCCN(C[C@@H]2COc3ccccc3O2)C1	ZINC000852327060	EF	On-Demand	Mild	ADRA2B	19	45
N#C[C@]1(c2ccccn2)CCCN(C[C@@H]2COc3ccccc3O2)C1	ZINC000852327060	EF	On-Demand	Mild	ADRA2C	15	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H]2COc3ccccc3O2)C1	ZINC000852327061	EF	On-Demand	Mild	ADRA2B	19	45
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H]2COc3ccccc3O2)C1	ZINC000852327061	EF	On-Demand	Mild	ADRA2C	15	41
N#C[C@@]1(c2ccccn2)CCCN(CCC(=O)Nc2cccc(Cl)c2)C1	ZINC000852327080	FH	On-Demand	Mild	GRM4	27	44
N#C[C@]1(c2ccccn2)CCCN(CCC(=O)Nc2cccc(Cl)c2)C1	ZINC000852327081	FH	On-Demand	Mild	GRM4	27	44
N#C[C@@]1(c2ccccn2)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1	ZINC000852327098	FF	On-Demand	Mild	LTA4H	15	52
N#C[C@]1(c2ccccn2)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1	ZINC000852327099	FF	On-Demand	Mild	LTA4H	15	52
N#C[C@@]1(c2ccccn2)CCCN(CCOCCOc2ccccc2)C1	ZINC000852327110	FG	On-Demand	Mild	LTA4H	37	41
N#C[C@]1(c2ccccn2)CCCN(CCOCCOc2ccccc2)C1	ZINC000852327111	FG	On-Demand	Mild	LTA4H	37	41
N#C[C@]1(c2ccccn2)CCCN(CCCOCCc2ccccc2)C1	ZINC000852327128	EH	On-Demand	Mild	SIGMAR1	25	44
N#C[C@@]1(c2ccccn2)CCCN(CCCOCCc2ccccc2)C1	ZINC000852327129	EH	On-Demand	Mild	SIGMAR1	25	44
C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852327137	FF	On-Demand	Mild	MME	75	41
C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852327137	FF	On-Demand	Mild	ANPEP	47	44
C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852327137	FF	On-Demand	Mild	CTSB	21	40
C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852327137	FF	On-Demand	Mild	PAPA1_CARPA	51	44
C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852327140	FF	On-Demand	Mild	MME	75	41
C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852327140	FF	On-Demand	Mild	ANPEP	47	44
C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852327140	FF	On-Demand	Mild	CTSB	21	40
C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852327140	FF	On-Demand	Mild	PAPA1_CARPA	51	44
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC=C	ZINC000852327148	CE	On-Demand	Mild	MME	54	37
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC=C	ZINC000852327150	CE	On-Demand	Mild	MME	54	37
COC(=O)Nc1cccc(CNC(=O)NC[C@]2(C)CC2(F)F)c1	ZINC000852327178	EF	On-Demand	Anodyne	ROCK2	28	42
COC(=O)Nc1cccc(CNC(=O)NC[C@]2(C)CC2(F)F)c1	ZINC000852327178	EF	On-Demand	Anodyne	PDS	40	31
COC(=O)Nc1cccc(CNC(=O)NC[C@@]2(C)CC2(F)F)c1	ZINC000852327181	EF	On-Demand	Anodyne	ROCK2	28	42
COC(=O)Nc1cccc(CNC(=O)NC[C@@]2(C)CC2(F)F)c1	ZINC000852327181	EF	On-Demand	Anodyne	PDS	40	31
CC[C@H](NC(=O)CON=C(C)c1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1	ZINC000852327222	IK	On-Demand	Mild	TACR3	40	37
CC[C@H](NC(=O)CON=C(C)c1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1	ZINC000852327222	IK	On-Demand	Mild	UTS2	40	31
COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1	ZINC000852327224	FF	On-Demand	Anodyne	CCR3	98	47
COC(=O)Nc1cccc(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)c1	ZINC000852327225	FF	On-Demand	Anodyne	CCR3	98	47
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327228	GE	On-Demand	Mild	MME	40	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327228	GE	On-Demand	Mild	CMA1	44	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327228	GE	On-Demand	Mild	ACE2	59	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327228	GE	On-Demand	Mild	PSMB8	53	38
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327228	GE	On-Demand	Mild	GPR142	42	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327229	GE	On-Demand	Mild	MME	40	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327229	GE	On-Demand	Mild	CMA1	44	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327229	GE	On-Demand	Mild	ACE2	59	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327229	GE	On-Demand	Mild	PSMB8	53	38
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327229	GE	On-Demand	Mild	GPR142	42	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327230	GE	On-Demand	Mild	MME	40	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327230	GE	On-Demand	Mild	CMA1	44	34
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327230	GE	On-Demand	Mild	ACE2	59	35
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327230	GE	On-Demand	Mild	PSMB8	53	38
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327230	GE	On-Demand	Mild	GPR142	42	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327231	GE	On-Demand	Mild	MME	40	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327231	GE	On-Demand	Mild	CMA1	44	34
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327231	GE	On-Demand	Mild	ACE2	59	35
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327231	GE	On-Demand	Mild	PSMB8	53	38
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327231	GE	On-Demand	Mild	GPR142	42	37
CC[C@@H](NC(=O)CON=C(C)c1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1	ZINC000852327233	IK	On-Demand	Mild	TACR3	40	37
CC[C@@H](NC(=O)CON=C(C)c1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1	ZINC000852327233	IK	On-Demand	Mild	UTS2	40	31
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327238	DE	On-Demand	Mild	ACE	29	42
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327238	DE	On-Demand	Mild	DRD4	20	40
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327238	DE	On-Demand	Mild	CHRM3	16	40
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327238	DE	On-Demand	Mild	MME	39	42
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327238	DE	On-Demand	Mild	SIGMAR1	24	42
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327238	DE	On-Demand	Mild	ACE2	40	30
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327238	DE	On-Demand	Mild	BIRC2	41	44
COC(=O)Nc1cccc(CNC(=O)NC2CC(C)(C)C2)c1	ZINC000852327239	DF	On-Demand	Anodyne	ROCK2	25	41
COC(=O)Nc1cccc(CNC(=O)NC2CC(C)(C)C2)c1	ZINC000852327239	DF	On-Demand	Anodyne	EPHX2	26	40
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327240	DE	On-Demand	Mild	ACE	29	42
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327240	DE	On-Demand	Mild	DRD4	20	40
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327240	DE	On-Demand	Mild	CHRM3	16	40
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327240	DE	On-Demand	Mild	MME	39	42
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327240	DE	On-Demand	Mild	SIGMAR1	24	42
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327240	DE	On-Demand	Mild	ACE2	40	30
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327240	DE	On-Demand	Mild	BIRC2	41	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327242	DE	On-Demand	Mild	ACE	29	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327242	DE	On-Demand	Mild	DRD4	20	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327242	DE	On-Demand	Mild	CHRM3	16	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327242	DE	On-Demand	Mild	MME	39	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327242	DE	On-Demand	Mild	SIGMAR1	24	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327242	DE	On-Demand	Mild	ACE2	40	30
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCC)C1	ZINC000852327242	DE	On-Demand	Mild	BIRC2	41	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327243	DE	On-Demand	Mild	ACE	29	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327243	DE	On-Demand	Mild	DRD4	20	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327243	DE	On-Demand	Mild	CHRM3	16	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327243	DE	On-Demand	Mild	MME	39	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327243	DE	On-Demand	Mild	SIGMAR1	24	42
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327243	DE	On-Demand	Mild	ACE2	40	30
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCC)C1	ZINC000852327243	DE	On-Demand	Mild	BIRC2	41	44
COC(=O)Nc1cccc(CNC(=O)NC[C@H](OC)C2CCCC2)c1	ZINC000852327246	EF	On-Demand	Anodyne	ROCK2	21	41
COC(=O)Nc1cccc(CNC(=O)NC[C@@H](OC)C2CCCC2)c1	ZINC000852327247	EF	On-Demand	Anodyne	ROCK2	21	41
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852327261	FF	On-Demand	Mild	DRD4	27	49
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852327264	FF	On-Demand	Mild	DRD4	27	49
COC(=O)Nc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327266	GE	On-Demand	Anodyne	HTR1D	15	40
COC(=O)Nc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327266	GE	On-Demand	Anodyne	HTR1B	16	40
COC(=O)Nc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327266	GE	On-Demand	Anodyne	NPY1R	41	46
COC(=O)Nc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327266	GE	On-Demand	Anodyne	CCKAR	53	49
COC(=O)Nc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327266	GE	On-Demand	Anodyne	PYGL	34	45
COC(=O)Nc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327266	GE	On-Demand	Anodyne	PYGM	29	45
COC(=O)Nc1cccc(CNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327266	GE	On-Demand	Anodyne	CCKBR	78	42
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327268	GE	On-Demand	Anodyne	HTR1D	15	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327268	GE	On-Demand	Anodyne	HTR1B	16	40
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327268	GE	On-Demand	Anodyne	NPY1R	41	46
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327268	GE	On-Demand	Anodyne	CCKAR	53	49
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327268	GE	On-Demand	Anodyne	PYGL	34	45
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327268	GE	On-Demand	Anodyne	PYGM	29	45
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)c1	ZINC000852327268	GE	On-Demand	Anodyne	CCKBR	78	42
COC(=O)Nc1cccc(CNC(=O)NCc2c(C3CC3)cnn2C)c1	ZINC000852327343	FE	On-Demand	Anodyne	CCKBR	15	40
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852327385	DG	On-Demand	Mild	Q8WSF8_APLCA	41	38
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852327385	DG	On-Demand	Mild	NACHRBETA2	43	38
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC=C)C1	ZINC000852327447	DH	On-Demand	Mild	REN	43	39
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC=C)C1	ZINC000852327447	DH	On-Demand	Mild	PGA5	43	32
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC=C)C1	ZINC000852327449	DH	On-Demand	Mild	REN	43	39
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC=C)C1	ZINC000852327449	DH	On-Demand	Mild	PGA5	43	32
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC=C)C1	ZINC000852327450	DH	On-Demand	Mild	REN	43	39
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC=C)C1	ZINC000852327450	DH	On-Demand	Mild	PGA5	43	32
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC=C)C1	ZINC000852327451	DH	On-Demand	Mild	REN	43	39
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC=C)C1	ZINC000852327451	DH	On-Demand	Mild	PGA5	43	32
CCC(CC)CCCN(C)C(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852327503	EI	On-Demand	Anodyne	PDS	48	34
C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852327526	GF	On-Demand	Mild	TACR2	40	38
C#CC[C@H](Cc1ccccc1)NC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852327528	GF	On-Demand	Mild	TACR2	40	38
COC(=O)Nc1cccc(CNC(=O)NCCc2cnccc2C)c1	ZINC000852327602	EF	On-Demand	Anodyne	NQO2	25	44
COC(=O)Nc1cccc(CNC(=O)NCCc2cnccc2C)c1	ZINC000852327602	EF	On-Demand	Anodyne	MTNR1A	16	44
COC(=O)Nc1cccc(CNC(=O)NCCc2cnccc2C)c1	ZINC000852327602	EF	On-Demand	Anodyne	ROCK2	36	46
COC(=O)Nc1cccc(CNC(=O)NCCc2cnccc2C)c1	ZINC000852327602	EF	On-Demand	Anodyne	NAMPT	39	43
COC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCNC2=O)c1	ZINC000852327607	DC	On-Demand	Anodyne	ROCK2	26	40
COC(=O)Nc1cccc(CNC(=O)N[C@H]2CCNC2=O)c1	ZINC000852327608	DC	On-Demand	Anodyne	ROCK2	26	40
COC(=O)c1ccc(CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852327621	EF	On-Demand	Mild	NPFFR1	33	44
COC(=O)c1ccc(CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852327622	EF	On-Demand	Mild	NPFFR1	33	44
C=CCCNC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852327631	CE	On-Demand	Mild	ROCK2	28	44
COC(=O)Nc1cccc(CNC(=O)N2CCc3c(cccc3C(N)=O)C2)c1	ZINC000852327634	GE	On-Demand	Anodyne	P2RY14	46	35
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3c(c2)OCCCO3)C1	ZINC000852327648	GF	On-Demand	Mild	IMDH_CRYPV	17	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3c(c2)OCCCO3)C1	ZINC000852327649	GF	On-Demand	Mild	IMDH_CRYPV	17	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1	ZINC000852327666	FG	On-Demand	Mild	BDKRB1	50	38
N#C[C@]1(c2ccccn2)CCCN(CC(=O)N[C@H]2CCCc3ccccc32)C1	ZINC000852327667	FG	On-Demand	Mild	BDKRB1	50	38
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1	ZINC000852327668	FG	On-Demand	Mild	BDKRB1	50	38
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)N[C@H]2CCCc3ccccc32)C1	ZINC000852327669	FG	On-Demand	Mild	BDKRB1	50	38
COC(=O)Nc1cccc(CNC(=O)NCCO[C@@H]2CC2(F)F)c1	ZINC000852327737	EE	On-Demand	Anodyne	EPHX2	17	40
COC(=O)Nc1cccc(CNC(=O)NCCO[C@H]2CC2(F)F)c1	ZINC000852327738	EE	On-Demand	Anodyne	EPHX2	17	40
COC(=O)Nc1cccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852327744	GF	On-Demand	Anodyne	NQO2	25	47
COC(=O)Nc1cccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852327744	GF	On-Demand	Anodyne	MTNR1A	30	47
COC(=O)Nc1cccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852327744	GF	On-Demand	Anodyne	MTNR1B	34	47
COC(=O)Nc1cccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852327744	GF	On-Demand	Anodyne	ROCK2	32	47
COC(=O)Nc1cccc(CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852327744	GF	On-Demand	Anodyne	PDS	58	35
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(F)c(F)c2)C1	ZINC000852327796	DG	On-Demand	Mild	ABCC1	46	35
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(F)c(F)c2)C1	ZINC000852327797	DG	On-Demand	Mild	ABCC1	46	35
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852327798	DF	On-Demand	Mild	ACE	26	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852327798	DF	On-Demand	Mild	MME	23	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852327798	DF	On-Demand	Mild	CTSS	21	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852327800	DF	On-Demand	Mild	ACE	26	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852327800	DF	On-Demand	Mild	MME	23	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852327800	DF	On-Demand	Mild	CTSS	21	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852327801	DF	On-Demand	Mild	ACE	26	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852327801	DF	On-Demand	Mild	MME	23	40
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852327801	DF	On-Demand	Mild	CTSS	21	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852327803	DF	On-Demand	Mild	ACE	26	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852327803	DF	On-Demand	Mild	MME	23	40
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852327803	DF	On-Demand	Mild	CTSS	21	40
COC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)c1	ZINC000852327804	FD	On-Demand	Anodyne	CCR3	20	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000852327806	GD	On-Demand	Mild	CA2	15	45
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000852327806	GD	On-Demand	Mild	CA4	16	43
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000852327806	GD	On-Demand	Mild	TTK	20	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000852327808	GD	On-Demand	Mild	CA2	15	45
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000852327808	GD	On-Demand	Mild	CA4	16	43
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1	ZINC000852327808	GD	On-Demand	Mild	TTK	20	40
C=CCOCCCNC(=O)NCc1cccc(NC(=O)OC)c1	ZINC000852327823	DE	On-Demand	Mild	ROCK2	22	41
COC(=O)Nc1cccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852327833	GF	On-Demand	Anodyne	ROCK2	34	42
COC(=O)Nc1cccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852327833	GF	On-Demand	Anodyne	CARM1	40	35
COC(=O)Nc1cccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852327833	GF	On-Demand	Anodyne	PDS	52	36
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000852327879	GH	On-Demand	Mild	ACOX1	75	36
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000852327879	GH	On-Demand	Mild	ABCB1	35	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000852327881	GH	On-Demand	Mild	ACOX1	75	36
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000852327881	GH	On-Demand	Mild	ABCB1	35	41
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000852327882	GH	On-Demand	Mild	ACOX1	75	36
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000852327882	GH	On-Demand	Mild	ABCB1	35	41
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000852327884	GH	On-Demand	Mild	ACOX1	75	36
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000852327884	GH	On-Demand	Mild	ABCB1	35	41
N#C[C@@]1(c2ccccn2)CCCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1	ZINC000852327931	GH	On-Demand	Mild	HTR7	15	54
N#C[C@@]1(c2ccccn2)CCCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1	ZINC000852327933	GH	On-Demand	Mild	HTR7	15	54
N#C[C@]1(c2ccccn2)CCCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1	ZINC000852327934	GH	On-Demand	Mild	HTR7	15	54
N#C[C@]1(c2ccccn2)CCCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1	ZINC000852327936	GH	On-Demand	Mild	HTR7	15	54
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(F)cc2)C1	ZINC000852327972	CG	On-Demand	Mild	SIGMAR1	17	42
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(F)cc2)C1	ZINC000852327973	CG	On-Demand	Mild	SIGMAR1	17	42
N#C[C@@]1(c2ccccn2)CCCN(CCOc2cccc(F)c2)C1	ZINC000852327996	EG	On-Demand	Mild	LTA4H	30	41
N#C[C@]1(c2ccccn2)CCCN(CCOc2cccc(F)c2)C1	ZINC000852327997	EG	On-Demand	Mild	LTA4H	30	41
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000852328033	GD	On-Demand	Mild	CCR8	26	43
CCOC(=O)N1CCC(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000852328034	GD	On-Demand	Mild	CCR8	26	43
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)cc2)C1	ZINC000852328043	EH	On-Demand	Mild	LTA4H	51	47
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)cc2)C1	ZINC000852328043	EH	On-Demand	Mild	HRH3	23	40
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)cc2)C1	ZINC000852328043	EH	On-Demand	Mild	EBP	16	40
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)cc2)C1	ZINC000852328043	EH	On-Demand	Mild	PSMB1	42	37
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)cc2)C1	ZINC000852328044	EH	On-Demand	Mild	LTA4H	51	47
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)cc2)C1	ZINC000852328044	EH	On-Demand	Mild	HRH3	23	40
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)cc2)C1	ZINC000852328044	EH	On-Demand	Mild	EBP	16	40
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)cc2)C1	ZINC000852328044	EH	On-Demand	Mild	PSMB1	42	37
C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852328058	FH	On-Demand	Mild	GRM4	21	42
C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852328061	FH	On-Demand	Mild	GRM4	21	42
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C	ZINC000852328072	FF	On-Demand	Mild	CMA1	48	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C	ZINC000852328073	FF	On-Demand	Mild	CMA1	48	36
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C(F)(F)F)[C@@H]1C	ZINC000852328074	FF	On-Demand	Mild	CMA1	48	36
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852328080	FF	On-Demand	Mild	ACE	52	39
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852328080	FF	On-Demand	Mild	PYGL	33	44
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852328080	FF	On-Demand	Mild	PYGM	29	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852328082	FF	On-Demand	Mild	ACE	52	39
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852328082	FF	On-Demand	Mild	PYGL	33	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852328082	FF	On-Demand	Mild	PYGM	29	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852328084	FF	On-Demand	Mild	ACE	52	39
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852328084	FF	On-Demand	Mild	PYGL	33	44
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852328084	FF	On-Demand	Mild	PYGM	29	44
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852328086	FF	On-Demand	Mild	ACE	52	39
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852328086	FF	On-Demand	Mild	PYGL	33	44
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852328086	FF	On-Demand	Mild	PYGM	29	44
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccccc2)C1	ZINC000852328160	DG	On-Demand	Mild	LTA4H	35	40
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccccc2)C1	ZINC000852328160	DG	On-Demand	Mild	HRH3	60	44
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccccc2)C1	ZINC000852328160	DG	On-Demand	Mild	HNMT	41	36
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccccc2)C1	ZINC000852328160	DG	On-Demand	Mild	MEN1	48	41
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccccc2)C1	ZINC000852328161	DG	On-Demand	Mild	LTA4H	35	40
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccccc2)C1	ZINC000852328161	DG	On-Demand	Mild	HRH3	60	44
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccccc2)C1	ZINC000852328161	DG	On-Demand	Mild	HNMT	41	36
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccccc2)C1	ZINC000852328161	DG	On-Demand	Mild	MEN1	48	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccccc2Cl)C1	ZINC000852328162	FG	On-Demand	Mild	ABCB1	49	41
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccccc2Cl)C1	ZINC000852328163	FG	On-Demand	Mild	ABCB1	49	41
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccccc2Cl)C1	ZINC000852328164	FG	On-Demand	Mild	ABCB1	49	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccccc2Cl)C1	ZINC000852328193	FG	On-Demand	Mild	ABCB1	49	41
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)cc2)C1	ZINC000852328309	FG	On-Demand	Mild	IMDH_CRYPV	29	44
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)cc2)C1	ZINC000852328310	FG	On-Demand	Mild	IMDH_CRYPV	29	44
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852328358	GI	On-Demand	Mild	LTA4H	43	50
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852328358	GI	On-Demand	Mild	PSMB1	41	39
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852328358	GI	On-Demand	Mild	MEN1	43	36
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852328359	GI	On-Demand	Mild	LTA4H	43	50
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852328359	GI	On-Demand	Mild	PSMB1	41	39
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852328359	GI	On-Demand	Mild	MEN1	43	36
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000852328554	GD	On-Demand	Mild	P2RY12	49	36
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000852328555	GD	On-Demand	Mild	P2RY12	49	36
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000852328556	GD	On-Demand	Mild	P2RY12	49	36
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000852328557	GD	On-Demand	Mild	P2RY12	49	36
Cc1ccccc1CCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852328560	DH	On-Demand	Mild	EBP	26	41
Cc1ccccc1CCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852328561	DH	On-Demand	Mild	EBP	26	41
CC(=O)NCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852328567	CD	On-Demand	Mild	ADRA1D	19	42
CC(=O)NCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852328567	CD	On-Demand	Mild	ADRA1A	36	45
CC(=O)NCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852328567	CD	On-Demand	Mild	ADRA1B	18	48
CC(=O)NCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852328568	CD	On-Demand	Mild	ADRA1D	19	42
CC(=O)NCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852328568	CD	On-Demand	Mild	ADRA1A	36	45
CC(=O)NCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852328568	CD	On-Demand	Mild	ADRA1B	18	48
CC(=O)Nc1cccc(CN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852328575	EG	On-Demand	Mild	CCR3	16	41
CC(=O)Nc1cccc(CN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852328576	EG	On-Demand	Mild	CCR3	16	41
CSc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852328608	FH	On-Demand	Mild	LTA4H	47	43
CSc1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852328608	FH	On-Demand	Mild	PSMB1	41	35
CSc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852328609	FH	On-Demand	Mild	LTA4H	47	43
CSc1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852328609	FH	On-Demand	Mild	PSMB1	41	35
N#Cc1cccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852328643	EF	On-Demand	Mild	LTA4H	33	41
N#Cc1cccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852328643	EF	On-Demand	Mild	CHRNA10	20	42
N#Cc1cccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852328644	EF	On-Demand	Mild	LTA4H	33	41
N#Cc1cccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852328644	EF	On-Demand	Mild	CHRNA10	20	42
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCc2cccnc2)C1	ZINC000852328729	ED	On-Demand	Mild	NAMPT	49	39
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCc2cccnc2)C1	ZINC000852328730	ED	On-Demand	Mild	NAMPT	49	39
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852328745	EF	On-Demand	Mild	SLC12A5	67	38
N#C[C@]1(c2ccccn2)CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852328746	EF	On-Demand	Mild	SLC12A5	67	38
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852328747	FF	On-Demand	Mild	LTA4H	44	53
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852328748	FF	On-Demand	Mild	LTA4H	44	53
CS(=O)(=O)c1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852328789	GE	On-Demand	Mild	LTA4H	42	42
CS(=O)(=O)c1ccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852328789	GE	On-Demand	Mild	PSMB1	40	34
CS(=O)(=O)c1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852328790	GE	On-Demand	Mild	LTA4H	42	42
CS(=O)(=O)c1ccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852328790	GE	On-Demand	Mild	PSMB1	40	34
CS(=O)(=O)c1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852328848	GF	On-Demand	Mild	HRH3	62	37
CS(=O)(=O)c1ccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852328848	GF	On-Demand	Mild	MEN1	46	41
CS(=O)(=O)c1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852328849	GF	On-Demand	Mild	HRH3	62	37
CS(=O)(=O)c1ccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852328849	GF	On-Demand	Mild	MEN1	46	41
N#Cc1ncn(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	ZINC000852328877	FC	On-Demand	Mild	CTSK	24	40
N#C[C@@]1(c2ccccn2)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000852329002	EG	On-Demand	Mild	ABCC1	29	45
N#C[C@@]1(c2ccccn2)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000852329002	EG	On-Demand	Mild	KCNJ1	34	48
N#C[C@]1(c2ccccn2)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000852329003	EG	On-Demand	Mild	ABCC1	29	45
N#C[C@]1(c2ccccn2)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000852329003	EG	On-Demand	Mild	KCNJ1	34	48
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852329012	FG	On-Demand	Mild	HRH3	39	47
N#C[C@]1(c2ccccn2)CCCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852329013	FG	On-Demand	Mild	HRH3	39	47
N#C[C@@]1(c2ccccn2)CCCN(CCNS(=O)(=O)c2ccccc2)C1	ZINC000852329108	FD	On-Demand	Mild	HTR7	20	46
N#C[C@]1(c2ccccn2)CCCN(CCNS(=O)(=O)c2ccccc2)C1	ZINC000852329109	FD	On-Demand	Mild	HTR7	20	46
COc1cccc(OC)c1OC[C@@H](O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852329114	GE	On-Demand	Mild	ABCB1	50	40
COc1cccc(OC)c1OC[C@@H](O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852329115	GE	On-Demand	Mild	ABCB1	50	40
COc1cccc(OC)c1OC[C@H](O)CN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852329116	GE	On-Demand	Mild	ABCB1	50	40
COc1cccc(OC)c1OC[C@H](O)CN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852329117	GE	On-Demand	Mild	ABCB1	50	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1	ZINC000852329144	GF	On-Demand	Mild	HRH2	35	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1	ZINC000852329144	GF	On-Demand	Mild	AVPR1B	44	39
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1	ZINC000852329145	GF	On-Demand	Mild	HRH2	35	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1	ZINC000852329145	GF	On-Demand	Mild	AVPR1B	44	39
CC(C)(C)OC(=O)NCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852329169	EE	On-Demand	Mild	ADRA1A	17	51
CC(C)(C)OC(=O)NCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852329170	EE	On-Demand	Mild	ADRA1A	17	51
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329185	GF	On-Demand	Mild	ADRB1	17	44
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329185	GF	On-Demand	Mild	HTR1A	15	49
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329185	GF	On-Demand	Mild	SLC6A4	16	42
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329186	GF	On-Demand	Mild	ADRB1	17	44
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329186	GF	On-Demand	Mild	HTR1A	15	49
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329186	GF	On-Demand	Mild	SLC6A4	16	42
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329187	GF	On-Demand	Mild	ADRB1	17	44
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329187	GF	On-Demand	Mild	HTR1A	15	49
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329187	GF	On-Demand	Mild	SLC6A4	16	42
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329188	GF	On-Demand	Mild	ADRB1	17	44
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329188	GF	On-Demand	Mild	HTR1A	15	49
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852329188	GF	On-Demand	Mild	SLC6A4	16	42
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC[C@](C#N)(c3ccccn3)C2)C1	ZINC000852329233	FG	On-Demand	Mild	GPR119	35	43
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC[C@](C#N)(c3ccccn3)C2)C1	ZINC000852329234	FG	On-Demand	Mild	GPR119	35	43
CC(C)(C)OC(=O)N1CC[C@H](CN2CCC[C@@](C#N)(c3ccccn3)C2)C1	ZINC000852329235	FG	On-Demand	Mild	GPR119	35	43
CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC[C@@](C#N)(c3ccccn3)C2)C1	ZINC000852329236	FG	On-Demand	Mild	GPR119	35	43
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2cccc(Cl)c2)C1	ZINC000852329313	FI	On-Demand	Mild	HRH3	43	45
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2cccc(Cl)c2)C1	ZINC000852329313	FI	On-Demand	Mild	HNMT	41	35
N#C[C@@]1(c2ccccn2)CCCN(CCCOc2cccc(Cl)c2)C1	ZINC000852329313	FI	On-Demand	Mild	MEN1	45	40
N#C[C@]1(c2ccccn2)CCCN(CCCOc2cccc(Cl)c2)C1	ZINC000852329314	FI	On-Demand	Mild	HRH3	43	45
N#C[C@]1(c2ccccn2)CCCN(CCCOc2cccc(Cl)c2)C1	ZINC000852329314	FI	On-Demand	Mild	HNMT	41	35
N#C[C@]1(c2ccccn2)CCCN(CCCOc2cccc(Cl)c2)C1	ZINC000852329314	FI	On-Demand	Mild	MEN1	45	40
CC(C)(C)OC(=O)N1CCC(CN2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000852329393	GH	On-Demand	Mild	GPR119	41	46
CC(C)(C)OC(=O)N1CCC(CN2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000852329394	GH	On-Demand	Mild	GPR119	41	46
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA2	44	48
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA1	42	48
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA7	21	48
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA5B	31	48
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA4	37	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA5A	36	48
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA14	15	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA12	36	43
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	CA9	38	41
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	MTCA1	40	39
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329425	GD	On-Demand	Mild	P96878_MYCTU	50	39
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA2	44	48
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA1	42	48
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA7	21	48
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA5B	31	48
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA4	37	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA5A	36	48
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA14	15	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA12	36	43
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	CA9	38	41
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	MTCA1	40	39
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852329426	GD	On-Demand	Mild	P96878_MYCTU	50	39
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1	ZINC000852329466	GG	On-Demand	Mild	PRNP	44	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1	ZINC000852329467	GG	On-Demand	Mild	PRNP	44	40
N#C[C@@]1(c2ccccn2)CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852329566	FF	On-Demand	Mild	HSD17B3	28	48
N#C[C@]1(c2ccccn2)CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852329567	FF	On-Demand	Mild	HSD17B3	28	48
N#Cc1ccc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852329573	EE	On-Demand	Mild	IMDH_CRYPV	20	41
N#Cc1ccc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852329574	EE	On-Demand	Mild	IMDH_CRYPV	20	41
C=CC[C@H]1CCCN(C(=O)NCC2CCN(C(=O)OC)CC2)C1	ZINC000852329575	DE	On-Demand	Mild	CACNA1I	40	31
C=CC[C@@H]1CCCN(C(=O)NCC2CCN(C(=O)OC)CC2)C1	ZINC000852329576	DE	On-Demand	Mild	CACNA1I	40	31
CC(=O)c1ccc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852329643	FF	On-Demand	Mild	PRNP	56	36
CC(=O)c1ccc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852329644	FF	On-Demand	Mild	PRNP	56	36
CCC(C)(C)[C@@H](C)NC(=O)NCC1CCN(C(=O)OC)CC1	ZINC000852329711	DF	On-Demand	Anodyne	CACNA1I	49	35
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329729	FG	On-Demand	Mild	CACNA1H	41	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329729	FG	On-Demand	Mild	GRM4	43	35
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329729	FG	On-Demand	Mild	ERBB4	42	36
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329729	FG	On-Demand	Mild	MCHR1	38	44
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329729	FG	On-Demand	Mild	IMDH_CRYPV	30	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329730	FG	On-Demand	Mild	CACNA1H	41	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329730	FG	On-Demand	Mild	GRM4	43	35
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329730	FG	On-Demand	Mild	ERBB4	42	36
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329730	FG	On-Demand	Mild	MCHR1	38	44
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(Cl)c2)C1	ZINC000852329730	FG	On-Demand	Mild	IMDH_CRYPV	30	40
COc1ccc(NC(=O)[C@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1OC	ZINC000852329737	GF	On-Demand	Mild	ENPP1	62	35
COc1ccc(NC(=O)[C@H](C)N2CCC[C@](C#N)(c3ccccn3)C2)cc1OC	ZINC000852329738	GF	On-Demand	Mild	ENPP1	62	35
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NC(=O)NC2CCCC2)C1	ZINC000852329749	FD	On-Demand	Mild	EPHX2	15	42
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NC(=O)NC2CCCC2)C1	ZINC000852329750	FD	On-Demand	Mild	EPHX2	15	42
N#Cc1cccc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852329771	EE	On-Demand	Mild	MCHR1	35	40
N#Cc1cccc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852329772	EE	On-Demand	Mild	MCHR1	35	40
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1	ZINC000852329785	GH	On-Demand	Mild	TRPV1	18	43
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1	ZINC000852329785	GH	On-Demand	Mild	EPHX2	27	41
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1	ZINC000852329786	GH	On-Demand	Mild	TRPV1	18	43
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1	ZINC000852329786	GH	On-Demand	Mild	EPHX2	27	41
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccccc2Cl)C1	ZINC000852329790	FG	On-Demand	Mild	EPHB3	42	33
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccccc2Cl)C1	ZINC000852329791	FG	On-Demand	Mild	EPHB3	42	33
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3c(s2)CCCC3)C1	ZINC000852329854	GF	On-Demand	Mild	SLC27A1	59	61
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3c(s2)CCCC3)C1	ZINC000852329855	GF	On-Demand	Mild	SLC27A1	59	61
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc3c(c2)OCO3)C1	ZINC000852329856	GD	On-Demand	Mild	NOS2	101	38
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc3c(c2)OCO3)C1	ZINC000852329857	GD	On-Demand	Mild	NOS2	101	38
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1	ZINC000852329862	GH	On-Demand	Mild	GRM4	44	36
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1	ZINC000852329862	GH	On-Demand	Mild	MCHR1	15	41
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1	ZINC000852329862	GH	On-Demand	Mild	IMDH_CRYPV	35	46
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1	ZINC000852329863	GH	On-Demand	Mild	GRM4	44	36
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1	ZINC000852329863	GH	On-Demand	Mild	MCHR1	15	41
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1	ZINC000852329863	GH	On-Demand	Mild	IMDH_CRYPV	35	46
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1	ZINC000852329920	FF	On-Demand	Mild	MCHR1	18	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1	ZINC000852329921	FF	On-Demand	Mild	MCHR1	18	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2cccnc2Cl)C1	ZINC000852329924	FF	On-Demand	Mild	G2YM83_BOTF4	44	31
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2cccnc2Cl)C1	ZINC000852329926	FF	On-Demand	Mild	G2YM83_BOTF4	44	31
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000852329928	GG	On-Demand	Mild	IMDH_CRYPV	20	41
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000852329930	GG	On-Demand	Mild	IMDH_CRYPV	20	41
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3ccccc3c2)C1	ZINC000852329973	FH	On-Demand	Mild	IMDH_CRYPV	22	46
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc3ccccc3c2)C1	ZINC000852329975	FH	On-Demand	Mild	IMDH_CRYPV	22	46
C[C@@H]1CC[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852330004	EH	On-Demand	Anodyne	CCKAR	15	44
C[C@H]1CC[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852330006	EH	On-Demand	Anodyne	CCKAR	15	44
C[C@H]1CC[C@@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852330008	EH	On-Demand	Anodyne	CCKAR	15	44
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(CN3CCCCC3)cc2)C1	ZINC000852330010	FI	On-Demand	Mild	HRH3	19	41
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(CN3CCCCC3)cc2)C1	ZINC000852330010	FI	On-Demand	Mild	SIGMAR1	16	46
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(CN3CCCCC3)cc2)C1	ZINC000852330012	FI	On-Demand	Mild	HRH3	19	41
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(CN3CCCCC3)cc2)C1	ZINC000852330012	FI	On-Demand	Mild	SIGMAR1	16	46
CCN1CCC(NC(=O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)CC1	ZINC000852330020	GE	On-Demand	Anodyne	NPY5R	17	47
CCCOc1cccc(CNC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852330043	GG	On-Demand	Mild	HRH2	40	41
CCCOc1cccc(CNC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852330044	GG	On-Demand	Mild	HRH2	40	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H]3C)C2)cc1	ZINC000852330053	DE	On-Demand	Clean	EPHX2	16	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]3C)C2)cc1	ZINC000852330055	DE	On-Demand	Clean	EPHX2	16	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@H]3C)C2)cc1	ZINC000852330057	DE	On-Demand	Clean	EPHX2	16	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC[C@@H]3C)C2)cc1	ZINC000852330059	DE	On-Demand	Clean	EPHX2	16	43
C[C@@H]1CCN(C(=O)NCC2(c3ccccn3)CCC2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852330061	GF	On-Demand	Anodyne	SLC6A9	15	41
N#Cc1ccc(NC(=O)CCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1Cl	ZINC000852330077	GG	On-Demand	Mild	GRM4	41	36
N#Cc1ccc(NC(=O)CCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1Cl	ZINC000852330077	GG	On-Demand	Mild	IMDH_CRYPV	17	45
N#Cc1ccc(NC(=O)CCN2CCC[C@](C#N)(c3ccccn3)C2)cc1Cl	ZINC000852330078	GG	On-Demand	Mild	GRM4	41	36
N#Cc1ccc(NC(=O)CCN2CCC[C@](C#N)(c3ccccn3)C2)cc1Cl	ZINC000852330078	GG	On-Demand	Mild	IMDH_CRYPV	17	45
C[C@H]1CC[C@@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852330103	GG	On-Demand	Anodyne	EPHX2	26	45
C[C@@H]1CC[C@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852330104	GG	On-Demand	Anodyne	EPHX2	26	45
C[C@H]1CC[C@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852330105	GG	On-Demand	Anodyne	EPHX2	26	45
N#Cc1ccc(NC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1Cl	ZINC000852330229	GG	On-Demand	Mild	IMDH_CRYPV	26	45
N#Cc1ccc(NC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1Cl	ZINC000852330230	GG	On-Demand	Mild	IMDH_CRYPV	26	45
COCc1csc(CNC(=O)NCC2CCN(C(=O)OC)CC2)c1	ZINC000852330237	FE	On-Demand	Anodyne	CACNA1I	49	36
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Br)cc2)C1	ZINC000852330276	GG	On-Demand	Mild	IMDH_CRYPV	22	40
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Br)cc2)C1	ZINC000852330278	GG	On-Demand	Mild	IMDH_CRYPV	22	40
CCO[C@@H]1C[C@@H](NC(=O)NCC2CCN(C(=O)OC)CC2)C1	ZINC000852330295	DD	On-Demand	Anodyne	EPHX2	21	43
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccccc3s2)C1	ZINC000852330305	GG	On-Demand	Mild	CSNK1D	25	43
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccccc3s2)C1	ZINC000852330305	GG	On-Demand	Mild	SLC27A1	32	49
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccccc3s2)C1	ZINC000852330308	GG	On-Demand	Mild	CSNK1D	25	43
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccccc3s2)C1	ZINC000852330308	GG	On-Demand	Mild	SLC27A1	32	49
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccc(F)cc1)C2)C(F)(F)F	ZINC000852330344	GG	On-Demand	Anodyne	ACOX1	56	40
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccc(F)cc1)C2)C(F)(F)F	ZINC000852330344	GG	On-Demand	Anodyne	ABCB1	40	45
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccc(F)cc1)C2)C(F)(F)F	ZINC000852330346	GG	On-Demand	Anodyne	ACOX1	56	40
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccc(F)cc1)C2)C(F)(F)F	ZINC000852330346	GG	On-Demand	Anodyne	ABCB1	40	45
Cc1ccccc1CNC(=O)CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852330353	GG	On-Demand	Anodyne	MTTP	45	37
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)CCc2ccccc2)C1	ZINC000852330380	EF	On-Demand	Mild	ABCB1	22	40
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)CCc2ccccc2)C1	ZINC000852330382	EF	On-Demand	Mild	ABCB1	22	40
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)CCc2ccccc2)C1	ZINC000852330384	EF	On-Demand	Mild	ABCB1	22	40
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)CCc2ccccc2)C1	ZINC000852330386	EF	On-Demand	Mild	ABCB1	22	40
N#C[C@@]1(c2ccccn2)CCCN(CCCc2ccncc2)C1	ZINC000852330403	DF	On-Demand	Mild	SIGMAR1	24	47
N#C[C@]1(c2ccccn2)CCCN(CCCc2ccncc2)C1	ZINC000852330406	DF	On-Demand	Mild	SIGMAR1	24	47
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)N1CCc2ccccc21	ZINC000852330445	GG	On-Demand	Anodyne	AVPR2	54	38
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)N1CCc2ccccc21	ZINC000852330445	GG	On-Demand	Anodyne	NOD2	41	39
COc1ccc2c(CN3CCC[C@](C#N)(c4ccccn4)C3)cc(=O)oc2c1	ZINC000852330594	GG	On-Demand	Mild	CYP19A1	15	47
COc1ccc2c(CN3CCC[C@](C#N)(c4ccccn4)C3)cc(=O)oc2c1	ZINC000852330594	GG	On-Demand	Mild	CYP11B1	18	44
COc1ccc2c(CN3CCC[C@](C#N)(c4ccccn4)C3)cc(=O)oc2c1	ZINC000852330594	GG	On-Demand	Mild	MAOB	23	40
COc1ccc2c(CN3CCC[C@@](C#N)(c4ccccn4)C3)cc(=O)oc2c1	ZINC000852330597	GG	On-Demand	Mild	CYP19A1	15	47
COc1ccc2c(CN3CCC[C@@](C#N)(c4ccccn4)C3)cc(=O)oc2c1	ZINC000852330597	GG	On-Demand	Mild	CYP11B1	18	44
COc1ccc2c(CN3CCC[C@@](C#N)(c4ccccn4)C3)cc(=O)oc2c1	ZINC000852330597	GG	On-Demand	Mild	MAOB	23	40
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NC1CCCCCC1	ZINC000852330617	GG	On-Demand	Anodyne	EPHX2	32	41
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1)C2)C(F)(F)F	ZINC000852330647	GF	On-Demand	Anodyne	ADRB1	36	41
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1)C2)C(F)(F)F	ZINC000852330647	GF	On-Demand	Anodyne	ADRB3	25	41
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1)C2)C(F)(F)F	ZINC000852330647	GF	On-Demand	Anodyne	ACOX1	56	40
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1)C2)C(F)(F)F	ZINC000852330647	GF	On-Demand	Anodyne	ABCB1	63	40
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1)C2)C(F)(F)F	ZINC000852330649	GF	On-Demand	Anodyne	ADRB1	36	41
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1)C2)C(F)(F)F	ZINC000852330649	GF	On-Demand	Anodyne	ADRB3	25	41
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1)C2)C(F)(F)F	ZINC000852330649	GF	On-Demand	Anodyne	ACOX1	56	40
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1)C2)C(F)(F)F	ZINC000852330649	GF	On-Demand	Anodyne	ABCB1	63	40
CS(=O)(=O)C1(CNC(=O)NC[C@@H](O)c2cccc3ccccc23)CCCC1	ZINC000852330677	GF	On-Demand	Anodyne	ADRB2	40	34
CS(=O)(=O)C1(CNC(=O)NC[C@H](O)c2cccc3ccccc23)CCCC1	ZINC000852330681	GF	On-Demand	Anodyne	ADRB2	40	34
COC(=O)c1ccc(CNC(=O)NCC2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852330708	GD	On-Demand	Anodyne	BDKRB1	27	43
COC(=O)c1ccc(CNC(=O)NCC2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852330708	GD	On-Demand	Anodyne	EPHX2	24	48
COC(=O)c1ccc(CNC(=O)NCC2CCN(C(=O)OC)CC2)c(F)c1	ZINC000852330708	GD	On-Demand	Anodyne	CACNA1I	59	37
CC(=O)c1ccccc1OCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852330715	GH	On-Demand	Anodyne	KCNK3	52	39
CC(=O)c1ccccc1OCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852330715	GH	On-Demand	Anodyne	KCNK9	50	39
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NCC1CCCCC1	ZINC000852330777	GG	On-Demand	Anodyne	CACNA1I	41	32
N#C[C@@]1(c2ccccn2)CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852330879	EF	On-Demand	Mild	SLC12A5	56	35
C[C@H](C(=O)Nc1nccs1)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852330880	EE	On-Demand	Mild	MAP1	88	33
C[C@H](C(=O)Nc1nccs1)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852330881	EE	On-Demand	Mild	MAP1	88	33
C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852330882	EE	On-Demand	Mild	MAP1	88	33
C[C@@H](C(=O)Nc1nccs1)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852330883	EE	On-Demand	Mild	MAP1	88	33
N#C[C@]1(c2ccccn2)CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852330884	EF	On-Demand	Mild	SLC12A5	56	35
N#Cc1cccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852331007	EG	On-Demand	Mild	HRH3	51	41
N#Cc1cccc(OCCCN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852331007	EG	On-Demand	Mild	MEN1	48	41
N#Cc1cccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852331010	EG	On-Demand	Mild	HRH3	51	41
N#Cc1cccc(OCCCN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852331010	EG	On-Demand	Mild	MEN1	48	41
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)N1CCOCC1	ZINC000852331014	FD	On-Demand	Anodyne	EPHX2	29	41
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCC1CCN(C(=O)OC)CC1	ZINC000852331023	DE	On-Demand	Mild	CACNA1I	44	32
CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852331131	GG	On-Demand	Mild	PRNP	42	38
CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852331132	GG	On-Demand	Mild	PRNP	42	38
CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852331133	GG	On-Demand	Mild	PRNP	42	38
CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852331134	GG	On-Demand	Mild	PRNP	42	38
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852331262	FG	On-Demand	Mild	G2YM83_BOTF4	51	32
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852331264	FG	On-Demand	Mild	G2YM83_BOTF4	51	32
COc1ccc(N2CC[C@H](NC(=O)NCC3(S(C)(=O)=O)CCCC3)C2)cc1	ZINC000852331350	GD	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NCC3(S(C)(=O)=O)CCCC3)C2)cc1	ZINC000852331350	GD	On-Demand	Clean	MTNR1B	16	45
N#Cc1ccc(CCN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852331361	DG	On-Demand	Mild	KCNJ1	15	48
N#Cc1ccc(CCN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852331362	DG	On-Demand	Mild	KCNJ1	15	48
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3c(s2)CCC3)C1	ZINC000852331392	FF	On-Demand	Mild	SLC27A1	58	59
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3c(s2)CCC3)C1	ZINC000852331396	FF	On-Demand	Mild	SLC27A1	58	59
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000852331421	FE	On-Demand	Mild	EPHX2	18	44
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000852331422	FE	On-Demand	Mild	EPHX2	18	44
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nccs2)C1	ZINC000852331446	EE	On-Demand	Mild	MAP1	90	47
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2nccs2)C1	ZINC000852331447	EE	On-Demand	Mild	MAP1	90	47
CC(C)(C)OC(=O)NCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852331628	EF	On-Demand	Mild	ADRA1D	27	42
CC(C)(C)OC(=O)NCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852331628	EF	On-Demand	Mild	ADRA1A	49	47
CC(C)(C)OC(=O)NCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852331628	EF	On-Demand	Mild	ADRA1B	22	46
CC(C)(C)OC(=O)NCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852331630	EF	On-Demand	Mild	ADRA1D	27	42
CC(C)(C)OC(=O)NCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852331630	EF	On-Demand	Mild	ADRA1A	49	47
CC(C)(C)OC(=O)NCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852331630	EF	On-Demand	Mild	ADRA1B	22	46
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccc(F)cc3s2)C1	ZINC000852331662	GG	On-Demand	Mild	CSNK1D	42	38
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccc(F)cc3s2)C1	ZINC000852331662	GG	On-Demand	Mild	SLC27A1	42	47
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccc(F)cc3s2)C1	ZINC000852331666	GG	On-Demand	Mild	CSNK1D	42	38
N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccc(F)cc3s2)C1	ZINC000852331666	GG	On-Demand	Mild	SLC27A1	42	47
N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000852331707	GE	On-Demand	Mild	ABCB1	44	38
N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000852331713	GE	On-Demand	Mild	ABCB1	44	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(c2ccccn2)CCC1	ZINC000852331718	GF	On-Demand	Clean	SLC6A9	16	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1(c2ccccn2)CCC1	ZINC000852331718	GF	On-Demand	Clean	STAT6	17	42
N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000852331719	GE	On-Demand	Mild	ABCB1	44	38
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000852331722	GE	On-Demand	Mild	ABCB1	44	38
CCCCCNC(=O)CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852331742	FF	On-Demand	Anodyne	CFTR	41	32
CCCCCNC(=O)CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852331742	FF	On-Demand	Anodyne	ASAH1	65	31
O=C(Nc1ccc2c(c1)CN(CCOc1ccccc1F)C2)C(F)(F)F	ZINC000852331766	FH	On-Demand	Anodyne	EPHX2	16	42
CCOc1ccccc1NC(=O)CCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852331887	GG	On-Demand	Mild	HCN1	41	33
CCOc1ccccc1NC(=O)CCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852331887	GG	On-Demand	Mild	HCN4	40	33
CCOc1ccccc1NC(=O)CCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852331893	GG	On-Demand	Mild	HCN1	41	33
CCOc1ccccc1NC(=O)CCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852331893	GG	On-Demand	Mild	HCN4	40	33
O=C(NCCn1cc(Br)cn1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852331929	GE	On-Demand	Anodyne	SIGMAR1	22	41
O=C(NCCn1cc(Br)cn1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852331932	GE	On-Demand	Anodyne	SIGMAR1	22	41
CC(C)(C)OC(=O)N1CC(CN2CCC[C@@](C#N)(c3ccccn3)C2)C1	ZINC000852331953	FF	On-Demand	Mild	GPR119	21	41
CC(C)(C)OC(=O)N1CC(CN2CCC[C@](C#N)(c3ccccn3)C2)C1	ZINC000852331957	FF	On-Demand	Mild	GPR119	21	41
N#C[C@@]1(c2ccccn2)CCCN(CCCNC(=O)C(F)(F)F)C1	ZINC000852332025	EE	On-Demand	Mild	ADRA1A	26	44
N#C[C@]1(c2ccccn2)CCCN(CCCNC(=O)C(F)(F)F)C1	ZINC000852332027	EE	On-Demand	Mild	ADRA1A	26	44
N#C[C@@]1(c2ccccn2)CCCN(CCCCc2ccccc2)C1	ZINC000852332032	DH	On-Demand	Mild	SIGMAR1	31	51
N#C[C@@]1(c2ccccn2)CCCN(CCCCc2ccccc2)C1	ZINC000852332032	DH	On-Demand	Mild	HNMT	42	32
N#C[C@]1(c2ccccn2)CCCN(CCCCc2ccccc2)C1	ZINC000852332036	DH	On-Demand	Mild	SIGMAR1	31	51
N#C[C@]1(c2ccccn2)CCCN(CCCCc2ccccc2)C1	ZINC000852332036	DH	On-Demand	Mild	HNMT	42	32
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCn2cc(Br)cn2)C1	ZINC000852332053	GF	On-Demand	Anodyne	CCR5	29	40
N#C[C@@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)c(F)c2)C1	ZINC000852332054	FH	On-Demand	Mild	LTA4H	30	41
N#C[C@]1(c2ccccn2)CCCN(CCOc2ccc(Cl)c(F)c2)C1	ZINC000852332056	FH	On-Demand	Mild	LTA4H	30	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCn2cc(Br)cn2)C1	ZINC000852332057	GF	On-Demand	Anodyne	CCR5	29	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CC[C@@H]2C)O1	ZINC000852332081	FD	On-Demand	Reactive	DRD4	22	41
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CC[C@@H]2C)O1	ZINC000852332081	FD	On-Demand	Reactive	SIGMAR1	22	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CC[C@H]2C)O1	ZINC000852332086	FD	On-Demand	Reactive	DRD4	22	41
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CC[C@H]2C)O1	ZINC000852332086	FD	On-Demand	Reactive	SIGMAR1	22	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CC[C@@H]2C)O1	ZINC000852332089	FD	On-Demand	Reactive	DRD4	22	41
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CC[C@@H]2C)O1	ZINC000852332089	FD	On-Demand	Reactive	SIGMAR1	22	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CC[C@H]2C)O1	ZINC000852332091	FD	On-Demand	Reactive	DRD4	22	41
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CC[C@H]2C)O1	ZINC000852332091	FD	On-Demand	Reactive	SIGMAR1	22	40
N#C[C@]1(c2ccccn2)CCCN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000852332101	GF	On-Demand	Mild	SIGMAR1	18	43
N#C[C@@]1(c2ccccn2)CCCN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000852332102	GF	On-Demand	Mild	SIGMAR1	18	43
COC(=O)c1ccc(CNC(=O)NCCn2cc(Br)cn2)c(F)c1	ZINC000852332109	GE	On-Demand	Anodyne	BDKRB1	29	40
COC(=O)c1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852332116	GG	On-Demand	Anodyne	NOD1	17	42
COC(=O)c1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852332116	GG	On-Demand	Anodyne	NOD2	45	42
N#C[C@@]1(c2ccccn2)CCCN(CCCN2CCCCC2)C1	ZINC000852332168	DF	On-Demand	Mild	HRH3	29	42
N#C[C@@]1(c2ccccn2)CCCN(CCCN2CCCCC2)C1	ZINC000852332168	DF	On-Demand	Mild	HNMT	77	37
N#C[C@]1(c2ccccn2)CCCN(CCCN2CCCCC2)C1	ZINC000852332170	DF	On-Demand	Mild	HRH3	29	42
N#C[C@]1(c2ccccn2)CCCN(CCCN2CCCCC2)C1	ZINC000852332170	DF	On-Demand	Mild	HNMT	77	37
O=C(NCC1(c2ccccn2)CCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852332193	FE	On-Demand	Anodyne	CALCRL	41	33
O=C(NCC1(c2ccccn2)CCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852332193	FE	On-Demand	Anodyne	SMO	26	40
N#C[C@]1(c2ccccn2)CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000852332253	GG	On-Demand	Mild	SIGMAR1	15	41
N#C[C@]1(c2ccccn2)CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000852332254	GG	On-Demand	Mild	SIGMAR1	15	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000852332255	GG	On-Demand	Mild	SIGMAR1	15	41
N#C[C@@]1(c2ccccn2)CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000852332256	GG	On-Demand	Mild	SIGMAR1	15	41
COC(=O)N(C)CCNC(=O)NCC1(c2ccccn2)CCC1	ZINC000852332467	DD	On-Demand	Anodyne	NMBR	42	37
COC(=O)N(C)CCNC(=O)NCC1(c2ccccn2)CCC1	ZINC000852332467	DD	On-Demand	Anodyne	SLC6A9	15	40
O=C(NCC1(c2ccccn2)CCC1)NNc1ccc(Cl)cn1	ZINC000852332476	EF	On-Demand	Reactive	NMBR	38	42
O=C(NCC1(c2ccccn2)CCC1)NNc1ccc(Cl)cn1	ZINC000852332476	EF	On-Demand	Reactive	SLC6A9	36	44
O=C(NCC1(c2ccccn2)CCC1)NNc1ccc(Cl)cn1	ZINC000852332476	EF	On-Demand	Reactive	GRPR	20	42
CSc1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852332505	GG	On-Demand	Mild	ABCB1	40	36
CSc1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852332508	GG	On-Demand	Mild	ABCB1	40	36
CSc1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852332510	GG	On-Demand	Mild	ABCB1	40	36
CSc1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852332512	GG	On-Demand	Mild	ABCB1	40	36
N#C[C@@]1(c2ccccn2)CCCN(CCCn2ccnc2)C1	ZINC000852332570	CE	On-Demand	Mild	QPCT	18	40
N#C[C@]1(c2ccccn2)CCCN(CCCn2ccnc2)C1	ZINC000852332571	CE	On-Demand	Mild	QPCT	18	40
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000852332652	GE	On-Demand	Mild	GPR119	20	42
CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000852332653	GE	On-Demand	Mild	GPR119	20	42
CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCC[C@](C#N)(c3ccccn3)C2)C1	ZINC000852332656	GH	On-Demand	Mild	GPR119	24	41
CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCC[C@@](C#N)(c3ccccn3)C2)C1	ZINC000852332657	GH	On-Demand	Mild	GPR119	24	41
CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCC[C@](C#N)(c3ccccn3)C2)C1	ZINC000852332658	GH	On-Demand	Mild	GPR119	24	41
CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCC[C@@](C#N)(c3ccccn3)C2)C1	ZINC000852332659	GH	On-Demand	Mild	GPR119	24	41
O=C(NCc1ncccn1)NCC1(c2ccccn2)CCC1	ZINC000852332713	CD	On-Demand	Anodyne	NMBR	47	42
O=C(NCc1ncccn1)NCC1(c2ccccn2)CCC1	ZINC000852332713	CD	On-Demand	Anodyne	SLC6A9	16	44
O=C(NCc1ncccn1)NCC1(c2ccccn2)CCC1	ZINC000852332713	CD	On-Demand	Anodyne	GRPR	25	42
CC(C)(C)OC(=O)N1CCC(CCN2CCC[C@](C#N)(c3ccccn3)C2)CC1	ZINC000852332785	GH	On-Demand	Mild	GPR119	42	48
CC(C)(C)OC(=O)N1CCC(CCN2CCC[C@@](C#N)(c3ccccn3)C2)CC1	ZINC000852332786	GH	On-Demand	Mild	GPR119	42	48
COc1cccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852332810	EG	On-Demand	Mild	LTA4H	27	43
COc1cccc(OCCN2CCC[C@@](C#N)(c3ccccn3)C2)c1	ZINC000852332810	EG	On-Demand	Mild	EBP	33	41
COc1cccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852332811	EG	On-Demand	Mild	LTA4H	27	43
COc1cccc(OCCN2CCC[C@](C#N)(c3ccccn3)C2)c1	ZINC000852332811	EG	On-Demand	Mild	EBP	33	41
N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852332826	FE	On-Demand	Mild	SLC12A5	53	36
N#C[C@]1(c2ccccn2)CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852332827	FE	On-Demand	Mild	SLC12A5	53	36
N#C[C@@]1(c2ccccn2)CCCN(CCCc2cccc(F)c2)C1	ZINC000852332847	DH	On-Demand	Mild	SIGMAR1	20	44
N#C[C@]1(c2ccccn2)CCCN(CCCc2cccc(F)c2)C1	ZINC000852332848	DH	On-Demand	Mild	SIGMAR1	20	44
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NCC1(c2ccccn2)CCC1	ZINC000852332871	GH	On-Demand	Anodyne	NMBR	38	43
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NCC1(c2ccccn2)CCC1	ZINC000852332871	GH	On-Demand	Anodyne	SLC6A9	26	40
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NCC1(c2ccccn2)CCC1	ZINC000852332871	GH	On-Demand	Anodyne	GRPR	20	43
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NCC1(c2ccccn2)CCC1	ZINC000852332872	GH	On-Demand	Anodyne	NMBR	38	43
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NCC1(c2ccccn2)CCC1	ZINC000852332872	GH	On-Demand	Anodyne	SLC6A9	26	40
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NCC1(c2ccccn2)CCC1	ZINC000852332872	GH	On-Demand	Anodyne	GRPR	20	43
CC(=O)N1CCN(C(=O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)CC1	ZINC000852332877	GD	On-Demand	Anodyne	EPHX2	17	46
N#C[C@]1(c2ccccn2)CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852332943	GH	On-Demand	Mild	LUCI_PHOPY	62	44
N#C[C@@]1(c2ccccn2)CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852332945	GH	On-Demand	Mild	LUCI_PHOPY	62	44
N#C[C@@]1(c2ccccn2)CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852332947	GH	On-Demand	Mild	LUCI_PHOPY	62	44
N#C[C@]1(c2ccccn2)CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852332949	GH	On-Demand	Mild	LUCI_PHOPY	62	44
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NCc1cccs1	ZINC000852333005	GF	On-Demand	Anodyne	MTTP	17	40
N#C[C@@]1(c2ccccn2)CCCN(CCCOCc2ccccc2)C1	ZINC000852333068	EH	On-Demand	Mild	SIGMAR1	15	40
N#C[C@]1(c2ccccn2)CCCN(CCCOCc2ccccc2)C1	ZINC000852333069	EH	On-Demand	Mild	SIGMAR1	15	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CSC)cc3)C2)cc1	ZINC000852333160	GH	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CSC)cc3)C2)cc1	ZINC000852333160	GH	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CSC)cc3)C2)cc1	ZINC000852333160	GH	On-Demand	Clean	MCHR1	15	52
COC(=O)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852333181	GG	On-Demand	Anodyne	NOD1	20	48
COC(=O)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852333181	GG	On-Demand	Anodyne	NOD2	53	48
N#C[C@]1(c2ccccn2)CCCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852333187	EI	On-Demand	Mild	EBP	20	47
N#C[C@@]1(c2ccccn2)CCCN(CC[C@H]2CCc3ccccc32)C1	ZINC000852333189	EI	On-Demand	Mild	EBP	20	47
N#C[C@]1(c2ccccn2)CCCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852333190	EI	On-Demand	Mild	EBP	20	47
N#C[C@@]1(c2ccccn2)CCCN(CC[C@@H]2CCc3ccccc32)C1	ZINC000852333192	EI	On-Demand	Mild	EBP	20	47
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852333202	GI	On-Demand	Mild	DRD2	20	46
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852333202	GI	On-Demand	Mild	ADRA1D	19	40
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852333202	GI	On-Demand	Mild	ADRA1A	33	44
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852333205	GI	On-Demand	Mild	DRD2	20	46
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852333205	GI	On-Demand	Mild	ADRA1D	19	40
CC(C)(C)OC(=O)NCCCCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852333205	GI	On-Demand	Mild	ADRA1A	33	44
O=C(NCCS(=O)(=O)CC(F)(F)F)NCC1(c2ccccn2)CCC1	ZINC000852333277	GD	On-Demand	Anodyne	NMBR	42	39
O=C(NCCS(=O)(=O)CC(F)(F)F)NCC1(c2ccccn2)CCC1	ZINC000852333277	GD	On-Demand	Anodyne	SLC6A9	32	43
COc1cc(CN2CCC[C@@](C#N)(c3ccccn3)C2)ccc1Cl	ZINC000852333306	EH	On-Demand	Mild	DRD4	15	43
COc1cc(CN2CCC[C@](C#N)(c3ccccn3)C2)ccc1Cl	ZINC000852333307	EH	On-Demand	Mild	DRD4	15	43
COCCc1ccc(OC[C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852333344	GF	On-Demand	Mild	ABCB1	43	41
COCCc1ccc(OC[C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1	ZINC000852333345	GF	On-Demand	Mild	ABCB1	43	41
COCCc1ccc(OC[C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852333346	GF	On-Demand	Mild	ABCB1	43	41
COCCc1ccc(OC[C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1	ZINC000852333347	GF	On-Demand	Mild	ABCB1	43	41
COc1cccc(OC)c1OCCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852333373	GH	On-Demand	Mild	HTR1A	24	42
COc1cccc(OC)c1OCCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852333373	GH	On-Demand	Mild	DRD2	17	42
COc1cccc(OC)c1OCCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852333373	GH	On-Demand	Mild	ADRA1A	15	43
COc1cccc(OC)c1OCCCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852333373	GH	On-Demand	Mild	EBP	39	49
COc1cccc(OC)c1OCCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852333374	GH	On-Demand	Mild	HTR1A	24	42
COc1cccc(OC)c1OCCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852333374	GH	On-Demand	Mild	DRD2	17	42
COc1cccc(OC)c1OCCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852333374	GH	On-Demand	Mild	ADRA1A	15	43
COc1cccc(OC)c1OCCCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852333374	GH	On-Demand	Mild	EBP	39	49
N#C[C@@]1(c2ccccn2)CCCN(CCc2ccc(Cl)cc2)C1	ZINC000852333415	EH	On-Demand	Mild	ABCC1	41	41
N#C[C@]1(c2ccccn2)CCCN(CCc2ccc(Cl)cc2)C1	ZINC000852333416	EH	On-Demand	Mild	ABCC1	41	41
O=C(NC[C@H](O)c1cccc2ccccc12)NCC1(c2ccccn2)CCC1	ZINC000852333432	GH	On-Demand	Anodyne	NMBR	48	44
O=C(NC[C@@H](O)c1cccc2ccccc12)NCC1(c2ccccn2)CCC1	ZINC000852333433	GH	On-Demand	Anodyne	NMBR	48	44
O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1COC2(CCC2)C1	ZINC000852333496	DF	On-Demand	Anodyne	SLC6A9	15	41
O=C(NCC1(c2ccccn2)CCC1)N[C@H]1COC2(CCC2)C1	ZINC000852333497	DF	On-Demand	Anodyne	SLC6A9	15	41
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccccn4)CCC3)C2)cc1	ZINC000852333548	GG	On-Demand	Clean	NMBR	42	34
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccccn4)CCC3)C2)cc1	ZINC000852333548	GG	On-Demand	Clean	MTNR1A	18	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccccn4)CCC3)C2)cc1	ZINC000852333548	GG	On-Demand	Clean	MTNR1B	18	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4ccccn4)CCC3)C2)cc1	ZINC000852333548	GG	On-Demand	Clean	SLC6A9	19	41
CC(C)(C)OC(=O)NCCOCCN1CCC[C@@](C#N)(c2ccccn2)C1	ZINC000852333658	FE	On-Demand	Mild	ADRA1A	16	49
CC(C)(C)OC(=O)NCCOCCN1CCC[C@](C#N)(c2ccccn2)C1	ZINC000852333659	FE	On-Demand	Mild	ADRA1A	16	49
O=C(NCCn1cc(Br)cn1)NCC1CCN(CC2CC2)CC1	ZINC000852333664	GE	On-Demand	Anodyne	CACNA1I	58	36
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC[C@@](C#N)(c3ccccn3)C2)C1	ZINC000852333754	GH	On-Demand	Mild	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC[C@@](C#N)(c3ccccn3)C2)C1	ZINC000852333755	GH	On-Demand	Mild	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCC[C@](C#N)(c3ccccn3)C2)C1	ZINC000852333756	GH	On-Demand	Mild	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCC[C@](C#N)(c3ccccn3)C2)C1	ZINC000852333757	GH	On-Demand	Mild	GPR119	31	44
N#C[C@@]1(c2ccccn2)CCCN(CCCCCF)C1	ZINC000852333758	CG	On-Demand	Mild	EBP	22	42
N#C[C@]1(c2ccccn2)CCCN(CCCCCF)C1	ZINC000852333759	CG	On-Demand	Mild	EBP	22	42
N#C[C@@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333786	GG	On-Demand	Mild	HTR1A	46	50
N#C[C@@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333786	GG	On-Demand	Mild	DRD2	30	50
N#C[C@@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333786	GG	On-Demand	Mild	DRD4	38	43
N#C[C@@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333786	GG	On-Demand	Mild	HTR2A	32	50
N#C[C@@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333786	GG	On-Demand	Mild	DRD3	25	44
N#C[C@@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333786	GG	On-Demand	Mild	HTR7	47	39
N#C[C@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333787	GG	On-Demand	Mild	HTR1A	46	50
N#C[C@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333787	GG	On-Demand	Mild	DRD2	30	50
N#C[C@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333787	GG	On-Demand	Mild	DRD4	38	43
N#C[C@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333787	GG	On-Demand	Mild	HTR2A	32	50
N#C[C@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333787	GG	On-Demand	Mild	DRD3	25	44
N#C[C@]1(c2ccccn2)CCCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852333787	GG	On-Demand	Mild	HTR7	47	39
O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1C=CCC1	ZINC000852333796	CF	On-Demand	Anodyne	NMBR	45	40
O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1C=CCC1	ZINC000852333796	CF	On-Demand	Anodyne	GRPR	24	40
O=C(NCC1(c2ccccn2)CCC1)N[C@H]1C=CCC1	ZINC000852333797	CF	On-Demand	Anodyne	NMBR	45	40
O=C(NCC1(c2ccccn2)CCC1)N[C@H]1C=CCC1	ZINC000852333797	CF	On-Demand	Anodyne	GRPR	24	40
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCC1(c2ccccn2)CCC1	ZINC000852333810	GD	On-Demand	Reactive	NMBR	45	40
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCC1(c2ccccn2)CCC1	ZINC000852333810	GD	On-Demand	Reactive	GRPR	24	40
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(c2ccccn2)CCC1	ZINC000852333847	FE	On-Demand	Anodyne	NMBR	43	40
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(c2ccccn2)CCC1	ZINC000852333847	FE	On-Demand	Anodyne	SLC6A9	15	41
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(c2ccccn2)CCC1	ZINC000852333847	FE	On-Demand	Anodyne	GRPR	23	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(c2ccccn2)CCC1	ZINC000852333848	FE	On-Demand	Anodyne	NMBR	43	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(c2ccccn2)CCC1	ZINC000852333848	FE	On-Demand	Anodyne	SLC6A9	15	41
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(c2ccccn2)CCC1	ZINC000852333848	FE	On-Demand	Anodyne	GRPR	23	40
O=C(NCCn1cc(Br)cn1)NCc1cccnc1N1CCCC1	ZINC000852333857	GE	On-Demand	Anodyne	SCN2A	18	44
O=C(NCCn1cc(Br)cn1)NCc1cccnc1N1CCCC1	ZINC000852333857	GE	On-Demand	Anodyne	SCN10A	19	44
CN(CCN1CCC[C@@](C#N)(c2ccccn2)C1)Cc1ccccc1	ZINC000852333916	EG	On-Demand	Mild	SIGMAR1	15	43
CN(CCN1CCC[C@](C#N)(c2ccccn2)C1)Cc1ccccc1	ZINC000852333917	EG	On-Demand	Mild	SIGMAR1	15	43
COCCN(CCF)C(=O)NCC1(c2ccccn2)CCC1	ZINC000852333930	DE	On-Demand	Anodyne	SLC6A9	17	40
Cc1cccc(NC(=O)[C@@H](C)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334009	GH	On-Demand	Anodyne	KCNK3	54	37
Cc1cccc(NC(=O)[C@@H](C)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334009	GH	On-Demand	Anodyne	KCNK9	51	35
Cc1cccc(NC(=O)[C@H](C)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334010	GH	On-Demand	Anodyne	KCNK3	54	37
Cc1cccc(NC(=O)[C@H](C)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334010	GH	On-Demand	Anodyne	KCNK9	51	35
CN(C)C(=O)c1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334011	GG	On-Demand	Anodyne	NOD2	41	38
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NCc1cccnc1	ZINC000852334014	GE	On-Demand	Anodyne	NAMPT	78	42
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)OCc1ccccc1	ZINC000852334024	GG	On-Demand	Anodyne	ELANE	21	40
Cc1ccc(OC[C@@H](O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334034	GG	On-Demand	Anodyne	ADRB2	15	40
Cc1ccc(OC[C@@H](O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334034	GG	On-Demand	Anodyne	ACOX1	82	44
Cc1ccc(OC[C@@H](O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334034	GG	On-Demand	Anodyne	ABCB1	42	40
Cc1ccc(OC[C@H](O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334035	GG	On-Demand	Anodyne	ADRB2	15	40
Cc1ccc(OC[C@H](O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334035	GG	On-Demand	Anodyne	ACOX1	82	44
Cc1ccc(OC[C@H](O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334035	GG	On-Demand	Anodyne	ABCB1	42	40
O=C(Nc1ccc2c(c1)CN(CCCOc1ccccc1)C2)C(F)(F)F	ZINC000852334043	FH	On-Demand	Anodyne	HRH3	36	47
O=C(Nc1ccc2c(c1)CN(CCCOc1ccccc1)C2)C(F)(F)F	ZINC000852334043	FH	On-Demand	Anodyne	HTR5A	20	40
O=C(Nc1ccc2c(c1)CN(CCCOc1ccccc1)C2)C(F)(F)F	ZINC000852334043	FH	On-Demand	Anodyne	EPHX2	33	47
O=C(Nc1ccc2c(c1)CN(CCN1CCOCC1)C2)C(F)(F)F	ZINC000852334052	ED	On-Demand	Anodyne	CASR	47	42
O=C(Nc1ccc2c(c1)CN(CCN1CCOCC1)C2)C(F)(F)F	ZINC000852334052	ED	On-Demand	Anodyne	EPHX2	32	46
CCCCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334057	DH	On-Demand	Anodyne	CFTR	48	33
CCCCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334057	DH	On-Demand	Anodyne	EST1_PIG	46	32
O=C(Nc1ccc2c(c1)CN(CCc1cccs1)C2)C(F)(F)F	ZINC000852334062	EH	On-Demand	Anodyne	PTPRF	18	41
O=C(Nc1ccc2c(c1)CN(Cc1cc(Cl)nc(Cl)c1)C2)C(F)(F)F	ZINC000852334082	GI	On-Demand	Anodyne	NPY2R	18	40
O=C(Nc1ccc2c(c1)CN(Cc1cc(Cl)nc(Cl)c1)C2)C(F)(F)F	ZINC000852334082	GI	On-Demand	Anodyne	NOD2	41	39
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NC(=O)NC1CC1	ZINC000852334092	FD	On-Demand	Anodyne	EPHX2	50	42
O=C(Nc1ccc2c(c1)CN(Cc1noc(C3CC3)n1)C2)C(F)(F)F	ZINC000852334129	FF	On-Demand	Anodyne	ETHR	48	36
COC(=O)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1F	ZINC000852334130	GH	On-Demand	Anodyne	NOD2	43	39
N#Cc1ccccc1OCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334131	GG	On-Demand	Mild	ADRB1	48	36
N#Cc1cccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334140	GG	On-Demand	Mild	EPHX2	18	40
CC(=O)Nc1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334177	GH	On-Demand	Anodyne	NPY2R	17	42
CC(=O)Nc1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334177	GH	On-Demand	Anodyne	HDAH	27	43
CC(=O)Nc1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334177	GH	On-Demand	Anodyne	NOD2	42	38
O=C(Nc1ccc2c(c1)CN(CCOc1ccc([N+](=O)[O-])cc1)C2)C(F)(F)F	ZINC000852334182	GG	On-Demand	Bother	LTA4H	15	46
O=C(Nc1ccc2c(c1)CN(Cc1noc3c1CCCC3)C2)C(F)(F)F	ZINC000852334190	FH	On-Demand	Anodyne	PANC	44	31
O=C(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Nc1ccccc1	ZINC000852334223	GH	On-Demand	Anodyne	PTPRF	41	33
O=C(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Nc1ccccc1	ZINC000852334223	GH	On-Demand	Anodyne	SLC1A2	42	38
O=C(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Nc1ccccc1	ZINC000852334223	GH	On-Demand	Anodyne	TERT	17	40
O=C(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Nc1ccccc1	ZINC000852334223	GH	On-Demand	Anodyne	HDAH	40	37
O=C(Nc1ccc2c(c1)CN(CCN1CCCCC1)C2)C(F)(F)F	ZINC000852334231	EF	On-Demand	Anodyne	CHRNA7	20	40
O=C(Nc1ccc2c(c1)CN(CCN1CCCCC1)C2)C(F)(F)F	ZINC000852334231	EF	On-Demand	Anodyne	EPHX2	20	40
O=C(Nc1ccc2c(c1)CN(CCc1ccccn1)C2)C(F)(F)F	ZINC000852334286	EG	On-Demand	Anodyne	GRM4	40	37
O=C(Nc1ccc2c(c1)CN(Cc1ccncc1)C2)C(F)(F)F	ZINC000852334298	DG	On-Demand	Anodyne	NOD1	16	41
O=C(Nc1ccc2c(c1)CN(Cc1ccncc1)C2)C(F)(F)F	ZINC000852334298	DG	On-Demand	Anodyne	NOD2	43	41
O=C(Nc1ccc2c(c1)CN(Cc1cccnc1Cl)C2)C(F)(F)F	ZINC000852334299	FH	On-Demand	Anodyne	NPY2R	25	41
O=C(Nc1ccc2c(c1)CN(Cc1cccnc1Cl)C2)C(F)(F)F	ZINC000852334299	FH	On-Demand	Anodyne	GRM4	46	37
N#CCOc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334306	GH	On-Demand	Mild	NOD1	16	43
N#CCOc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334306	GH	On-Demand	Mild	NOD2	45	43
O=C(Nc1ccc2c(c1)CN(Cc1cccnc1)C2)C(F)(F)F	ZINC000852334307	DG	On-Demand	Anodyne	CHRNA7	41	38
O=C(Nc1ccc2c(c1)CN(Cc1cccnc1)C2)C(F)(F)F	ZINC000852334307	DG	On-Demand	Anodyne	NOD2	40	38
O=C(Nc1ccc2c(c1)CN(Cc1cccnc1)C2)C(F)(F)F	ZINC000852334307	DG	On-Demand	Anodyne	NAMPT	47	38
O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)nc1)C2)C(F)(F)F	ZINC000852334320	FH	On-Demand	Anodyne	NOD2	42	39
O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)nc1)C2)C(F)(F)F	ZINC000852334320	FH	On-Demand	Anodyne	NACHRBETA2	40	35
O=C(Nc1ccc2c(c1)CN(CCCN1CCOCC1)C2)C(F)(F)F	ZINC000852334330	FE	On-Demand	Anodyne	CASR	43	40
O=C(Nc1ccc2c(c1)CN(CCCN1CCOCC1)C2)C(F)(F)F	ZINC000852334330	FE	On-Demand	Anodyne	CHRNA7	16	44
O=C(Nc1ccc2c(c1)CN(CCCN1CCOCC1)C2)C(F)(F)F	ZINC000852334330	FE	On-Demand	Anodyne	EPHX2	31	48
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1F)C2)C(F)(F)F	ZINC000852334333	GG	On-Demand	Anodyne	ADRB1	40	33
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1F)C2)C(F)(F)F	ZINC000852334333	GG	On-Demand	Anodyne	ACOX1	42	34
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1F)C2)C(F)(F)F	ZINC000852334333	GG	On-Demand	Anodyne	CCR1	35	40
O=C(Nc1ccc2c(c1)CN(C[C@H](O)COc1ccccc1F)C2)C(F)(F)F	ZINC000852334333	GG	On-Demand	Anodyne	ABCB1	64	40
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1F)C2)C(F)(F)F	ZINC000852334334	GG	On-Demand	Anodyne	ADRB1	40	33
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1F)C2)C(F)(F)F	ZINC000852334334	GG	On-Demand	Anodyne	ACOX1	42	34
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1F)C2)C(F)(F)F	ZINC000852334334	GG	On-Demand	Anodyne	CCR1	35	40
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)COc1ccccc1F)C2)C(F)(F)F	ZINC000852334334	GG	On-Demand	Anodyne	ABCB1	64	40
O=C1OCC[C@@H]1CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334345	EE	On-Demand	Anodyne	LUXR	48	36
O=C1OCC[C@@H]1CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334345	EE	On-Demand	Anodyne	TRAR	42	35
O=C1OCC[C@H]1CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334346	EE	On-Demand	Anodyne	LUXR	48	36
O=C1OCC[C@H]1CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334346	EE	On-Demand	Anodyne	TRAR	42	35
COc1cc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)ccc1SC	ZINC000852334382	GI	On-Demand	Anodyne	NOD2	42	36
O=C(Nc1ccc2c(c1)CN(CCC1CC1)C2)C(F)(F)F	ZINC000852334396	CG	On-Demand	Anodyne	DRD3	15	42
CCCCCNC(=O)[C@@H](C)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334398	FG	On-Demand	Anodyne	ASAH1	65	32
CCCCCNC(=O)[C@H](C)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334399	FG	On-Demand	Anodyne	ASAH1	65	32
COc1ccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334410	GH	On-Demand	Anodyne	HTR2A	18	40
COc1ccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334410	GH	On-Demand	Anodyne	ABCB1	15	45
COc1ccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334410	GH	On-Demand	Anodyne	MCHR1	23	41
O=C(Nc1ccc2c(c1)CN(Cc1ccccn1)C2)C(F)(F)F	ZINC000852334411	DG	On-Demand	Anodyne	GRM4	38	40
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NCC1CCC1	ZINC000852334412	FE	On-Demand	Anodyne	CACNA1I	41	32
O=C(Nc1ccc2c(c1)CN(CCc1ccc([N+](=O)[O-])cc1)C2)C(F)(F)F	ZINC000852334456	GH	On-Demand	Bother	ABCG2	19	45
O=C(Nc1ccc2c(c1)CN(CCc1ccc([N+](=O)[O-])cc1)C2)C(F)(F)F	ZINC000852334456	GH	On-Demand	Bother	KCNJ1	34	47
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NCC1CC1	ZINC000852334493	EE	On-Demand	Anodyne	CACNA1I	42	33
O=C(Nc1ccc2c(c1)CN(CCOc1cccc([N+](=O)[O-])c1)C2)C(F)(F)F	ZINC000852334496	GG	On-Demand	Bother	HRH2	18	45
NC(=O)COc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334519	GF	On-Demand	Anodyne	MCHR1	18	40
NC(=O)COc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334519	GF	On-Demand	Anodyne	NOD1	17	44
NC(=O)COc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334519	GF	On-Demand	Anodyne	NOD2	46	44
COC(=O)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)o1	ZINC000852334520	FG	On-Demand	Anodyne	NOD2	41	38
O=C(Nc1ccc2c(c1)CN(CCOc1ccc(F)cc1)C2)C(F)(F)F	ZINC000852334553	FH	On-Demand	Anodyne	LTA4H	28	41
O=C(Nc1ccc2c(c1)CN(CCOc1ccc(F)cc1)C2)C(F)(F)F	ZINC000852334553	FH	On-Demand	Anodyne	EPHX2	29	41
Cc1cccc(CNC(=O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334554	GG	On-Demand	Anodyne	CTRC	41	34
N#Cc1ccc(OCCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334565	GH	On-Demand	Mild	HRH3	26	45
N#Cc1ccc(OCCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334565	GH	On-Demand	Mild	EPHX2	24	44
N#Cc1ccc(OCCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334565	GH	On-Demand	Mild	MEN1	48	42
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NC1CCCC1	ZINC000852334568	FF	On-Demand	Anodyne	EPHX2	32	40
O=C1OCC[C@H]1N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334571	DD	On-Demand	Anodyne	LUXR	47	35
O=C1OCC[C@H]1N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334571	DD	On-Demand	Anodyne	TRAR	41	35
O=C1OCC[C@@H]1N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334572	DD	On-Demand	Anodyne	LUXR	47	35
O=C1OCC[C@@H]1N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334572	DD	On-Demand	Anodyne	TRAR	41	35
O=C(Nc1ccc2c(c1)CN(CCc1ccncc1)C2)C(F)(F)F	ZINC000852334581	EG	On-Demand	Anodyne	FLT1	37	43
O=C(Nc1ccc2c(c1)CN(CCOc1ccccc1)C2)C(F)(F)F	ZINC000852334607	FH	On-Demand	Anodyne	LTA4H	45	39
O=C(Nc1ccc2c(c1)CN(CCOc1ccccc1)C2)C(F)(F)F	ZINC000852334607	FH	On-Demand	Anodyne	EPHX2	28	41
O=C(Nc1ccc2c(c1)CN(CCOc1ccccc1)C2)C(F)(F)F	ZINC000852334607	FH	On-Demand	Anodyne	MCHR1	17	40
CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334609	CF	On-Demand	Anodyne	HDAH	40	40
CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334609	CF	On-Demand	Anodyne	NOD2	41	37
O=C(Nc1ccc2c(c1)CN(CCN1CCCC1)C2)C(F)(F)F	ZINC000852334613	EF	On-Demand	Anodyne	EPHX2	21	40
O=C(Nc1ccc2c(c1)CN(CCOc1cccc(F)c1)C2)C(F)(F)F	ZINC000852334616	FH	On-Demand	Anodyne	EPHX2	23	43
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NC1CCCCC1	ZINC000852334636	FF	On-Demand	Anodyne	EPHX2	32	41
O=C(Nc1ccc2c(c1)CN(CCOCCOc1ccccc1)C2)C(F)(F)F	ZINC000852334643	GH	On-Demand	Anodyne	EPHX2	24	41
CCOc1ccccc1OCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334651	GH	On-Demand	Anodyne	KCNK3	38	41
CCOc1ccccc1OCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334651	GH	On-Demand	Anodyne	KCNK9	39	41
O=C(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)N1CCOCC1	ZINC000852334655	FD	On-Demand	Anodyne	EPHX2	30	40
CN1CCCC[C@H]1CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334660	FG	On-Demand	Anodyne	ACKR3	61	30
CN1CCCC[C@@H]1CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334661	FG	On-Demand	Anodyne	ACKR3	61	30
Cc1cc(C)cc(NC(=O)CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852334694	GH	On-Demand	Anodyne	CALCRL	40	37
COC(=O)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c(F)c1	ZINC000852334712	GH	On-Demand	Anodyne	NOD2	40	38
CS(=O)(=O)N1CC[C@H](CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1	ZINC000852334724	GD	On-Demand	Anodyne	EPHX2	23	40
CS(=O)(=O)N1CC[C@@H](CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1	ZINC000852334725	GD	On-Demand	Anodyne	EPHX2	23	40
CC(C)(C#N)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334727	GJ	On-Demand	Mild	NPY2R	25	40
CC(C)(C#N)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334727	GJ	On-Demand	Mild	NOD1	17	40
CC(C)(C#N)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852334727	GJ	On-Demand	Mild	NOD2	44	40
O=C(Nc1ccc2c(c1)CN(CCn1ccnc1)C2)C(F)(F)F	ZINC000852334735	DE	On-Demand	Anodyne	TBXAS1	50	39
COC(=O)[C@@H](c1cccnc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334741	GF	On-Demand	Anodyne	NPY2R	28	44
COc1cc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)ccn1	ZINC000852334745	FG	On-Demand	Anodyne	NOD2	40	36
Cc1oncc1CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334752	EF	On-Demand	Anodyne	ABL2	41	31
CC(C)(C)OC(=O)NCCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852334763	GG	On-Demand	Anodyne	DRD2	15	48
COC(=O)c1ccc(CNC(=O)NNC(=O)C2(OC)CCOCC2)c(F)c1	ZINC000852334804	GC	On-Demand	Reactive	BDKRB1	25	41
COCCN(CCF)C(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852334830	FG	On-Demand	Anodyne	FFAR1	27	41
COCCN(CCF)C(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852334830	FG	On-Demand	Anodyne	CRTM	47	36
COCCN(CCF)C(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852334830	FG	On-Demand	Anodyne	PDS	71	38
O=C1[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334835	FE	On-Demand	Anodyne	KCNH2	15	42
O=C1[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334835	FE	On-Demand	Anodyne	LTA4H	31	40
O=C1[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334835	FE	On-Demand	Anodyne	SIGMAR1	16	42
O=C1[C@@H]2CN(C[C@H](O)c3ccc(F)cc3F)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334839	GE	On-Demand	Anodyne	SIGMAR1	15	41
O=C1[C@@H]2CN(C[C@@H](O)c3ccc(F)cc3F)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334840	GE	On-Demand	Anodyne	SIGMAR1	15	41
O=C1[C@@H]2CN(C[C@H](O)CN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334906	FC	On-Demand	Anodyne	SIGMAR1	35	40
O=C1[C@@H]2CN(C[C@H](O)CN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334906	FC	On-Demand	Anodyne	ABCB1	43	41
O=C1[C@@H]2CN(C[C@@H](O)CN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334909	FC	On-Demand	Anodyne	SIGMAR1	35	40
O=C1[C@@H]2CN(C[C@@H](O)CN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852334909	FC	On-Demand	Anodyne	ABCB1	43	41
Cn1ncc(CNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852334955	DC	On-Demand	Anodyne	P2RX7	17	43
Cn1ncc(CNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852334955	DC	On-Demand	Anodyne	SCN2A	19	48
Cn1ncc(CNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852334955	DC	On-Demand	Anodyne	SCN10A	23	48
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)Nc1ccc(O)cc1	ZINC000852335007	GD	On-Demand	Anodyne	LTA4H	23	43
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)Nc1ccc(O)cc1	ZINC000852335007	GD	On-Demand	Anodyne	SIGMAR1	16	40
Cn1ncc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852335046	EC	On-Demand	Anodyne	ACHE	29	44
Cn1ncc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852335046	EC	On-Demand	Anodyne	HTR4	42	44
Cn1ncc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852335046	EC	On-Demand	Anodyne	SIGMAR1	25	41
Cn1ncc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852335046	EC	On-Demand	Anodyne	SSTR5	45	33
Cn1ncc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852335046	EC	On-Demand	Anodyne	CCR3	30	42
Cn1ncc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852335046	EC	On-Demand	Anodyne	CACNA1I	65	42
O=C(Nc1ccc2c(c1)CN(Cc1ccc(CO)cc1)C2)C(F)(F)F	ZINC000852335090	FG	On-Demand	Anodyne	NOD1	17	43
O=C(Nc1ccc2c(c1)CN(Cc1ccc(CO)cc1)C2)C(F)(F)F	ZINC000852335090	FG	On-Demand	Anodyne	NOD2	45	43
COC(=O)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)nc1	ZINC000852335114	GF	On-Demand	Anodyne	ABL1	43	34
COC(=O)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)nc1	ZINC000852335114	GF	On-Demand	Anodyne	ABL2	44	31
COC(=O)c1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)nc1	ZINC000852335114	GF	On-Demand	Anodyne	NOD2	40	37
O=C(Nc1ccc2c(c1)CN(CCN1CCc3ccccc31)C2)C(F)(F)F	ZINC000852335147	GH	On-Demand	Anodyne	NOS1	18	45
O=C(Nc1ccc2c(c1)CN(CCN1CCc3ccccc31)C2)C(F)(F)F	ZINC000852335147	GH	On-Demand	Anodyne	NOD1	16	40
O=C(Nc1ccc2c(c1)CN(CCN1CCc3ccccc31)C2)C(F)(F)F	ZINC000852335147	GH	On-Demand	Anodyne	NOD2	42	40
CCC(CC)(CNC(=O)NNC(=O)C1(OC)CCOCC1)c1ccc(F)cc1	ZINC000852335160	GE	On-Demand	Reactive	CACNA1G	36	43
COc1ncccc1CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852335163	FG	On-Demand	Anodyne	P2RY1	59	42
O=C(Nc1ccc2c(c1)CN(Cc1noc(C3CCCCC3)n1)C2)C(F)(F)F	ZINC000852335176	GI	On-Demand	Anodyne	ETHR	47	35
CC(C)(C)OC(=O)NCCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335227	GE	On-Demand	Anodyne	DRD2	34	49
CC(C)(C)OC(=O)NCCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335227	GE	On-Demand	Anodyne	ACHE	24	41
CC(C)(C)OC(=O)NCCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335227	GE	On-Demand	Anodyne	ADRA1D	34	40
CC(C)(C)OC(=O)NCCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335227	GE	On-Demand	Anodyne	ADRA1A	50	40
CC(C)(C)OC(=O)NCCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335227	GE	On-Demand	Anodyne	ADRA1B	32	40
CC(C)(C)OC(=O)NCCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335227	GE	On-Demand	Anodyne	DRD3	57	36
CC(C)(C)OC(=O)NCCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335227	GE	On-Demand	Anodyne	SIGMAR1	24	52
O=C(Nc1ccc2c(c1)CN(CCc1ccc(F)c(F)c1)C2)C(F)(F)F	ZINC000852335250	FI	On-Demand	Anodyne	ABCC1	55	32
CC(=O)Oc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852335289	GH	On-Demand	Anodyne	NOD1	18	45
CC(=O)Oc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852335289	GH	On-Demand	Anodyne	NOD2	48	45
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCc1cnn(C)n1	ZINC000852335312	EE	On-Demand	Anodyne	MDM2	40	31
C=CCCCCCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852335313	EG	On-Demand	Mild	PYGL	33	48
C=CCCCCCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852335313	EG	On-Demand	Mild	PYGM	31	48
C=CCCCCCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852335314	EG	On-Demand	Mild	PYGL	33	48
C=CCCCCCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852335314	EG	On-Demand	Mild	PYGM	31	48
COC(=O)N(C)CCNC(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852335317	FF	On-Demand	Anodyne	HRH2	24	45
COC(=O)N(C)CCNC(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852335317	FF	On-Demand	Anodyne	MAOB	32	40
COC(=O)N(C)CCNC(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852335317	FF	On-Demand	Anodyne	LTA4H	15	40
COC(=O)N(C)CCNC(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852335317	FF	On-Demand	Anodyne	MTNR1A	22	42
COC(=O)N(C)CCNC(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852335317	FF	On-Demand	Anodyne	MTNR1B	21	42
COC(=O)N(C)CCNC(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852335317	FF	On-Demand	Anodyne	FFAR1	29	42
COC(=O)N(C)CCNC(=O)NCc1cccc(OCc2ccccc2)c1	ZINC000852335317	FF	On-Demand	Anodyne	PDS	75	39
O=C1[C@@H]2CN(CCc3cccs3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335332	EE	On-Demand	Anodyne	SIGMAR1	21	42
O=C1[C@@H]2CN(CCCCCCO)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335360	ED	On-Demand	Anodyne	SIGMAR1	47	39
O=C1[C@@H]2CN(CCCCCCO)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335360	ED	On-Demand	Anodyne	ALDH1A1	45	39
O=C(NCc1cccc(OCc2ccccc2)c1)NCC1SCCS1	ZINC000852335388	FH	On-Demand	Anodyne	HRH2	22	44
O=C(NCc1cccc(OCc2ccccc2)c1)NCC1SCCS1	ZINC000852335388	FH	On-Demand	Anodyne	MAOB	30	41
O=C(NCc1cccc(OCc2ccccc2)c1)NCC1SCCS1	ZINC000852335388	FH	On-Demand	Anodyne	GRIN2B	23	44
O=C(NCc1cccc(OCc2ccccc2)c1)NCC1SCCS1	ZINC000852335388	FH	On-Demand	Anodyne	EPHX2	17	43
O=C(NCc1cccc(OCc2ccccc2)c1)NCC1SCCS1	ZINC000852335388	FH	On-Demand	Anodyne	FFAR1	31	44
O=C(NCc1cccc(OCc2ccccc2)c1)NCC1SCCS1	ZINC000852335388	FH	On-Demand	Anodyne	PDS	59	37
Cn1ncc(CNC(=O)NCC2CCN(CC3CC3)CC2)n1	ZINC000852335408	DC	On-Demand	Anodyne	HTR4	38	40
Cn1ncc(CNC(=O)NCC2CCN(CC3CC3)CC2)n1	ZINC000852335408	DC	On-Demand	Anodyne	CACNA1I	66	38
O=C1[C@@H]2CN(Cc3ccc(Cl)nc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335412	FE	On-Demand	Anodyne	NACHRBETA2	41	38
O=C1[C@@H]2CN(C[C@H]3CCc4ccccc43)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335486	FF	On-Demand	Anodyne	SIGMAR1	26	49
O=C1[C@@H]2CN(C[C@@H]3CCc4ccccc43)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335487	FF	On-Demand	Anodyne	SIGMAR1	26	49
O=C1[C@@H]2CN(C[C@@H](O)c3ccccc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335498	FD	On-Demand	Anodyne	SLC6A3	15	43
O=C1[C@@H]2CN(C[C@H](O)c3ccccc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335499	FD	On-Demand	Anodyne	SLC6A3	15	43
COc1cncc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852335511	FG	On-Demand	Anodyne	NOD2	41	39
O=C(Nc1ccc2c(c1)CN(Cc1ncccn1)C2)C(F)(F)F	ZINC000852335525	DE	On-Demand	Anodyne	NOD2	40	38
O=C(Nc1ccc2c(c1)CN(Cc1nccs1)C2)C(F)(F)F	ZINC000852335536	EG	On-Demand	Anodyne	MAP1	51	35
O=C(Nc1ccc2c(c1)CN([C@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335548	GH	On-Demand	Anodyne	DRD4	36	45
O=C(Nc1ccc2c(c1)CN([C@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335548	GH	On-Demand	Anodyne	ACHE	33	41
O=C(Nc1ccc2c(c1)CN([C@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335548	GH	On-Demand	Anodyne	SIGMAR1	36	42
O=C(Nc1ccc2c(c1)CN([C@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335548	GH	On-Demand	Anodyne	NPY2R	29	42
O=C(Nc1ccc2c(c1)CN([C@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335548	GH	On-Demand	Anodyne	L3MBTL3	18	40
O=C(Nc1ccc2c(c1)CN([C@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335548	GH	On-Demand	Anodyne	NOD2	42	39
O=C(Nc1ccc2c(c1)CN([C@@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335549	GH	On-Demand	Anodyne	DRD4	36	45
O=C(Nc1ccc2c(c1)CN([C@@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335549	GH	On-Demand	Anodyne	ACHE	33	41
O=C(Nc1ccc2c(c1)CN([C@@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335549	GH	On-Demand	Anodyne	SIGMAR1	36	42
O=C(Nc1ccc2c(c1)CN([C@@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335549	GH	On-Demand	Anodyne	NPY2R	29	42
O=C(Nc1ccc2c(c1)CN([C@@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335549	GH	On-Demand	Anodyne	L3MBTL3	18	40
O=C(Nc1ccc2c(c1)CN([C@@H]1CCN(Cc3ccccc3)C1)C2)C(F)(F)F	ZINC000852335549	GH	On-Demand	Anodyne	NOD2	42	39
O=C(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Nc1cccnc1	ZINC000852335558	GF	On-Demand	Anodyne	NAMPT	20	40
O=C(Nc1ccc2c(c1)CN(CCc1cccc(F)c1F)C2)C(F)(F)F	ZINC000852335560	FI	On-Demand	Anodyne	NPY2R	18	41
C[C@H](C(=O)Nc1nccs1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852335565	GF	On-Demand	Anodyne	MAP1	113	38
C[C@@H](C(=O)Nc1nccs1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852335566	GF	On-Demand	Anodyne	MAP1	113	38
O=C(Nc1ccc2c(c1)CN(Cc1ccc(C(F)F)cc1)C2)C(F)(F)F	ZINC000852335567	FJ	On-Demand	Anodyne	NOD1	16	41
O=C(Nc1ccc2c(c1)CN(Cc1ccc(C(F)F)cc1)C2)C(F)(F)F	ZINC000852335567	FJ	On-Demand	Anodyne	NOD2	43	41
COCC[C@H](c1ccccc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852335568	GI	On-Demand	Anodyne	NPY2R	57	35
COCC[C@@H](c1ccccc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852335569	GI	On-Demand	Anodyne	NPY2R	57	35
O=C(Nc1ccc2c(c1)CN(CC1CC1)C2)C(F)(F)F	ZINC000852335574	CF	On-Demand	Anodyne	NPY2R	18	40
Cc1ncc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cn1	ZINC000852335577	EF	On-Demand	Anodyne	NOD2	41	36
Cc1ncsc1CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852335618	EG	On-Demand	Anodyne	MAP1	41	37
O=C1[C@@H]2CN(C[C@@H](O)c3ccc(Cl)cc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335630	GE	On-Demand	Anodyne	SLC6A3	15	40
O=C1[C@@H]2CN(C[C@H](O)c3ccc(Cl)cc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335632	GE	On-Demand	Anodyne	SLC6A3	15	40
O=C(CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)C1CC1	ZINC000852335634	ED	On-Demand	Anodyne	SIGMAR1	35	41
O=C(CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)N1CCCC1	ZINC000852335710	FD	On-Demand	Anodyne	ACHE	15	47
O=C(CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)N1CCCC1	ZINC000852335710	FD	On-Demand	Anodyne	SLC6A1	41	32
O=C(CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)N1CCCC1	ZINC000852335710	FD	On-Demand	Anodyne	PREP	49	41
O=C(CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)N1CCCC1	ZINC000852335710	FD	On-Demand	Anodyne	SAP2	34	43
O=C1[C@@H]2CN(CCF)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335766	CD	On-Demand	Anodyne	CTSG	15	44
O=C1[C@@H]2CN(CCF)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335766	CD	On-Demand	Anodyne	ALDH1A1	41	43
CC(C)(C)OC(=O)NCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335770	FD	On-Demand	Anodyne	DRD2	15	47
CC(C)(C)OC(=O)NCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335770	FD	On-Demand	Anodyne	ACHE	24	40
CC(C)(C)OC(=O)NCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335770	FD	On-Demand	Anodyne	SIGMAR1	25	47
CC(C)(C)OC(=O)NCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335770	FD	On-Demand	Anodyne	FPR1	41	35
C[C@H](CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC(=O)OC(C)(C)C	ZINC000852335780	GE	On-Demand	Anodyne	PGC	53	36
C[C@H](CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC(=O)OC(C)(C)C	ZINC000852335780	GE	On-Demand	Anodyne	PAPA1_CARPA	32	40
C[C@H](CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC(=O)OC(C)(C)C	ZINC000852335780	GE	On-Demand	Anodyne	CCKAR	27	43
C[C@H](CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC(=O)OC(C)(C)C	ZINC000852335780	GE	On-Demand	Anodyne	CTSK	24	44
C[C@H](CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC(=O)OC(C)(C)C	ZINC000852335780	GE	On-Demand	Anodyne	CTSL	18	40
C[C@H](CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC(=O)OC(C)(C)C	ZINC000852335780	GE	On-Demand	Anodyne	REN	52	40
C[C@H](CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC(=O)OC(C)(C)C	ZINC000852335780	GE	On-Demand	Anodyne	FPR1	51	41
NC(=O)[C@@](O)(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)c1ccccc1	ZINC000852335786	GC	On-Demand	Anodyne	CHRM3	26	40
NC(=O)[C@](O)(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)c1ccccc1	ZINC000852335787	GC	On-Demand	Anodyne	CHRM3	26	40
NC(=O)NC(=O)OCCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335790	FC	On-Demand	Anodyne	SIGMAR1	23	40
O=C1[C@@H]2CN(Cc3cnc(Cl)c(F)c3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335799	FE	On-Demand	Anodyne	PDE1C	41	37
O=C1[C@@H]2CN(CC[C@@H](O)c3ccccc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335805	FE	On-Demand	Anodyne	SLC6A3	19	48
O=C1[C@@H]2CN(CC[C@H](O)c3ccccc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335806	FE	On-Demand	Anodyne	SLC6A3	19	48
C#CCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852335809	CD	On-Demand	Mild	ALDH1A1	39	40
Cc1nc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)nc2ccccc12	ZINC000852335881	GH	On-Demand	Anodyne	MCHR1	42	37
CC[C@H](C)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852335900	CG	On-Demand	Anodyne	HDAH	23	40
CC(C)(C)OC(=O)N1CC(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1	ZINC000852335917	GG	On-Demand	Anodyne	GPR119	22	40
CC(C)(C#N)c1ccccc1CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852335942	GJ	On-Demand	Mild	ABL2	41	32
O=C1[C@@H]2CN(CCCI)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335981	GD	On-Demand	Reactive	ALDH1A1	50	44
O=C1[C@@H]2CN(CCCI)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852335981	GD	On-Demand	Reactive	ALDH3A1	24	40
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)NC(=O)NC1CCCC1	ZINC000852335992	GE	On-Demand	Anodyne	EPHX2	52	44
O=C1[C@@H]2CN(Cc3ccc(CF)cc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336003	FF	On-Demand	Anodyne	SIGMAR1	45	41
O=C(Nc1ccc2c(c1)CN(CCCOCc1ccccc1)C2)C(F)(F)F	ZINC000852336011	GI	On-Demand	Anodyne	GBA2	42	33
O=C(Cc1ccccc1)OCCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336017	GD	On-Demand	Anodyne	SIGMAR1	26	42
COC(=O)[C@@H](c1ccccc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852336021	GG	On-Demand	Anodyne	NPY2R	84	46
O=C(Nc1ccc2c(c1)CN(CCCc1ccncc1)C2)C(F)(F)F	ZINC000852336035	EH	On-Demand	Anodyne	FLT1	31	40
CS(=O)(=O)c1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336041	GG	On-Demand	Anodyne	NOD2	40	36
O=C(CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Nc1nccs1	ZINC000852336054	FF	On-Demand	Anodyne	MAP1	122	48
O=C1[C@@H]2CN(CCI)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336080	GD	On-Demand	Reactive	CTSG	15	44
O=C1[C@@H]2CN(CCI)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336080	GD	On-Demand	Reactive	ALDH1A1	41	43
O=C(C=NOCc1ccc(-n2cccn2)cc1)Nc1ccccc1Br	ZINC000852336091	GH	On-Demand	Mild	AMP1_PLAFQ	55	38
CCC(=O)CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336096	DD	On-Demand	Anodyne	ALDH1A1	45	38
O=C1[C@@H]2CN(Cc3ccc4c(c3)COC4)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336109	FE	On-Demand	Anodyne	SIGMAR1	42	36
CC(=O)Oc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336171	GE	On-Demand	Anodyne	TSHR	50	36
CC(=O)Oc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336171	GE	On-Demand	Anodyne	ACHE	25	40
CC(=O)Oc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336171	GE	On-Demand	Anodyne	SIGMAR1	47	44
CC(=O)Oc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336171	GE	On-Demand	Anodyne	CASP7	15	42
O=C1[C@@H]2CN(C[C@@H](O)C3CC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336237	DC	On-Demand	Anodyne	SIGMAR1	32	50
O=C1[C@@H]2CN(C[C@H](O)C3CC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336239	DC	On-Demand	Anodyne	SIGMAR1	32	50
COc1cccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336246	GH	On-Demand	Anodyne	DRD4	43	34
COc1cccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336246	GH	On-Demand	Anodyne	HRH2	31	42
COc1cccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336246	GH	On-Demand	Anodyne	HTR2A	16	40
COc1cccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336246	GH	On-Demand	Anodyne	MTNR1A	24	44
COc1cccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336246	GH	On-Demand	Anodyne	MTNR1B	33	44
COc1cccc(OCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336246	GH	On-Demand	Anodyne	EPHX2	22	42
O=C(Nc1ccc2c(c1)CN(CCc1cccnc1)C2)C(F)(F)F	ZINC000852336285	EG	On-Demand	Anodyne	CHRNA7	46	39
O=C(Nc1ccc2c(c1)CN(CCc1cccnc1)C2)C(F)(F)F	ZINC000852336285	EG	On-Demand	Anodyne	NAMPT	46	39
O=C(Nc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)C2)C(F)(F)F	ZINC000852336286	GG	On-Demand	Anodyne	NOD2	40	38
O=C(Nc1ccc2c(c1)CN(Cc1ncccc1C(F)(F)F)C2)C(F)(F)F	ZINC000852336288	GI	On-Demand	Anodyne	TRPV1	21	41
O=C(Nc1ccc2c(c1)CN(Cc1ncccc1C(F)(F)F)C2)C(F)(F)F	ZINC000852336288	GI	On-Demand	Anodyne	ABL2	42	33
O=C(Nc1ccc2c(c1)CN(Cc1cccc(C(F)F)c1)C2)C(F)(F)F	ZINC000852336296	FJ	On-Demand	Anodyne	NPY2R	17	41
COc1cc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)ccc1[N+](=O)[O-]	ZINC000852336306	GH	On-Demand	Bother	NOD2	40	36
O=C(Nc1ccc2c(c1)CN(CCCN1CCCCC1)C2)C(F)(F)F	ZINC000852336326	FG	On-Demand	Anodyne	CHRNA7	24	44
O=C(Nc1ccc2c(c1)CN(CCCN1CCCCC1)C2)C(F)(F)F	ZINC000852336326	FG	On-Demand	Anodyne	HNMT	43	31
CCC(CC)(CNC(=O)NCc1cnn(C)n1)c1ccc(F)cc1	ZINC000852336349	EF	On-Demand	Anodyne	CACNA1G	38	44
COc1ccc([C@@H]2CCCN2C(=O)NCc2cnn(C)n2)cc1F	ZINC000852336367	EE	On-Demand	Anodyne	ACKR3	57	32
O=C1CCC2=C(CCN(C(=O)NCc3cccc(OCc4ccccc4)c3)C2)N1	ZINC000852336375	GG	On-Demand	Anodyne	MAOB	15	43
C#CCNC(=O)[C@@H](C)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336378	EC	On-Demand	Mild	ACE	50	37
C#CCNC(=O)[C@H](C)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336379	EC	On-Demand	Mild	ACE	50	37
Cn1ncc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)n1	ZINC000852336386	FE	On-Demand	Anodyne	ROCK2	22	41
NC(=O)COc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336387	GD	On-Demand	Anodyne	LTA4H	55	42
NC(=O)COc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336387	GD	On-Demand	Anodyne	HRH3	15	40
NC(=O)COc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336387	GD	On-Demand	Anodyne	PLA2G2A	46	35
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	DRD2	18	41
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	DRD4	20	40
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	ACHE	20	43
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	SLC6A1	58	34
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	LTA4H	23	41
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	HRH3	31	44
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	SIGMAR1	80	46
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	ALDH1A1	40	42
O=C1[C@@H]2CN(CCN3CCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336389	ED	On-Demand	Anodyne	ALDH3A1	18	41
CC(=O)CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336393	DD	On-Demand	Anodyne	SIGMAR1	40	35
CC(=O)CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336393	DD	On-Demand	Anodyne	ALDH1A1	45	39
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cnn(C)n1	ZINC000852336394	DD	On-Demand	Anodyne	P2RX7	45	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cnn(C)n1	ZINC000852336395	DD	On-Demand	Anodyne	P2RX7	45	41
Cn1ncc(CNC(=O)NCc2ccc(Cl)c(Cl)c2)n1	ZINC000852336397	DE	On-Demand	Anodyne	P2RX7	29	42
Cn1ncc(CNC(=O)NCc2ccc(Cl)c(Cl)c2)n1	ZINC000852336397	DE	On-Demand	Anodyne	DNAE	85	36
Cn1ncc(CNC(=O)NCc2ccc(Cl)c(Cl)c2)n1	ZINC000852336397	DE	On-Demand	Anodyne	RPA1	63	34
Cn1ncc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)n1	ZINC000852336402	DC	On-Demand	Anodyne	DRD2	15	43
Cn1ncc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)n1	ZINC000852336402	DC	On-Demand	Anodyne	SIGMAR1	24	42
Cn1ncc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)n1	ZINC000852336403	DC	On-Demand	Anodyne	DRD2	15	43
Cn1ncc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)n1	ZINC000852336403	DC	On-Demand	Anodyne	SIGMAR1	24	42
Cn1ncc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852336404	EE	On-Demand	Anodyne	KCNH2	41	41
Cn1ncc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852336404	EE	On-Demand	Anodyne	EPHX2	21	45
Cn1ncc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852336404	EE	On-Demand	Anodyne	GLRA1	44	37
Cn1ncc(CNC(=O)N2CCc3nc(-c4ccccc4)sc3C2)n1	ZINC000852336407	FE	On-Demand	Anodyne	P2RY14	48	36
Cn1ncc(CNC(=O)NCc2cc(F)ccc2OC(F)F)n1	ZINC000852336414	ED	On-Demand	Anodyne	P2RX7	44	39
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(Br)n2)C1	ZINC000852336415	GG	On-Demand	Anodyne	PDE8B	44	32
O=C(Nc1ccc2c(c1)CN(Cc1ccc(CF)cc1)C2)C(F)(F)F	ZINC000852336435	FI	On-Demand	Anodyne	NOD1	17	43
O=C(Nc1ccc2c(c1)CN(Cc1ccc(CF)cc1)C2)C(F)(F)F	ZINC000852336435	FI	On-Demand	Anodyne	NOD2	46	43
CN(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Cc1ccc(F)cc1	ZINC000852336454	GH	On-Demand	Anodyne	NPY2R	27	43
CN(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Cc1ccc(F)cc1	ZINC000852336454	GH	On-Demand	Anodyne	CCR3	42	35
CN(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Cc1ccc(F)cc1	ZINC000852336454	GH	On-Demand	Anodyne	CALCRL	17	42
O=C(NCc1cccc(OCc2ccccc2)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852336484	FH	On-Demand	Anodyne	HRH2	22	41
O=C(NCc1cccc(OCc2ccccc2)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852336484	FH	On-Demand	Anodyne	PDS	52	35
O=C(NCc1cccc(OCc2ccccc2)c1)N[C@H]1COC2(CCC2)C1	ZINC000852336486	FH	On-Demand	Anodyne	HRH2	22	41
O=C(NCc1cccc(OCc2ccccc2)c1)N[C@H]1COC2(CCC2)C1	ZINC000852336486	FH	On-Demand	Anodyne	PDS	52	35
COc1ccccc1NC(=O)CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852336487	GG	On-Demand	Anodyne	KCNK3	42	38
COc1ccccc1NC(=O)CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852336487	GG	On-Demand	Anodyne	KCNK9	41	38
Cn1ncc(CNC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852336488	FE	On-Demand	Anodyne	RPA1	76	32
O=C(Nc1ccc2c(c1)CN(CCCn1ccnc1)C2)C(F)(F)F	ZINC000852336491	EF	On-Demand	Anodyne	TBXAS1	50	42
O=C(Nc1ccc2c(c1)CN(CCCn1ccnc1)C2)C(F)(F)F	ZINC000852336491	EF	On-Demand	Anodyne	HMOX2	46	35
O=C(Nc1ccc2c(c1)CN(CCCn1ccnc1)C2)C(F)(F)F	ZINC000852336491	EF	On-Demand	Anodyne	QPCT	45	42
O=C1[C@@H]2CN(C[C@H](O)c3cc(F)ccc3F)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336492	GE	On-Demand	Anodyne	SIGMAR1	17	41
O=C1[C@@H]2CN(C[C@@H](O)c3cc(F)ccc3F)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336493	GE	On-Demand	Anodyne	SIGMAR1	17	41
O=C(NCCC1SCCS1)NCc1cccc(OCc2ccccc2)c1	ZINC000852336494	GI	On-Demand	Anodyne	HRH2	25	48
O=C(NCCC1SCCS1)NCc1cccc(OCc2ccccc2)c1	ZINC000852336494	GI	On-Demand	Anodyne	MAOB	18	40
O=C(NCCC1SCCS1)NCc1cccc(OCc2ccccc2)c1	ZINC000852336494	GI	On-Demand	Anodyne	FFAR1	31	42
O=C(NCCC1SCCS1)NCc1cccc(OCc2ccccc2)c1	ZINC000852336494	GI	On-Demand	Anodyne	PDS	57	35
O=C(Nc1ccc2c(c1)CN(Cc1ccc3c(c1)COC3)C2)C(F)(F)F	ZINC000852336502	FH	On-Demand	Anodyne	NOD2	40	38
C=CCCCCCCNC(=O)N[C@H]1COC(C)(C)C1	ZINC000852336505	CF	On-Demand	Mild	EPHX2	21	40
C=CCCCCCCNC(=O)N[C@@H]1COC(C)(C)C1	ZINC000852336506	CF	On-Demand	Mild	EPHX2	21	40
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(Cl)nc2)C1	ZINC000852336507	EF	On-Demand	Anodyne	NACHRBETA2	45	33
O=C(Nc1ccc2c(c1)CN(CCc1ccccc1F)C2)C(F)(F)F	ZINC000852336544	FH	On-Demand	Anodyne	NPY2R	29	45
COc1cccc([C@]2(C)CCN(C(=O)NCc3cnn(C)n3)C2)c1	ZINC000852336608	ED	On-Demand	Anodyne	DRD4	42	32
COc1ccc(N2CC[C@H](NC(=O)NCc3cnn(C)n3)C2)cc1	ZINC000852336629	EC	On-Demand	Clean	NPBWR1	42	30
O=C1[C@@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336638	GF	On-Demand	Bother	ALDH1A1	23	40
CN(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Cc1ccccc1	ZINC000852336648	GH	On-Demand	Anodyne	LTA4H	18	40
CN(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Cc1ccccc1	ZINC000852336648	GH	On-Demand	Anodyne	NPY2R	38	41
CN(CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)Cc1ccccc1	ZINC000852336648	GH	On-Demand	Anodyne	CALCRL	24	40
N#Cc1cccc(OCCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336656	GH	On-Demand	Mild	CCR3	15	41
N#Cc1cccc(OCCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336656	GH	On-Demand	Mild	EPHX2	26	45
N#Cc1cccc(OCCCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336656	GH	On-Demand	Mild	MEN1	42	36
O=C(CCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)c1ccccc1	ZINC000852336680	GI	On-Demand	Anodyne	CYP2J2	52	37
CC(=O)c1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336702	FH	On-Demand	Anodyne	NPY2R	23	41
CC(=O)c1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336702	FH	On-Demand	Anodyne	HDAH	27	40
CC(=O)c1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336702	FH	On-Demand	Anodyne	NOD1	19	40
CC(=O)c1cccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852336702	FH	On-Demand	Anodyne	NOD2	44	40
O=C(Nc1ccc2c(c1)CN(CC[C@H](O)c1ccccc1)C2)C(F)(F)F	ZINC000852336706	FH	On-Demand	Anodyne	NPY2R	59	37
C#C[C@@H](NC(=O)NCc1cccc(OCc2ccccc2)c1)C1CCOCC1	ZINC000852336711	GG	On-Demand	Mild	PDS	50	35
O=C(Nc1ccc2c(c1)CN(CC[C@@H](O)c1ccccc1)C2)C(F)(F)F	ZINC000852336712	FH	On-Demand	Anodyne	NPY2R	59	37
C#C[C@H](NC(=O)NCc1cccc(OCc2ccccc2)c1)C1CCOCC1	ZINC000852336713	GG	On-Demand	Mild	PDS	50	35
N#CCc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852336714	FH	On-Demand	Mild	NOD1	16	40
N#CCc1ccc(CN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852336714	FH	On-Demand	Mild	NOD2	42	40
Cc1ccncc1CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852336732	EG	On-Demand	Anodyne	ABL1	48	38
Cc1ccncc1CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852336732	EG	On-Demand	Anodyne	ABL2	48	35
CO[C@@H](CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1)c1ccccc1	ZINC000852336743	FH	On-Demand	Anodyne	NPY2R	57	38
COC(=O)[C@@H](c1ccccc1C)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852336749	GH	On-Demand	Anodyne	MTTP	43	37
Cn1ncc(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)n1	ZINC000852336774	DC	On-Demand	Anodyne	CCR3	61	35
Cn1ncc(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)n1	ZINC000852336775	DC	On-Demand	Anodyne	CCR3	61	35
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(F)n2)C1	ZINC000852336785	DE	On-Demand	Anodyne	PDE8B	55	35
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@H](O)c2cccnc2)C1	ZINC000852336794	ED	On-Demand	Anodyne	ADRB3	43	37
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@H](O)c2cccnc2)C1	ZINC000852336796	ED	On-Demand	Anodyne	ADRB3	43	37
CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336799	FC	On-Demand	Reactive	ACE	68	37
CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336799	FC	On-Demand	Reactive	MME	52	33
CCC(=O)NNC(=O)[C@H](C)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336799	FC	On-Demand	Reactive	BIRC8	44	31
CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336802	FC	On-Demand	Reactive	ACE	68	37
CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336802	FC	On-Demand	Reactive	MME	52	33
CCC(=O)NNC(=O)[C@@H](C)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336802	FC	On-Demand	Reactive	BIRC8	44	31
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)OCc1ccccc1	ZINC000852336866	GD	On-Demand	Anodyne	SLC12A5	43	34
CC(C)c1ccc2c(c1)CN(C(=O)NCc1cnn(C)n1)CC2	ZINC000852336871	DE	On-Demand	Anodyne	MAPK1	47	38
Cn1ncc(CNC(=O)NCc2cccc(OC3CC3)c2F)n1	ZINC000852336884	DD	On-Demand	Anodyne	P2RX7	50	39
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CC[C@H](O)c2ccccc2)C1	ZINC000852336904	EF	On-Demand	Anodyne	SLC6A3	40	41
N#Cc1ccc(OCCCN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336906	GE	On-Demand	Mild	LTA4H	38	40
N#Cc1ccc(OCCCN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336906	GE	On-Demand	Mild	HRH3	56	49
N#Cc1ccc(OCCCN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336906	GE	On-Demand	Mild	SIGMAR1	19	48
N#Cc1ccc(OCCCN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336906	GE	On-Demand	Mild	MEN1	54	48
Cn1ncc(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852336914	FE	On-Demand	Anodyne	CNR1	64	40
Cn1ncc(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852336914	FE	On-Demand	Anodyne	DRD1	44	35
Cn1ncc(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852336914	FE	On-Demand	Anodyne	MC4R	82	36
Cn1ncc(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852336914	FE	On-Demand	Anodyne	CXCR3	25	43
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)Nc1cccnc1Cl	ZINC000852336920	GD	On-Demand	Anodyne	G2YM83_BOTF4	57	33
Cn1ncc(CNC(=O)NCC2CCN(C3CCOCC3)CC2)n1	ZINC000852336926	EC	On-Demand	Anodyne	HTR4	25	40
Cn1ncc(CNC(=O)NCC2CCN(C3CCOCC3)CC2)n1	ZINC000852336926	EC	On-Demand	Anodyne	CACNA1I	47	33
N#CCOc1ccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852336927	GE	On-Demand	Mild	LTA4H	26	40
CCCCC[C@@H](C)NC(=O)CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852336940	GE	On-Demand	Anodyne	ACE	33	44
O=C1[C@@H]2CN(CCOC3CCCCCC3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336952	FF	On-Demand	Anodyne	SIGMAR1	18	50
O=C1[C@@H]2CN(Cc3ccnc(Cl)c3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852336956	FE	On-Demand	Anodyne	SIGMAR1	18	40
Cn1ncc(CNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)n1	ZINC000852336957	FD	On-Demand	Anodyne	SSTR3	33	47
Cn1ncc(CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)n1	ZINC000852336959	DD	On-Demand	Anodyne	EPHX2	46	39
C=CCCCCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852336972	EH	On-Demand	Mild	SCN2A	19	46
C=CCCCCCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852336972	EH	On-Demand	Mild	SCN10A	20	46
O=C1[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852337076	FE	On-Demand	Anodyne	DRD4	17	52
O=C1[C@@H]2CN(CCCCCCCO)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852337083	EE	On-Demand	Anodyne	SIGMAR1	47	39
O=C1[C@@H]2CN(CCCCCCCO)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852337083	EE	On-Demand	Anodyne	ALDH1A1	45	39
Cn1ncc(CNC(=O)NCCc2ccnc3ccccc23)n1	ZINC000852337087	DD	On-Demand	Anodyne	MTNR1A	22	42
Cn1ncc(CNC(=O)NCCc2ccnc3ccccc23)n1	ZINC000852337087	DD	On-Demand	Anodyne	HNMT	46	35
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC1CCCCCCC1	ZINC000852337093	GE	On-Demand	Anodyne	ACE	41	36
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC1CCCCCCC1	ZINC000852337093	GE	On-Demand	Anodyne	CNR1	15	50
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC1CCCCCCC1	ZINC000852337093	GE	On-Demand	Anodyne	DRD4	26	50
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC1CCCCCCC1	ZINC000852337093	GE	On-Demand	Anodyne	CHRM3	17	43
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC1CCCCCCC1	ZINC000852337093	GE	On-Demand	Anodyne	CNR2	17	50
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC1CCCCCCC1	ZINC000852337093	GE	On-Demand	Anodyne	SIGMAR1	30	51
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC1CCCCCCC1	ZINC000852337093	GE	On-Demand	Anodyne	EPHX2	23	49
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NC1CCCCCCC1	ZINC000852337093	GE	On-Demand	Anodyne	BIRC2	37	42
Cc1cnc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cn1	ZINC000852337094	ED	On-Demand	Anodyne	PDE1C	35	42
O=C(NCc1cccc(OCc2ccccc2)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852337145	GG	On-Demand	Anodyne	SLC6A5	20	40
O=C(NCc1cccc(OCc2ccccc2)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852337145	GG	On-Demand	Anodyne	NPSR1	26	41
O=C(NCc1cccc(OCc2ccccc2)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852337146	GG	On-Demand	Anodyne	SLC6A5	20	40
O=C(NCc1cccc(OCc2ccccc2)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852337146	GG	On-Demand	Anodyne	NPSR1	26	41
Cn1ncc(CNC(=O)N[C@H]2CCCCc3cc(Br)ccc32)n1	ZINC000852337150	GF	On-Demand	Anodyne	BDKRB1	48	36
Cn1ncc(CNC(=O)N[C@@H]2CCCCc3cc(Br)ccc32)n1	ZINC000852337152	GF	On-Demand	Anodyne	BDKRB1	48	36
O=C(CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1)NNC(=O)C1CC1	ZINC000852337190	FB	On-Demand	Reactive	SIGMAR1	34	45
NS(=O)(=O)CCN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000852337227	EB	On-Demand	Anodyne	ALDH1A1	40	41
Cn1ncc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852337234	ED	On-Demand	Anodyne	SCD1	21	46
Cn1ncc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852337234	ED	On-Demand	Anodyne	SCD	30	42
Cn1ncc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852337234	ED	On-Demand	Anodyne	TRPM8	16	50
O=C1[C@@H]2CN(C[C@@H](O)c3ccc(F)cc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852337237	FD	On-Demand	Anodyne	SLC6A3	39	47
O=C1[C@@H]2CN(C[C@@H](O)c3ccc(F)cc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852337237	FD	On-Demand	Anodyne	SIGMAR1	19	51
O=C1[C@@H]2CN(C[C@H](O)c3ccc(F)cc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852337238	FD	On-Demand	Anodyne	SLC6A3	39	47
O=C1[C@@H]2CN(C[C@H](O)c3ccc(F)cc3)C[C@@H]2C(=O)N1Cc1ccccc1	ZINC000852337238	FD	On-Demand	Anodyne	SIGMAR1	19	51
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3(OC)CCOCC3)C2)cc1	ZINC000852337258	GC	On-Demand	Reactive	MMP13	33	43
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3(OC)CCOCC3)C2)cc1	ZINC000852337258	GC	On-Demand	Reactive	MMP3	20	42
Cc1nn(C)cc1CN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852337325	EF	On-Demand	Anodyne	ABL2	42	33
O=C(Nc1ccc2c(c1)CN(CCc1nsc3ccccc13)C2)C(F)(F)F	ZINC000852337401	GI	On-Demand	Anodyne	HTR1A	15	44
O=C(Nc1ccc2c(c1)CN(CCc1nsc3ccccc13)C2)C(F)(F)F	ZINC000852337401	GI	On-Demand	Anodyne	DRD2	17	44
O=C(Nc1ccc2c(c1)CN(C[C@H](O)c1cccnc1)C2)C(F)(F)F	ZINC000852337538	FF	On-Demand	Anodyne	ADRB3	62	39
O=C(Nc1ccc2c(c1)CN(C[C@@H](O)c1cccnc1)C2)C(F)(F)F	ZINC000852337539	FF	On-Demand	Anodyne	ADRB3	62	39
N#Cc1ccc(CCN2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1	ZINC000852337636	FH	On-Demand	Mild	KCNJ1	30	44
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN([C@@H](C)C(=O)Nc2cccnc2Cl)C1	ZINC000852337830	GF	On-Demand	Anodyne	G2YM83_BOTF4	44	32
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN([C@H](C)C(=O)Nc2cccnc2Cl)C1	ZINC000852337831	GF	On-Demand	Anodyne	G2YM83_BOTF4	44	32
COc1cccc(OC)c1CNC(=O)N[C@H]1CCC1(C)C	ZINC000852337861	CF	On-Demand	Anodyne	KCNA3	44	41
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCC1(C)C	ZINC000852337862	CF	On-Demand	Anodyne	KCNA3	44	41
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852337949	GF	On-Demand	Anodyne	HSD17B3	31	45
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-n3ccnc3)nc2)C1	ZINC000852337978	FE	On-Demand	Anodyne	NOS2	73	35
COc1ccc(NC(=O)[C@H](C)ON=C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1	ZINC000852338032	JG	On-Demand	Mild	MMP13	29	40
C=CCCCCCCNC(=O)N1CCN(c2ccc(OCC)nn2)CC1	ZINC000852338125	FF	On-Demand	Mild	SCD1	24	41
C=CCCCCCCNC(=O)N1CCN(c2ccc(OCC)nn2)CC1	ZINC000852338125	FF	On-Demand	Mild	SCD	16	41
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CCOC(=O)Cc2ccccc2)C1	ZINC000852338160	FE	On-Demand	Anodyne	SLC6A1	41	34
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CCOC(=O)Cc2ccccc2)C1	ZINC000852338160	FE	On-Demand	Anodyne	LTA4H	18	40
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(=O)oc3cc(OC)ccc23)C1	ZINC000852338290	GF	On-Demand	Anodyne	CYP11B1	17	41
COC(=O)c1ccc(CNC(=O)N[C@@H]2CCC2(C)C)c(F)c1	ZINC000852338386	DF	On-Demand	Anodyne	BDKRB1	28	43
COC(=O)c1ccc(CNC(=O)N[C@H]2CCC2(C)C)c(F)c1	ZINC000852338387	DF	On-Demand	Anodyne	BDKRB1	28	43
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CC[C@@H](O)c2ccccc2)C1	ZINC000852338440	EF	On-Demand	Anodyne	SLC6A3	40	41
COc1ccc(N2CC[C@H](NC(=O)NCCSC(C)C)C2)cc1	ZINC000852338483	EF	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCCSC(C)C)C2)cc1	ZINC000852338483	EF	On-Demand	Clean	MTNR1B	16	45
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CC(=O)Nc2cccnc2Cl)C1	ZINC000852338517	GE	On-Demand	Anodyne	G2YM83_BOTF4	57	32
COCCN(CCF)C(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2	ZINC000852338544	EF	On-Demand	Anodyne	ADAM9	44	31
Nn1c(SCC(=O)Nc2ccc(N3CCCCC3)nc2)nnc1-c1ccccc1Cl	ZINC000852338574	IG	On-Demand	Anodyne	DGAT1	35	42
Nn1c(SCC(=O)Nc2ccc(N3CCCCC3)nc2)nnc1-c1ccccc1Cl	ZINC000852338574	IG	On-Demand	Anodyne	SLC27A1	42	38
C=CCCCCCCNC(=O)NCC1SCCS1	ZINC000852338592	CG	On-Demand	Mild	EPHX2	19	40
N#Cc1ccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)nc1	ZINC000852338666	FG	On-Demand	Mild	SCD1	20	42
N#Cc1ccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)nc1	ZINC000852338666	FG	On-Demand	Mild	TRPM8	16	47
O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	ZINC000852338689	GE	On-Demand	Bother	KCNJ1	15	40
O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	ZINC000852338690	GE	On-Demand	Bother	KCNJ1	15	40
Cn1cc(CCNC(=O)N[C@H]2CCC2(C)C)c2ccccc21	ZINC000852338748	CG	On-Demand	Anodyne	MTNR1A	15	40
Cn1cc(CCNC(=O)N[C@@H]2CCC2(C)C)c2ccccc21	ZINC000852338749	CG	On-Demand	Anodyne	MTNR1A	15	40
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852338772	GE	On-Demand	Bother	CACNA1C	56	37
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852338772	GE	On-Demand	Bother	CACNA1D	82	37
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852338773	GE	On-Demand	Bother	CACNA1C	56	37
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852338773	GE	On-Demand	Bother	CACNA1D	82	37
CC(C)(C)OC(=O)NCCCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000852338875	GE	On-Demand	Anodyne	DRD2	23	47
CC(C)(C)OC(=O)NCCCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000852338875	GE	On-Demand	Anodyne	SIGMAR1	23	49
COc1ccc(OC)c([C@H](O)CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1	ZINC000852338885	GE	On-Demand	Anodyne	DRD4	22	41
COc1ccc(OC)c([C@H](O)CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1	ZINC000852338885	GE	On-Demand	Anodyne	SIGMAR1	17	41
C=CCCNC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C	ZINC000852338897	FH	On-Demand	Mild	AVPR2	15	45
COC(=O)[C@@H](c1ccc(C#N)cc1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000852338903	GE	On-Demand	Mild	CTRB_BOVIN	44	32
O[C@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)C1CC1	ZINC000852338907	DD	On-Demand	Anodyne	SIGMAR1	22	44
O[C@@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)C1CC1	ZINC000852338908	DD	On-Demand	Anodyne	SIGMAR1	22	44
CC(C)(C)OC(=O)NCCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000852338932	FE	On-Demand	Anodyne	SIGMAR1	26	45
N#Cc1ccc(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)nc1	ZINC000852338986	GG	On-Demand	Mild	CNR1	42	39
N#Cc1ccc(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)nc1	ZINC000852338986	GG	On-Demand	Mild	P2RY12	16	40
N#Cc1ccc(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)nc1	ZINC000852338986	GG	On-Demand	Mild	MC4R	41	35
N#Cc1ccc(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)nc1	ZINC000852338986	GG	On-Demand	Mild	CXCR3	30	44
COc1ccc(N2CC[C@H](NC(=O)NCCC3(F)CCC3)C2)cc1	ZINC000852339026	EF	On-Demand	Clean	MTNR1A	20	44
COc1ccc(N2CC[C@H](NC(=O)NCCC3(F)CCC3)C2)cc1	ZINC000852339026	EF	On-Demand	Clean	MTNR1B	18	44
O=C(CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)OCc1ccccc1	ZINC000852339047	FE	On-Demand	Anodyne	SLC12A5	48	33
O=C(CCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)C1CC1	ZINC000852339106	DD	On-Demand	Anodyne	CYP2J2	42	30
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N[C@H]3C=CCC3)cccc21	ZINC000852339168	FH	On-Demand	Anodyne	AVPR2	22	43
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N[C@@H]3C=CCC3)cccc21	ZINC000852339171	FH	On-Demand	Anodyne	AVPR2	22	43
COCC(C)(C)CCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852339174	DF	On-Demand	Reactive	F10	48	31
N#Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)nc1	ZINC000852339183	GE	On-Demand	Mild	SSTR3	31	45
CSc1ccc(NC(=O)[C@H](C)ON=C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852339216	JH	On-Demand	Mild	TGM2	55	38
CSc1ccc(NC(=O)[C@H](C)ON=C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852339216	JH	On-Demand	Mild	F13A1	77	38
CSc1ccc(NC(=O)[C@@H](C)ON=C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852339219	JH	On-Demand	Mild	TGM2	55	38
CSc1ccc(NC(=O)[C@@H](C)ON=C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852339219	JH	On-Demand	Mild	F13A1	77	38
O[C@@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)c1ccc(F)cc1	ZINC000852339232	FE	On-Demand	Anodyne	SLC6A3	29	45
O[C@@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)c1ccc(F)cc1	ZINC000852339232	FE	On-Demand	Anodyne	SIGMAR1	17	48
O[C@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)c1ccc(F)cc1	ZINC000852339233	FE	On-Demand	Anodyne	SLC6A3	29	45
O[C@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)c1ccc(F)cc1	ZINC000852339233	FE	On-Demand	Anodyne	SIGMAR1	17	48
N#Cc1ccc(CNC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc1	ZINC000852339257	GG	On-Demand	Mild	P2RY12	16	44
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852339285	JG	On-Demand	Anodyne	KCNQ2	23	46
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000852339286	JG	On-Demand	Anodyne	KCNQ2	23	46
C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1N)c1ccc2c(c1)OCCO2	ZINC000852339287	JG	On-Demand	Anodyne	KCNQ2	23	46
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000852339288	JG	On-Demand	Anodyne	KCNQ2	23	46
CC[C@@H](NC(=O)CON=C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1	ZINC000852339298	JH	On-Demand	Mild	MMP3	40	38
CC[C@@H](NC(=O)CON=C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1	ZINC000852339298	JH	On-Demand	Mild	MMP7	43	38
CC[C@H](NC(=O)CON=C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1	ZINC000852339299	JH	On-Demand	Mild	MMP3	40	38
CC[C@H](NC(=O)CON=C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1	ZINC000852339299	JH	On-Demand	Mild	MMP7	43	38
Fc1cc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cnc1Cl	ZINC000852339306	FF	On-Demand	Anodyne	DRD4	17	40
N#Cc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)nc1	ZINC000852339313	FG	On-Demand	Mild	KCNH2	40	38
N#Cc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)nc1	ZINC000852339313	FG	On-Demand	Mild	EPHX2	18	42
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N[C@H]3CCNC3=O)cccc21	ZINC000852339315	GE	On-Demand	Anodyne	AVPR2	18	40
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N[C@@H]3CCNC3=O)cccc21	ZINC000852339316	GE	On-Demand	Anodyne	AVPR2	18	40
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N3CC[C@H]4C[C@@H]4C3)cccc21	ZINC000852339330	GH	On-Demand	Anodyne	AVPR2	24	42
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N3CC[C@H]4C[C@@H]4C3)cccc21	ZINC000852339330	GH	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N3CC[C@@H]4C[C@@H]4C3)cccc21	ZINC000852339331	GH	On-Demand	Anodyne	AVPR2	24	42
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N3CC[C@@H]4C[C@@H]4C3)cccc21	ZINC000852339331	GH	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N3CC[C@H]4C[C@H]4C3)cccc21	ZINC000852339332	GH	On-Demand	Anodyne	AVPR2	24	42
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N3CC[C@H]4C[C@H]4C3)cccc21	ZINC000852339332	GH	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N3CC[C@@H]4C[C@H]4C3)cccc21	ZINC000852339333	GH	On-Demand	Anodyne	AVPR2	24	42
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)N3CC[C@@H]4C[C@H]4C3)cccc21	ZINC000852339333	GH	On-Demand	Anodyne	GPR119	25	41
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(Cl)n2)C1	ZINC000852339388	EF	On-Demand	Anodyne	PDE8B	44	32
N#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)nc1	ZINC000852339446	FE	On-Demand	Mild	ACHE	19	41
N#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)nc1	ZINC000852339446	FE	On-Demand	Mild	SIGMAR1	19	44
N#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)nc1	ZINC000852339446	FE	On-Demand	Mild	CCR3	22	40
N#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)nc1	ZINC000852339446	FE	On-Demand	Mild	CACNA1I	37	40
O=C(Cc1ccccc1)OCCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000852339491	GE	On-Demand	Anodyne	SIGMAR1	24	42
O[C@@H](CCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1	ZINC000852339526	FF	On-Demand	Anodyne	SLC6A3	15	45
O[C@H](CCN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1	ZINC000852339527	FF	On-Demand	Anodyne	SLC6A3	15	45
O=c1cc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c2ccc(O)cc2o1	ZINC000852339556	GF	On-Demand	Anodyne	MAOB	15	42
O=c1cc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c2ccc(O)cc2o1	ZINC000852339556	GF	On-Demand	Anodyne	HSD17B3	29	50
O=C(CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)Nc1ccc(O)cc1	ZINC000852339575	FD	On-Demand	Anodyne	LTA4H	17	41
O=C(CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)Nc1ccc(O)cc1	ZINC000852339575	FD	On-Demand	Anodyne	SIGMAR1	15	40
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)NCc3ncccn3)cccc21	ZINC000852339584	GG	On-Demand	Anodyne	AVPR2	18	46
FCc1ccc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	ZINC000852339585	EG	On-Demand	Anodyne	DRD4	16	44
CC(=O)Oc1ccc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	ZINC000852339631	FF	On-Demand	Anodyne	DRD4	31	43
CC(=O)Oc1ccc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	ZINC000852339631	FF	On-Demand	Anodyne	SIGMAR1	44	42
c1ccc(CN2CCO[C@H]3CN(CCC4OCCCO4)C[C@H]32)cc1	ZINC000852339724	ED	On-Demand	Anodyne	SIGMAR1	16	42
C[C@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)NC(=O)OC(C)(C)C	ZINC000852339862	GE	On-Demand	Anodyne	PGC	50	35
C[C@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)NC(=O)OC(C)(C)C	ZINC000852339862	GE	On-Demand	Anodyne	REN	46	38
C[C@H](CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)NC(=O)OC(C)(C)C	ZINC000852339862	GE	On-Demand	Anodyne	FPR1	46	37
C[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1nccn1-c1ccccc1	ZINC000852339895	GF	On-Demand	Anodyne	CALCRL	35	40
O=C(CN1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)NNC(=O)C1CC1	ZINC000852339902	FC	On-Demand	Reactive	SIGMAR1	25	41
O=C(NCCC1SCCS1)NCc1cc(F)c(C(F)(F)F)cc1F	ZINC000852339949	GH	On-Demand	Anodyne	TRPV1	42	33
N#Cc1ccc(CNC(=O)NCC2CCN(CC3CC3)CC2)nc1	ZINC000852340005	ED	On-Demand	Mild	CACNA1I	42	33
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(C#N)cn1	ZINC000852340014	CF	On-Demand	Mild	CTRB_BOVIN	45	31
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(CC(=O)OCc2ccccc2)C1	ZINC000852340045	FE	On-Demand	Anodyne	SLC12A5	45	34
c1ccc(CN2CCO[C@H]3CN(CCN4CCCC4)C[C@H]32)cc1	ZINC000852340054	DD	On-Demand	Anodyne	SIGMAR1	38	42
N#Cc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)nc1	ZINC000852340057	ED	On-Demand	Mild	SCN2A	18	45
N#Cc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)nc1	ZINC000852340057	ED	On-Demand	Mild	SCN10A	20	47
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852340072	GG	On-Demand	Anodyne	CCR2	52	34
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852340073	GG	On-Demand	Anodyne	CCR2	52	34
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@](C)(O)c2ccccc2)C1	ZINC000852340120	EF	On-Demand	Anodyne	CHRM1	15	40
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@](C)(O)c2ccccc2)C1	ZINC000852340120	EF	On-Demand	Anodyne	CHRM3	23	40
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@](C)(O)c2ccccc2)C1	ZINC000852340121	EF	On-Demand	Anodyne	CHRM1	15	40
COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C[C@@](C)(O)c2ccccc2)C1	ZINC000852340121	EF	On-Demand	Anodyne	CHRM3	23	40
Cn1nncc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852340140	ED	On-Demand	Anodyne	SCD1	18	43
Cn1nncc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852340140	ED	On-Demand	Anodyne	SCD	29	41
Cn1nncc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852340140	ED	On-Demand	Anodyne	TRPM8	17	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cnnn3C)C2)cc1	ZINC000852340159	EC	On-Demand	Clean	NPBWR1	56	32
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340170	FH	On-Demand	Anodyne	KCNQ2	21	40
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340170	FH	On-Demand	Anodyne	ACACA	28	43
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340170	FH	On-Demand	Anodyne	ACACB	30	41
Cn1nncc1CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852340191	DC	On-Demand	Anodyne	SIGMAR1	21	40
Cn1nncc1CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852340192	DC	On-Demand	Anodyne	SIGMAR1	21	40
CC(C)c1ccc2c(c1)CN(C(=O)NCc1ccc(C#N)cn1)CC2	ZINC000852340254	EG	On-Demand	Mild	MAPK1	46	38
NC(=O)COc1ccc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1	ZINC000852340287	GD	On-Demand	Anodyne	LTA4H	43	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(C#N)cn1	ZINC000852340325	EF	On-Demand	Mild	P2RX7	18	44
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(C#N)cn1	ZINC000852340326	EF	On-Demand	Mild	P2RX7	18	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(F)(F)F)C2)cc1	ZINC000852340371	EF	On-Demand	Clean	EPHX2	38	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(F)(F)F)C2)cc1	ZINC000852340371	EF	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(F)(F)F)C2)cc1	ZINC000852340372	EF	On-Demand	Clean	EPHX2	38	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(F)(F)F)C2)cc1	ZINC000852340372	EF	On-Demand	Clean	MCHR1	17	41
C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C1CCOCC1	ZINC000852340392	GH	On-Demand	Mild	ACACA	30	40
C#C[C@@H](NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C1CCOCC1	ZINC000852340392	GH	On-Demand	Mild	ACACB	35	40
C#C[C@H](NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1)C1CCOCC1	ZINC000852340393	GH	On-Demand	Mild	ACACA	30	40
C#C[C@H](NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1)C1CCOCC1	ZINC000852340393	GH	On-Demand	Mild	ACACB	35	40
C#C[C@@H](NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1)C1CCOCC1	ZINC000852340394	GH	On-Demand	Mild	ACACA	30	40
C#C[C@@H](NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1)C1CCOCC1	ZINC000852340394	GH	On-Demand	Mild	ACACB	35	40
C#C[C@H](NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C1CCOCC1	ZINC000852340395	GH	On-Demand	Mild	ACACA	30	40
C#C[C@H](NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1)C1CCOCC1	ZINC000852340395	GH	On-Demand	Mild	ACACB	35	40
Cn1nncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852340433	EC	On-Demand	Anodyne	ACHE	24	43
Cn1nncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852340433	EC	On-Demand	Anodyne	HTR4	45	39
Cn1nncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852340433	EC	On-Demand	Anodyne	SIGMAR1	21	40
Cn1nncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852340433	EC	On-Demand	Anodyne	CCR3	24	45
Cn1nncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852340433	EC	On-Demand	Anodyne	CACNA1I	63	41
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(F)(F)F	ZINC000852340456	EG	On-Demand	Anodyne	KCNJ11	88	36
C[C@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(F)(F)F	ZINC000852340456	EG	On-Demand	Anodyne	SOAT1	26	40
C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(F)(F)F	ZINC000852340458	EG	On-Demand	Anodyne	KCNJ11	88	36
C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(F)(F)F	ZINC000852340458	EG	On-Demand	Anodyne	SOAT1	26	40
C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(F)(F)F	ZINC000852340459	EG	On-Demand	Anodyne	KCNJ11	88	36
C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(F)(F)F	ZINC000852340459	EG	On-Demand	Anodyne	SOAT1	26	40
O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)NCC1(c2ccccc2)CCCC1	ZINC000852340461	IF	On-Demand	Anodyne	KCNA3	42	37
Cn1nncc1CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852340466	DC	On-Demand	Anodyne	CACNA1I	58	37
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cnnn1C	ZINC000852340505	DD	On-Demand	Anodyne	P2RX7	37	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cnnn1C	ZINC000852340506	DD	On-Demand	Anodyne	P2RX7	37	40
CC(C)c1ccc2c(c1)CN(C(=O)NCc1cnnn1C)CC2	ZINC000852340507	DE	On-Demand	Anodyne	MAPK1	45	38
COc1cccc([C@]2(C)CCN(C(=O)NCc3cnnn3C)C2)c1	ZINC000852340555	ED	On-Demand	Anodyne	DRD4	42	32
COc1cccc([C@]2(C)CCN(C(=O)NCc3cnnn3C)C2)c1	ZINC000852340555	ED	On-Demand	Anodyne	EPHX2	15	40
CC[C@@H](NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1	ZINC000852340571	IG	On-Demand	Anodyne	UTS2	43	34
CC[C@H](NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1	ZINC000852340572	IG	On-Demand	Anodyne	UTS2	43	34
Cn1nncc1CNC(=O)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852340619	GF	On-Demand	Anodyne	BDKRB1	44	35
Cn1nncc1CNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852340620	GF	On-Demand	Anodyne	BDKRB1	44	35
O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCC2)nc1	ZINC000852340654	IE	On-Demand	Anodyne	DGAT1	38	40
Cn1nncc1CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852340661	FD	On-Demand	Anodyne	SSTR3	33	47
Cn1nncc1CNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852340665	DE	On-Demand	Anodyne	P2RX7	15	41
Cn1nncc1CNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852340665	DE	On-Demand	Anodyne	DNAE	85	35
Cn1nncc1CNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852340665	DE	On-Demand	Anodyne	RPA1	44	31
Cn1nncc1CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852340673	FE	On-Demand	Anodyne	RPA1	40	30
Cn1nncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852340690	FE	On-Demand	Anodyne	CNR1	52	32
Cn1nncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852340690	FE	On-Demand	Anodyne	DRD1	42	35
Cn1nncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852340690	FE	On-Demand	Anodyne	P2RY12	15	41
Cn1nncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852340690	FE	On-Demand	Anodyne	MC4R	76	37
Cn1nncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852340690	FE	On-Demand	Anodyne	CXCR3	24	41
CCC(CC)(CNC(=O)NCc1cnnn1C)c1ccc(F)cc1	ZINC000852340721	EF	On-Demand	Anodyne	CACNA1G	37	43
Cn1nncc1CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852340751	FE	On-Demand	Anodyne	P2RY14	44	35
Cc1c(NC(=O)[C@@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-]	ZINC000852340752	IE	On-Demand	Bother	COLA	80	42
Cc1c(NC(=O)[C@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-]	ZINC000852340753	IE	On-Demand	Bother	COLA	80	42
C[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852340754	EG	On-Demand	Anodyne	ADRB2	15	41
C[C@@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852340754	EG	On-Demand	Anodyne	ADRB1	17	53
C[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852340755	EG	On-Demand	Anodyne	ADRB2	15	41
C[C@@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852340755	EG	On-Demand	Anodyne	ADRB1	17	53
C[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852340757	EG	On-Demand	Anodyne	ADRB2	15	41
C[C@H](NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C(F)(F)F	ZINC000852340757	EG	On-Demand	Anodyne	ADRB1	17	53
Cn1nncc1CNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852340768	DC	On-Demand	Anodyne	CCR3	47	38
Cn1nncc1CNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852340769	DC	On-Demand	Anodyne	CCR3	47	38
C[C@@H](NC(=O)NCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340772	GI	On-Demand	Anodyne	KCNA5	17	45
C[C@@H](NC(=O)NCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340772	GI	On-Demand	Anodyne	ACACA	34	42
C[C@@H](NC(=O)NCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340772	GI	On-Demand	Anodyne	ACACB	39	42
C[C@H](NC(=O)NCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340773	GI	On-Demand	Anodyne	KCNA5	17	45
C[C@H](NC(=O)NCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340773	GI	On-Demand	Anodyne	ACACA	34	42
C[C@H](NC(=O)NCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340773	GI	On-Demand	Anodyne	ACACB	39	42
Cn1nncc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852340776	EE	On-Demand	Anodyne	SLC6A3	20	45
Cn1nncc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852340776	EE	On-Demand	Anodyne	KCNH2	40	40
Cn1nncc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852340776	EE	On-Demand	Anodyne	EPHX2	15	40
Cn1nncc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852340776	EE	On-Demand	Anodyne	GLRA1	44	34
Cn1nncc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852340810	DC	On-Demand	Anodyne	SCN2A	19	46
Cn1nncc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852340810	DC	On-Demand	Anodyne	SCN10A	20	46
CC(C)(C)OC(=O)NCC12CC(CN1C(=O)NCc1noc3c1CCCC3)C2	ZINC000852340814	GF	On-Demand	Anodyne	PANC	45	33
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340826	FF	On-Demand	Anodyne	KCNA5	17	43
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340826	FF	On-Demand	Anodyne	ACACA	27	41
COC(=O)N(C)CCNC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340826	FF	On-Demand	Anodyne	ACACB	29	41
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340827	FF	On-Demand	Anodyne	KCNA5	17	43
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340827	FF	On-Demand	Anodyne	ACACA	27	41
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000852340827	FF	On-Demand	Anodyne	ACACB	29	41
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1c2ccccc2Sc2ccccc21	ZINC000852340877	JI	On-Demand	Anodyne	BCHE	16	47
C[C@H](NC(=O)NCCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340915	GI	On-Demand	Anodyne	KCNA5	16	43
C[C@H](NC(=O)NCCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340915	GI	On-Demand	Anodyne	ACACA	33	41
C[C@H](NC(=O)NCCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340915	GI	On-Demand	Anodyne	ACACB	35	41
C[C@@H](NC(=O)NCCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340916	GI	On-Demand	Anodyne	KCNA5	16	43
C[C@@H](NC(=O)NCCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340916	GI	On-Demand	Anodyne	ACACA	33	41
C[C@@H](NC(=O)NCCC1SCCS1)c1ccc(Oc2cccnc2)cc1	ZINC000852340916	GI	On-Demand	Anodyne	ACACB	35	41
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3ccc(C)cc3F)CC2)cc1	ZINC000852340989	JG	On-Demand	Mild	LPL	42	33
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3ccc(C)cc3F)CC2)cc1	ZINC000852340989	JG	On-Demand	Mild	TGM2	52	36
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3ccc(C)cc3F)CC2)cc1	ZINC000852340989	JG	On-Demand	Mild	F13A1	68	37
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3ccc(C)cc3F)CC2)cc1	ZINC000852340990	JG	On-Demand	Mild	LPL	42	33
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3ccc(C)cc3F)CC2)cc1	ZINC000852340990	JG	On-Demand	Mild	TGM2	52	36
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3ccc(C)cc3F)CC2)cc1	ZINC000852340990	JG	On-Demand	Mild	F13A1	68	37
C#C[C@H](NC(=O)NC[C@](C)(COCc1ccccc1)OC)C(C)(C)C	ZINC000852340991	EF	On-Demand	Mild	PAPA1_CARPA	48	37
C#C[C@H](NC(=O)NC[C@@](C)(COCc1ccccc1)OC)C(C)(C)C	ZINC000852340992	EF	On-Demand	Mild	PAPA1_CARPA	48	37
C#C[C@@H](NC(=O)NC[C@@](C)(COCc1ccccc1)OC)C(C)(C)C	ZINC000852340993	EF	On-Demand	Mild	PAPA1_CARPA	48	37
C#C[C@@H](NC(=O)NC[C@](C)(COCc1ccccc1)OC)C(C)(C)C	ZINC000852340994	EF	On-Demand	Mild	PAPA1_CARPA	48	37
C[C@H](CCOCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852341003	EC	On-Demand	Reactive	PAPA1_CARPA	44	34
C[C@H](CCOCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852341003	EC	On-Demand	Reactive	CAPN2	43	34
C[C@H](CCOCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852341003	EC	On-Demand	Reactive	NPR	50	31
C[C@@H](CCOCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852341004	EC	On-Demand	Reactive	PAPA1_CARPA	44	34
C[C@@H](CCOCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852341004	EC	On-Demand	Reactive	CAPN2	43	34
C[C@@H](CCOCc1ccccc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852341004	EC	On-Demand	Reactive	NPR	50	31
C[C@@H](CCOCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852341046	FG	On-Demand	Anodyne	CAPN1	45	32
C[C@@H](CCOCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852341046	FG	On-Demand	Anodyne	CAPN2	69	32
C[C@H](CCOCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852341047	FG	On-Demand	Anodyne	CAPN1	45	32
C[C@H](CCOCc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852341047	FG	On-Demand	Anodyne	CAPN2	69	32
C[C@@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341067	DE	On-Demand	Anodyne	ANPEP	21	41
C[C@@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341067	DE	On-Demand	Anodyne	CAPNS1	58	33
C[C@@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341067	DE	On-Demand	Anodyne	CAPN1	68	39
C[C@@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341067	DE	On-Demand	Anodyne	CAPN2	89	39
C[C@@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341067	DE	On-Demand	Anodyne	NPR	51	31
C[C@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341068	DE	On-Demand	Anodyne	ANPEP	21	41
C[C@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341068	DE	On-Demand	Anodyne	CAPNS1	58	33
C[C@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341068	DE	On-Demand	Anodyne	CAPN1	68	39
C[C@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341068	DE	On-Demand	Anodyne	CAPN2	89	39
C[C@H](CCOCc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852341068	DE	On-Demand	Anodyne	NPR	51	31
C#C[C@H](NC(=O)NCCc1ccnc2ccccc12)C(C)(C)C	ZINC000852341078	DG	On-Demand	Mild	MTNR1A	20	42
C#C[C@@H](NC(=O)NCCc1ccnc2ccccc12)C(C)(C)C	ZINC000852341079	DG	On-Demand	Mild	MTNR1A	20	42
C[C@H](CCOCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852341123	CF	On-Demand	Anodyne	CAPN1	41	34
C[C@@H](CCOCc1ccccc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852341124	CF	On-Demand	Anodyne	CAPN1	41	34
C[C@@H](CCOCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852341125	CF	On-Demand	Anodyne	CAPN1	41	34
C[C@H](CCOCc1ccccc1)NC(=O)N[C@H]1C=CCC1	ZINC000852341126	CF	On-Demand	Anodyne	CAPN1	41	34
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1	ZINC000852341151	JG	On-Demand	Mild	LPL	43	33
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1	ZINC000852341151	JG	On-Demand	Mild	TGM2	57	39
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1	ZINC000852341151	JG	On-Demand	Mild	F13A1	83	39
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1	ZINC000852341152	JG	On-Demand	Mild	LPL	43	33
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1	ZINC000852341152	JG	On-Demand	Mild	TGM2	57	39
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1	ZINC000852341152	JG	On-Demand	Mild	F13A1	83	39
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccc(-n4cccn4)cc3)CC2)cc1	ZINC000852341158	JG	On-Demand	Mild	TGM2	59	39
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccc(-n4cccn4)cc3)CC2)cc1	ZINC000852341158	JG	On-Demand	Mild	F13A1	82	39
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccc(-n4cccn4)cc3)CC2)cc1	ZINC000852341158	JG	On-Demand	Mild	NAMPT	41	38
C[C@H](C(=O)Nc1cccnc1Cl)N1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852341172	GD	On-Demand	Anodyne	G2YM83_BOTF4	51	33
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)NCc3ccccc3C)CC2)cc1	ZINC000852341217	JF	On-Demand	Mild	LPL	42	31
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)NCc3ccccc3C)CC2)cc1	ZINC000852341217	JF	On-Demand	Mild	TGM2	60	47
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)NCc3ccccc3C)CC2)cc1	ZINC000852341217	JF	On-Demand	Mild	F13A1	83	47
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)NCc3ccccc3C)CC2)cc1	ZINC000852341217	JF	On-Demand	Mild	NAMPT	27	46
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)NCc3ccccc3C)CC2)cc1	ZINC000852341218	JF	On-Demand	Mild	LPL	42	31
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)NCc3ccccc3C)CC2)cc1	ZINC000852341218	JF	On-Demand	Mild	TGM2	60	47
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)NCc3ccccc3C)CC2)cc1	ZINC000852341218	JF	On-Demand	Mild	F13A1	83	47
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)NCc3ccccc3C)CC2)cc1	ZINC000852341218	JF	On-Demand	Mild	NAMPT	27	46
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOC/C=C\c3ccccc3)CC2)cc1	ZINC000852341240	IH	On-Demand	Mild	TGM2	72	41
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOC/C=C\c3ccccc3)CC2)cc1	ZINC000852341240	IH	On-Demand	Mild	F13A1	97	41
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	DRD4	38	46
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	ACHE	21	41
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	CHRM3	19	41
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	SIGMAR1	31	46
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	SSTR5	41	34
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	CCR3	26	40
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	PDE2A	26	40
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	MCHR1	21	49
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341246	JG	On-Demand	Anodyne	BIRC2	38	44
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	DRD4	38	46
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	ACHE	21	41
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	CHRM3	19	41
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	SIGMAR1	31	46
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	SSTR5	41	34
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	CCR3	26	40
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	PDE2A	26	40
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	MCHR1	21	49
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852341247	JG	On-Demand	Anodyne	BIRC2	38	44
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	DRD4	38	46
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	ACHE	21	41
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	CHRM3	19	41
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	SIGMAR1	31	46
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	SSTR5	41	34
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	CCR3	26	40
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	PDE2A	26	40
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	MCHR1	21	49
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341248	JG	On-Demand	Anodyne	BIRC2	38	44
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	DRD4	38	46
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	ACHE	21	41
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	CHRM3	19	41
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	SIGMAR1	31	46
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	SSTR5	41	34
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	CCR3	26	40
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	PDE2A	26	40
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	MCHR1	21	49
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852341249	JG	On-Demand	Anodyne	BIRC2	38	44
O=C(NCc1ncccn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341268	FC	On-Demand	Anodyne	EPHX2	30	47
O=C(NCc1ncccn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341268	FC	On-Demand	Anodyne	TGM2	56	46
O=C(NCc1ncccn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341268	FC	On-Demand	Anodyne	F13A1	38	46
O=C(NCc1ncccn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341268	FC	On-Demand	Anodyne	NAMPT	72	41
C[C@H](CCOCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852341269	EG	On-Demand	Anodyne	CAPN1	49	33
C[C@H](CCOCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852341269	EG	On-Demand	Anodyne	CAPN2	66	33
C[C@@H](CCOCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852341270	EG	On-Demand	Anodyne	CAPN1	49	33
C[C@@H](CCOCc1ccccc1)NC(=O)NCC1SCCS1	ZINC000852341270	EG	On-Demand	Anodyne	CAPN2	66	33
C#C[C@H](NC(=O)NCCc1ccc(C#N)cc1)C(C)(C)C	ZINC000852341271	CE	On-Demand	Mild	CTRB_BOVIN	47	39
C#C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(C)(C)C	ZINC000852341272	CE	On-Demand	Mild	CTRB_BOVIN	47	39
CCCCCCCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852341279	DF	On-Demand	Mild	CES2	42	33
CCCCCCCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852341279	DF	On-Demand	Mild	EST1_PIG	51	33
CCCCCCCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852341279	DF	On-Demand	Mild	CES2C	45	33
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)C(C)(C)C	ZINC000852341291	DF	On-Demand	Mild	DRD5	15	40
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)C(C)(C)C	ZINC000852341292	DF	On-Demand	Mild	DRD5	15	40
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341293	GD	On-Demand	Reactive	EPHX2	15	44
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341293	GD	On-Demand	Reactive	TGM2	39	43
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341293	GD	On-Demand	Reactive	F13A1	22	43
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341293	GD	On-Demand	Reactive	GCKR	49	34
C#C[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852341314	DD	On-Demand	Mild	PYGL	34	48
C#C[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852341314	DD	On-Demand	Mild	PYGM	31	48
C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852341315	DD	On-Demand	Mild	PYGL	34	48
C#C[C@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852341315	DD	On-Demand	Mild	PYGM	31	48
C#C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852341316	DD	On-Demand	Mild	PYGL	34	48
C#C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852341316	DD	On-Demand	Mild	PYGM	31	48
C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852341317	DD	On-Demand	Mild	PYGL	34	48
C#C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)C(C)(C)C	ZINC000852341317	DD	On-Demand	Mild	PYGM	31	48
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852341331	GD	On-Demand	Anodyne	EPHX2	18	46
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852341331	GD	On-Demand	Anodyne	TGM2	40	47
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852341331	GD	On-Demand	Anodyne	F13A1	28	47
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852341332	GD	On-Demand	Anodyne	EPHX2	18	46
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852341332	GD	On-Demand	Anodyne	TGM2	40	47
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852341332	GD	On-Demand	Anodyne	F13A1	28	47
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341356	GC	On-Demand	Anodyne	EPHX2	18	43
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341356	GC	On-Demand	Anodyne	TGM2	43	46
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341356	GC	On-Demand	Anodyne	F13A1	25	45
C[C@@H](CCOCc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852341369	GF	On-Demand	Anodyne	CTSS	24	41
C[C@H](CCOCc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852341370	GF	On-Demand	Anodyne	CTSS	24	41
O=C(NCC1SCCS1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341396	GD	On-Demand	Anodyne	EPHX2	22	45
O=C(NCC1SCCS1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341396	GD	On-Demand	Anodyne	TGM2	50	46
O=C(NCC1SCCS1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341396	GD	On-Demand	Anodyne	F13A1	32	46
C#C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)(C)C	ZINC000852341409	DF	On-Demand	Mild	SIGMAR1	18	40
C#C[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)(C)C	ZINC000852341410	DF	On-Demand	Mild	SIGMAR1	18	40
C#C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)(C)C	ZINC000852341411	DF	On-Demand	Mild	SIGMAR1	18	40
C#C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)(C)C	ZINC000852341412	DF	On-Demand	Mild	SIGMAR1	18	40
CCCCCCCCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852341421	EG	On-Demand	Mild	CES2	42	33
CCCCCCCCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852341421	EG	On-Demand	Mild	EST1_PIG	51	33
CCCCCCCCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1	ZINC000852341421	EG	On-Demand	Mild	CES2C	45	33
C[C@H](CCOCc1ccccc1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852341422	EG	On-Demand	Reactive	CAPN2	44	30
C[C@@H](CCOCc1ccccc1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852341423	EG	On-Demand	Reactive	CAPN2	44	30
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)(C)C	ZINC000852341434	DF	On-Demand	Mild	TRPV1	24	40
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)(C)C	ZINC000852341434	DF	On-Demand	Mild	SCN2A	18	43
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)(C)C	ZINC000852341434	DF	On-Demand	Mild	SCN10A	32	43
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)(C)C	ZINC000852341435	DF	On-Demand	Mild	TRPV1	24	40
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)(C)C	ZINC000852341435	DF	On-Demand	Mild	SCN2A	18	43
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)C(C)(C)C	ZINC000852341435	DF	On-Demand	Mild	SCN10A	32	43
C#C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)C(C)(C)C	ZINC000852341503	GF	On-Demand	Mild	SFRP1	87	34
C#C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)C(C)(C)C	ZINC000852341503	GF	On-Demand	Mild	WNT3	72	34
C#C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)C(C)(C)C	ZINC000852341504	GF	On-Demand	Mild	SFRP1	87	34
C#C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)C(C)(C)C	ZINC000852341504	GF	On-Demand	Mild	WNT3	72	34
C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)C(C)(C)C	ZINC000852341505	GF	On-Demand	Mild	SFRP1	87	34
C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)C(C)(C)C	ZINC000852341505	GF	On-Demand	Mild	WNT3	72	34
C#C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)C(C)(C)C	ZINC000852341506	GF	On-Demand	Mild	SFRP1	87	34
C#C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)C(C)(C)C	ZINC000852341506	GF	On-Demand	Mild	WNT3	72	34
C[C@@H](CCOCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852341531	GD	On-Demand	Reactive	CTRA_BOVIN	62	33
C[C@@H](CCOCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852341531	GD	On-Demand	Reactive	CTSG	42	33
C[C@@H](CCOCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852341531	GD	On-Demand	Reactive	CELA2A	51	33
C[C@H](CCOCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852341532	GD	On-Demand	Reactive	CTRA_BOVIN	62	33
C[C@H](CCOCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852341532	GD	On-Demand	Reactive	CTSG	42	33
C[C@H](CCOCc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852341532	GD	On-Demand	Reactive	CELA2A	51	33
C#C[C@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)C(C)(C)C	ZINC000852341575	EE	On-Demand	Mild	CACNA1I	42	33
C#C[C@@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)C(C)(C)C	ZINC000852341576	EE	On-Demand	Mild	CACNA1I	42	33
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1	ZINC000852341577	JG	On-Demand	Mild	TGM2	63	38
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1	ZINC000852341577	JG	On-Demand	Mild	F13A1	87	38
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1	ZINC000852341578	JG	On-Demand	Mild	TGM2	63	38
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1	ZINC000852341578	JG	On-Demand	Mild	F13A1	87	38
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)(C)C	ZINC000852341619	EH	On-Demand	Mild	KCNH2	40	38
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)(C)C	ZINC000852341619	EH	On-Demand	Mild	GLRA1	44	33
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)(C)C	ZINC000852341620	EH	On-Demand	Mild	KCNH2	40	38
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(C)(C)C	ZINC000852341620	EH	On-Demand	Mild	GLRA1	44	33
C[C@H](CCOCc1ccccc1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852341628	GG	On-Demand	Anodyne	CAPN1	42	37
C[C@H](CCOCc1ccccc1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852341628	GG	On-Demand	Anodyne	CAPN2	66	37
C[C@H](CCOCc1ccccc1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852341629	GG	On-Demand	Anodyne	CAPN1	42	37
C[C@H](CCOCc1ccccc1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852341629	GG	On-Demand	Anodyne	CAPN2	66	37
C[C@@H](CCOCc1ccccc1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852341630	GG	On-Demand	Anodyne	CAPN1	42	37
C[C@@H](CCOCc1ccccc1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852341630	GG	On-Demand	Anodyne	CAPN2	66	37
C[C@@H](CCOCc1ccccc1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852341631	GG	On-Demand	Anodyne	CAPN1	42	37
C[C@@H](CCOCc1ccccc1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852341631	GG	On-Demand	Anodyne	CAPN2	66	37
C#C[C@H](NC(=O)NCc1ccc(C(=O)OC)cc1F)C(C)(C)C	ZINC000852341664	DE	On-Demand	Mild	BDKRB1	26	42
C#C[C@@H](NC(=O)NCc1ccc(C(=O)OC)cc1F)C(C)(C)C	ZINC000852341665	DE	On-Demand	Mild	BDKRB1	26	42
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)C(C)(C)C	ZINC000852341670	DE	On-Demand	Mild	CACNA1I	58	37
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)C(C)(C)C	ZINC000852341671	DE	On-Demand	Mild	CACNA1I	58	37
C#C[C@@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)C(C)(C)C	ZINC000852341717	ED	On-Demand	Mild	TRPV1	20	40
C#C[C@H](NC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)C(C)(C)C	ZINC000852341718	ED	On-Demand	Mild	TRPV1	20	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCOCc1ccccc1	ZINC000852341722	ED	On-Demand	Anodyne	KLK3	60	31
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCOCc1ccccc1	ZINC000852341722	ED	On-Demand	Anodyne	CAPNS1	43	32
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCOCc1ccccc1	ZINC000852341722	ED	On-Demand	Anodyne	CAPN1	47	37
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCOCc1ccccc1	ZINC000852341722	ED	On-Demand	Anodyne	CAPN2	67	32
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCOCc1ccccc1	ZINC000852341722	ED	On-Demand	Anodyne	NPR	67	33
COC(=O)N(C)CCNC(=O)N[C@H](C)CCOCc1ccccc1	ZINC000852341723	ED	On-Demand	Anodyne	KLK3	60	31
COC(=O)N(C)CCNC(=O)N[C@H](C)CCOCc1ccccc1	ZINC000852341723	ED	On-Demand	Anodyne	CAPNS1	43	32
COC(=O)N(C)CCNC(=O)N[C@H](C)CCOCc1ccccc1	ZINC000852341723	ED	On-Demand	Anodyne	CAPN1	47	37
COC(=O)N(C)CCNC(=O)N[C@H](C)CCOCc1ccccc1	ZINC000852341723	ED	On-Demand	Anodyne	CAPN2	67	32
COC(=O)N(C)CCNC(=O)N[C@H](C)CCOCc1ccccc1	ZINC000852341723	ED	On-Demand	Anodyne	NPR	67	33
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1	ZINC000852341743	JG	On-Demand	Mild	LPL	42	32
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1	ZINC000852341743	JG	On-Demand	Mild	TGM2	52	36
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1	ZINC000852341743	JG	On-Demand	Mild	F13A1	69	37
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1	ZINC000852341744	JG	On-Demand	Mild	LPL	42	32
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1	ZINC000852341744	JG	On-Demand	Mild	TGM2	52	36
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NO[C@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1	ZINC000852341744	JG	On-Demand	Mild	F13A1	69	37
C#C[C@@H](NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C1CCOCC1	ZINC000852341772	GD	On-Demand	Mild	TGM2	26	43
C#C[C@H](NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)C1CCOCC1	ZINC000852341773	GD	On-Demand	Mild	TGM2	26	43
C#C[C@@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)C(C)(C)C	ZINC000852341800	DF	On-Demand	Mild	SFRP1	102	39
C#C[C@@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)C(C)(C)C	ZINC000852341800	DF	On-Demand	Mild	WNT3	77	39
C#C[C@@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)C(C)(C)C	ZINC000852341801	DF	On-Demand	Mild	SFRP1	102	39
C#C[C@@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)C(C)(C)C	ZINC000852341801	DF	On-Demand	Mild	WNT3	77	39
C#C[C@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)C(C)(C)C	ZINC000852341802	DF	On-Demand	Mild	SFRP1	102	39
C#C[C@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)C(C)(C)C	ZINC000852341802	DF	On-Demand	Mild	WNT3	77	39
C#C[C@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)C(C)(C)C	ZINC000852341803	DF	On-Demand	Mild	SFRP1	102	39
C#C[C@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)C(C)(C)C	ZINC000852341803	DF	On-Demand	Mild	WNT3	77	39
C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852341843	II	On-Demand	Anodyne	KCNQ2	17	44
C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852341844	II	On-Demand	Anodyne	KCNQ2	17	44
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852341865	ED	On-Demand	Anodyne	EPHX2	23	49
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852341865	ED	On-Demand	Anodyne	TGM2	54	48
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852341865	ED	On-Demand	Anodyne	F13A1	40	48
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852341865	ED	On-Demand	Anodyne	AKR1C3	17	40
O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852341865	ED	On-Demand	Anodyne	SFRP1	27	40
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341866	ED	On-Demand	Anodyne	EPHX2	23	49
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341866	ED	On-Demand	Anodyne	TGM2	54	48
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341866	ED	On-Demand	Anodyne	F13A1	40	48
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341866	ED	On-Demand	Anodyne	AKR1C3	17	40
O=C(N[C@@H]1C=CCC1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000852341866	ED	On-Demand	Anodyne	SFRP1	27	40
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)(C)C	ZINC000852341878	EF	On-Demand	Mild	ACHE	38	45
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)(C)C	ZINC000852341878	EF	On-Demand	Mild	HTR4	40	41
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)(C)C	ZINC000852341878	EF	On-Demand	Mild	SIGMAR1	21	42
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)(C)C	ZINC000852341878	EF	On-Demand	Mild	CACNA1I	71	41
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)(C)C	ZINC000852341879	EF	On-Demand	Mild	ACHE	38	45
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)(C)C	ZINC000852341879	EF	On-Demand	Mild	HTR4	40	41
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)(C)C	ZINC000852341879	EF	On-Demand	Mild	SIGMAR1	21	42
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C(C)(C)C	ZINC000852341879	EF	On-Demand	Mild	CACNA1I	71	41
C#C[C@H](NC(=O)N1CCc2nc(-c3ccccc3)sc2C1)C(C)(C)C	ZINC000852341892	FH	On-Demand	Mild	P2RY14	42	34
C#C[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)sc2C1)C(C)(C)C	ZINC000852341893	FH	On-Demand	Mild	P2RY14	42	34
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)(C)C	ZINC000852341908	EH	On-Demand	Mild	GHRHR	44	40
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)(C)C	ZINC000852341908	EH	On-Demand	Mild	SCD1	15	40
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)(C)C	ZINC000852341908	EH	On-Demand	Mild	SCD	26	40
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)(C)C	ZINC000852341908	EH	On-Demand	Mild	TRPM8	32	53
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)(C)C	ZINC000852341909	EH	On-Demand	Mild	GHRHR	44	40
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)(C)C	ZINC000852341909	EH	On-Demand	Mild	SCD1	15	40
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)(C)C	ZINC000852341909	EH	On-Demand	Mild	SCD	26	40
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)C(C)(C)C	ZINC000852341909	EH	On-Demand	Mild	TRPM8	32	53
C[C@@H](CCOCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852341916	EF	On-Demand	Anodyne	CAPN2	45	31
C[C@@H](CCOCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852341916	EF	On-Demand	Anodyne	SLC12A5	41	31
C[C@H](CCOCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852341917	EF	On-Demand	Anodyne	CAPN2	45	31
C[C@H](CCOCc1ccccc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852341917	EF	On-Demand	Anodyne	SLC12A5	41	31
C[C@@H](CCOCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852341918	EF	On-Demand	Anodyne	CAPN2	45	31
C[C@@H](CCOCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852341918	EF	On-Demand	Anodyne	SLC12A5	41	31
C[C@H](CCOCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852341919	EF	On-Demand	Anodyne	CAPN2	45	31
C[C@H](CCOCc1ccccc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852341919	EF	On-Demand	Anodyne	SLC12A5	41	31
N#Cc1sccc1N1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1	ZINC000852341947	FD	On-Demand	Mild	SLC27A1	40	40
CC(C)c1ccc2c(c1)CN(C(=O)NCc1cncn1C)CC2	ZINC000852341948	DF	On-Demand	Anodyne	MAPK1	52	42
N#CCn1c(CN2CCN(c3ccsc3C#N)CC2)nc2ccccc2c1=O	ZINC000852341953	GE	On-Demand	Mild	HIF1A	18	41
Cc1nnc(CCNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)s1	ZINC000852341955	EE	On-Demand	Anodyne	EPHX2	18	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cncn3C)C2)cc1	ZINC000852341959	ED	On-Demand	Clean	MTNR1B	15	43
Cn1cncc1CNC(=O)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852341971	EF	On-Demand	Anodyne	MAPK1	43	41
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4cccc(OC)c4)CC3)C2)cc1	ZINC000852341984	GG	On-Demand	Clean	DRD4	45	37
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4cccc(OC)c4)CC3)C2)cc1	ZINC000852341984	GG	On-Demand	Clean	KCNA3	42	39
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4cccc(OC)c4)CC3)C2)cc1	ZINC000852341984	GG	On-Demand	Clean	MTNR1A	46	54
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4cccc(OC)c4)CC3)C2)cc1	ZINC000852341984	GG	On-Demand	Clean	MTNR1B	42	54
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4cccc(OC)c4)CC3)C2)cc1	ZINC000852341984	GG	On-Demand	Clean	SOAT1	21	53
COc1ccc(N2CC[C@H](NC(=O)NCC3(c4cccc(OC)c4)CC3)C2)cc1	ZINC000852341984	GG	On-Demand	Clean	MCHR1	18	42
Cc1nc(CN2CCN(c3ccsc3C#N)CC2)nc2ccccc12	ZINC000852341985	EG	On-Demand	Mild	DRD4	28	40
Cn1cncc1CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852341995	FF	On-Demand	Anodyne	CCR1	21	40
Cn1cncc1CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852341995	FF	On-Demand	Anodyne	RPA1	77	32
N#Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccsc3C#N)CC2)c1	ZINC000852341998	GD	On-Demand	Reactive	DRD4	43	33
Cc1nnc(CCNC(=O)NNc2ccc(Cl)cn2)s1	ZINC000852342004	DD	On-Demand	Reactive	F10	47	31
Cc1nnc(CCNC(=O)NCCc2ccnc3ccccc23)s1	ZINC000852342007	EE	On-Demand	Anodyne	MTNR1A	24	42
Cc1nnc(CCNC(=O)NCCc2ccnc3ccccc23)s1	ZINC000852342007	EE	On-Demand	Anodyne	MTNR1B	15	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CC(N)=O)cc3)C2)cc1	ZINC000852342020	GD	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CC(N)=O)cc3)C2)cc1	ZINC000852342020	GD	On-Demand	Clean	CA9	15	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CC(N)=O)cc3)C2)cc1	ZINC000852342020	GD	On-Demand	Clean	MCHR1	18	52
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CC(N)=O)cc3)C2)cc1	ZINC000852342020	GD	On-Demand	Clean	PROKR1	53	32
Cc1nnc(CCNC(=O)NCC2CCN(CC3CC3)CC2)s1	ZINC000852342022	ED	On-Demand	Anodyne	CACNA1I	55	34
COc1ccc([C@@H]2CCCN2C(=O)NCCc2nnc(C)s2)cc1F	ZINC000852342024	FG	On-Demand	Anodyne	ACKR3	51	32
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	SSTR2	52	34
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	EDNRA	33	40
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	TACR1	27	51
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	CCKAR	60	48
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	BRS3	28	43
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	NMBR	37	50
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	MC5R	40	37
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	MTNR1A	17	41
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	GRPR	60	33
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	MMP11	56	32
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	CCKBR	40	40
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	GHSR	51	39
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	MC1R	41	33
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	MMP1	22	45
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852342039	IE	On-Demand	Anodyne	SSSIM	30	44
N#Cc1sccc1N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	ZINC000852342040	FD	On-Demand	Reactive	HTR1A	17	41
N#Cc1sccc1N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	ZINC000852342040	FD	On-Demand	Reactive	DRD2	18	46
COc1cccc(C2(CNC(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)c1	ZINC000852342041	FE	On-Demand	Anodyne	DRD4	40	31
COc1cccc(C2(CNC(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)c1	ZINC000852342041	FE	On-Demand	Anodyne	SOAT1	16	43
COc1cccc(C2(CNC(=O)NCC3SCCS3)CC2)c1	ZINC000852342043	EF	On-Demand	Anodyne	KCNA3	44	36
COc1cccc(C2(CNC(=O)NCC3SCCS3)CC2)c1	ZINC000852342043	EF	On-Demand	Anodyne	MTNR1A	43	39
COc1cccc(C2(CNC(=O)NCC3SCCS3)CC2)c1	ZINC000852342043	EF	On-Demand	Anodyne	SOAT1	17	48
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	CHRM2	18	42
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	CHRM1	20	42
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	DRD2	22	47
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	DRD4	45	47
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	ACHE	46	52
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	DRD3	15	47
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	HTR4	20	46
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	CHRM3	29	42
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	LTA4H	17	41
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	SIGMAR1	48	50
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	SSTR5	49	36
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	CCR3	26	40
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	PDK1	40	39
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	MCHR1	45	46
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	CACNA1G	29	41
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852342057	JE	On-Demand	Anodyne	BIRC2	55	39
N#Cc1sccc1N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000852342059	GD	On-Demand	Mild	KCNJ1	45	43
COCCN(CCF)C(=O)NCC1(c2cccc(OC)c2)CC1	ZINC000852342067	DE	On-Demand	Anodyne	DRD4	41	32
COCCN(CCF)C(=O)NCC1(c2cccc(OC)c2)CC1	ZINC000852342067	DE	On-Demand	Anodyne	KCNA3	44	36
COCCN(CCF)C(=O)NCC1(c2cccc(OC)c2)CC1	ZINC000852342067	DE	On-Demand	Anodyne	SOAT1	17	45
Cc1nnc(CCNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)s1	ZINC000852342075	ED	On-Demand	Anodyne	CCR3	57	36
Cc1nnc(CCNC(=O)NC[C@H]2CCCN(CC3CC3)C2)s1	ZINC000852342076	ED	On-Demand	Anodyne	CCR3	57	36
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(OC)c2)CC1	ZINC000852342077	ED	On-Demand	Anodyne	DRD4	41	31
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(OC)c2)CC1	ZINC000852342077	ED	On-Demand	Anodyne	KCNA3	44	36
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(OC)c2)CC1	ZINC000852342077	ED	On-Demand	Anodyne	MTNR1A	53	39
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(OC)c2)CC1	ZINC000852342077	ED	On-Demand	Anodyne	MTNR1B	47	39
COC(=O)N(C)CCNC(=O)NCC1(c2cccc(OC)c2)CC1	ZINC000852342077	ED	On-Demand	Anodyne	SOAT1	19	47
COc1cccc(C2(CNC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852342101	EF	On-Demand	Anodyne	KCNA3	44	39
COc1cccc(C2(CNC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852342101	EF	On-Demand	Anodyne	MTNR1A	41	40
COc1cccc(C2(CNC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852342101	EF	On-Demand	Anodyne	MTNR1B	37	40
COc1cccc(C2(CNC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852342101	EF	On-Demand	Anodyne	SOAT1	17	46
COc1cccc(C2(CNC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852342102	EF	On-Demand	Anodyne	KCNA3	44	39
COc1cccc(C2(CNC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852342102	EF	On-Demand	Anodyne	MTNR1A	41	40
COc1cccc(C2(CNC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852342102	EF	On-Demand	Anodyne	MTNR1B	37	40
COc1cccc(C2(CNC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852342102	EF	On-Demand	Anodyne	SOAT1	17	46
Cc1nnc(CCNC(=O)N2CCc3nc(-c4ccccc4)sc3C2)s1	ZINC000852342107	GG	On-Demand	Anodyne	P2RY14	49	38
Cn1cncc1CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852342116	CD	On-Demand	Mild	CYP11B1	15	47
N#Cc1sccc1N1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1	ZINC000852342125	FF	On-Demand	Mild	HSD17B3	34	47
N#Cc1sccc1N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	ZINC000852342130	GD	On-Demand	Reactive	DRD4	15	43
N#Cc1sccc1N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1	ZINC000852342130	GD	On-Demand	Reactive	SLC27A1	44	37
Cn1cncc1CNC(=O)N1CCC(C2CCC2)CC1	ZINC000852342131	CE	On-Demand	Anodyne	GPR142	21	41
COc1cccc(C2(CNC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852342139	CF	On-Demand	Anodyne	KCNA3	47	40
COc1cccc(C2(CNC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852342139	CF	On-Demand	Anodyne	MTNR1A	37	40
COc1cccc(C2(CNC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852342139	CF	On-Demand	Anodyne	MTNR1B	35	40
COc1cccc(C2(CNC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852342139	CF	On-Demand	Anodyne	SOAT1	17	46
COc1cccc(C2(CNC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852342140	CF	On-Demand	Anodyne	KCNA3	47	40
COc1cccc(C2(CNC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852342140	CF	On-Demand	Anodyne	MTNR1A	37	40
COc1cccc(C2(CNC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852342140	CF	On-Demand	Anodyne	MTNR1B	35	40
COc1cccc(C2(CNC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852342140	CF	On-Demand	Anodyne	SOAT1	17	46
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1ccc(CC(N)=O)cc1	ZINC000852342179	GC	On-Demand	Reactive	FURIN	45	35
Cn1cncc1CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852342194	FF	On-Demand	Anodyne	P2RY14	47	35
Cn1cncc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852342201	DD	On-Demand	Anodyne	SCN2A	20	48
Cn1cncc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852342201	DD	On-Demand	Anodyne	SCN10A	27	48
Cn1cncc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852342201	DD	On-Demand	Anodyne	GPR142	24	45
COc1cccc(C2(CNC(=O)NC[C@]34OCCC[C@H]3C4(F)F)CC2)c1	ZINC000852342224	FF	On-Demand	Anodyne	KCNA3	42	35
COc1cccc(C2(CNC(=O)NC[C@]34OCCC[C@H]3C4(F)F)CC2)c1	ZINC000852342224	FF	On-Demand	Anodyne	SOAT1	16	43
Cc1nnc(CCNC(=O)NC[C@@H]2CCN2Cc2ccccc2)s1	ZINC000852342241	ED	On-Demand	Anodyne	DRD2	15	42
Cc1nnc(CCNC(=O)NC[C@@H]2CCN2Cc2ccccc2)s1	ZINC000852342241	ED	On-Demand	Anodyne	SIGMAR1	18	41
Cc1nnc(CCNC(=O)NC[C@H]2CCN2Cc2ccccc2)s1	ZINC000852342242	ED	On-Demand	Anodyne	DRD2	15	42
Cc1nnc(CCNC(=O)NC[C@H]2CCN2Cc2ccccc2)s1	ZINC000852342242	ED	On-Demand	Anodyne	SIGMAR1	18	41
N#Cc1sccc1N1CCN(Cc2cncc3ccccc23)CC1	ZINC000852342251	EG	On-Demand	Mild	DRD4	22	40
COc1cccc(C2(CNC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852342286	EG	On-Demand	Reactive	F10	50	32
COc1cccc(C2(CNC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852342286	EG	On-Demand	Reactive	KCNA3	45	39
COc1cccc(C2(CNC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852342286	EG	On-Demand	Reactive	SOAT1	17	44
Cc1ccccc1CC(=O)NNC(=O)CN1CCN(c2ccsc2C#N)CC1	ZINC000852342295	GD	On-Demand	Reactive	DRD4	15	45
Cc1nnc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852342299	FD	On-Demand	Anodyne	ACHE	26	46
Cc1nnc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852342299	FD	On-Demand	Anodyne	HTR4	37	42
Cc1nnc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852342299	FD	On-Demand	Anodyne	SIGMAR1	16	41
Cc1nnc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852342299	FD	On-Demand	Anodyne	SSTR5	46	37
Cc1nnc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852342299	FD	On-Demand	Anodyne	CCR3	27	42
Cc1nnc(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)s1	ZINC000852342299	FD	On-Demand	Anodyne	CACNA1I	63	44
N#Cc1sccc1N1CCN(Cc2cnc(Cl)s2)CC1	ZINC000852342300	DG	On-Demand	Mild	NACHRBETA2	19	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cncn1C	ZINC000852342317	DE	On-Demand	Anodyne	P2RX7	39	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cncn1C	ZINC000852342323	DE	On-Demand	Anodyne	P2RX7	39	40
N#Cc1sccc1N1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852342324	FF	On-Demand	Mild	DRD2	15	44
N#Cc1sccc1N1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852342324	FF	On-Demand	Mild	DRD4	33	44
N#Cc1sccc1N1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852342324	FF	On-Demand	Mild	DRD3	15	42
N#Cc1sccc1N1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852342324	FF	On-Demand	Mild	SIGMAR1	25	41
N#Cc1sccc1N1CCN(CC(=O)NOCc2ccccc2)CC1	ZINC000852342341	FD	On-Demand	Mild	DRD4	20	43
Cn1cncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852342355	ED	On-Demand	Anodyne	ACHE	26	44
Cn1cncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852342355	ED	On-Demand	Anodyne	HTR4	38	41
Cn1cncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852342355	ED	On-Demand	Anodyne	SIGMAR1	23	40
Cn1cncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852342355	ED	On-Demand	Anodyne	CCR3	27	43
Cn1cncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852342355	ED	On-Demand	Anodyne	MCHR1	15	40
Cn1cncc1CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852342355	ED	On-Demand	Anodyne	CACNA1I	65	42
COc1cccc(C2(CNC(=O)NCc3ncccn3)CC2)c1	ZINC000852342373	DE	On-Demand	Anodyne	DRD4	40	30
COc1cccc(C2(CNC(=O)NCc3ncccn3)CC2)c1	ZINC000852342373	DE	On-Demand	Anodyne	KCNA3	44	38
COc1cccc(C2(CNC(=O)NCc3ncccn3)CC2)c1	ZINC000852342373	DE	On-Demand	Anodyne	MTNR1A	46	39
COc1cccc(C2(CNC(=O)NCc3ncccn3)CC2)c1	ZINC000852342373	DE	On-Demand	Anodyne	MTNR1B	43	39
COc1cccc(C2(CNC(=O)NCc3ncccn3)CC2)c1	ZINC000852342373	DE	On-Demand	Anodyne	ROCK2	19	41
COc1cccc(C2(CNC(=O)NCc3ncccn3)CC2)c1	ZINC000852342373	DE	On-Demand	Anodyne	SOAT1	21	49
CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000852342393	HD	On-Demand	Bother	COLA	53	34
Cn1cncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852342424	FF	On-Demand	Anodyne	CNR1	61	40
Cn1cncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852342424	FF	On-Demand	Anodyne	DRD1	44	35
Cn1cncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852342424	FF	On-Demand	Anodyne	MC4R	76	37
Cn1cncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852342424	FF	On-Demand	Anodyne	P2RX7	28	42
Cn1cncc1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852342424	FF	On-Demand	Anodyne	CXCR3	25	45
COc1cccc(C2(CNC(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1	ZINC000852342432	FD	On-Demand	Anodyne	KCNA3	40	35
COc1cccc(C2(CNC(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1	ZINC000852342432	FD	On-Demand	Anodyne	SOAT1	15	44
COc1cccc(C2(CNC(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1	ZINC000852342433	FD	On-Demand	Anodyne	KCNA3	40	35
COc1cccc(C2(CNC(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1	ZINC000852342433	FD	On-Demand	Anodyne	SOAT1	15	44
Cc1nnc(CCNC(=O)NCc2ccc(Cl)c(Cl)c2)s1	ZINC000852342437	EG	On-Demand	Anodyne	RPA1	51	34
N#Cc1sccc1N1CCN(CC(=O)Nc2cccnc2Cl)CC1	ZINC000852342499	FE	On-Demand	Mild	SLC27A1	41	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[C@H](c4ccccc4)O3)C2)cc1	ZINC000852342506	GG	On-Demand	Clean	MTNR1B	15	43
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852342513	IF	On-Demand	Mild	VIPR1	30	49
CN1C(=O)CCc2cc(CN3CCN(c4ccsc4C#N)CC3)ccc21	ZINC000852342516	FF	On-Demand	Mild	HTR1A	15	40
CN1C(=O)CCc2cc(CN3CCN(c4ccsc4C#N)CC3)ccc21	ZINC000852342516	FF	On-Demand	Mild	DRD2	15	40
COc1cccc(C2(CNC(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1	ZINC000852342517	GE	On-Demand	Anodyne	DRD4	42	33
COc1cccc(C2(CNC(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1	ZINC000852342517	GE	On-Demand	Anodyne	SOAT1	18	45
COc1cccc(C2(CNC(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1	ZINC000852342518	GE	On-Demand	Anodyne	DRD4	42	33
COc1cccc(C2(CNC(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1	ZINC000852342518	GE	On-Demand	Anodyne	SOAT1	18	45
COc1ccc2c(CN3CCN(c4ccsc4C#N)CC3)cc(=O)oc2c1	ZINC000852342520	GG	On-Demand	Mild	CYP11B1	17	43
COc1ccc2c(CN3CCN(c4ccsc4C#N)CC3)cc(=O)oc2c1	ZINC000852342520	GG	On-Demand	Mild	MAOB	27	40
NC(=O)Cc1ccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1	ZINC000852342554	GD	On-Demand	Clean	STAT6	16	42
Cc1nnc(CCNC(=O)NCc2cccc(OC3CC3)c2F)s1	ZINC000852342562	FF	On-Demand	Anodyne	SCD1	15	40
C#C[C@@H](NC(=O)NCC1(c2cccc(OC)c2)CC1)C1CCOCC1	ZINC000852342584	EE	On-Demand	Mild	KCNA3	41	35
C#C[C@@H](NC(=O)NCC1(c2cccc(OC)c2)CC1)C1CCOCC1	ZINC000852342584	EE	On-Demand	Mild	SOAT1	19	48
C#C[C@H](NC(=O)NCC1(c2cccc(OC)c2)CC1)C1CCOCC1	ZINC000852342585	EE	On-Demand	Mild	KCNA3	41	35
C#C[C@H](NC(=O)NCC1(c2cccc(OC)c2)CC1)C1CCOCC1	ZINC000852342585	EE	On-Demand	Mild	SOAT1	19	48
CCC(CC)(CNC(=O)NCCS(=O)(=O)C(C)C)c1ccc(F)cc1	ZINC000852342590	FG	On-Demand	Anodyne	CACNA1G	38	45
CCO[C@@H]1C[C@@H](NC(=O)NCc2cncn2C)C1	ZINC000852342635	CC	On-Demand	Anodyne	GPR142	21	43
Cn1cncc1CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852342644	FF	On-Demand	Anodyne	ROCK2	23	41
N#Cc1sccc1N1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1	ZINC000852342651	GF	On-Demand	Mild	CSF1R	15	41
N#Cc1sccc1N1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1	ZINC000852342651	GF	On-Demand	Mild	SLC27A1	46	42
COC[C@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1cccc(Cl)c1	ZINC000852342667	GF	On-Demand	Anodyne	CYP3A4	41	34
COC[C@@H](NC(=O)N1CCC(N2CCOC2=O)CC1)c1cccc(Cl)c1	ZINC000852342668	GF	On-Demand	Anodyne	CYP3A4	41	34
N#Cc1sccc1N1CCN(CCCNC(=O)C(F)(F)F)CC1	ZINC000852342672	ED	On-Demand	Mild	HTR1A	42	42
N#Cc1sccc1N1CCN(CCCNC(=O)C(F)(F)F)CC1	ZINC000852342672	ED	On-Demand	Mild	DRD2	48	41
N#Cc1sccc1N1CCN(CCCNC(=O)C(F)(F)F)CC1	ZINC000852342672	ED	On-Demand	Mild	ADRA1A	44	39
N#Cc1sccc1N1CCN(CCCNC(=O)C(F)(F)F)CC1	ZINC000852342672	ED	On-Demand	Mild	DRD3	75	41
COc1cccc([C@]2(C)CCN(C(=O)NCCc3nnc(C)s3)C2)c1	ZINC000852342714	FF	On-Demand	Anodyne	DRD4	43	34
Cc1nnc(CCNC(=O)NCc2cccnc2N2CCCC2)s1	ZINC000852342717	ED	On-Demand	Anodyne	SCN2A	18	44
Cc1nnc(CCNC(=O)NCc2cccnc2N2CCCC2)s1	ZINC000852342717	ED	On-Demand	Anodyne	SCN10A	19	44
CC(C)(C)OC(=O)NCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342720	EE	On-Demand	Mild	HTR1A	34	44
CC(C)(C)OC(=O)NCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342720	EE	On-Demand	Mild	DRD2	36	57
CC(C)(C)OC(=O)NCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342720	EE	On-Demand	Mild	DRD4	48	38
CC(C)(C)OC(=O)NCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342720	EE	On-Demand	Mild	DRD3	55	42
Cc1nnc(CCNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852342726	ED	On-Demand	Anodyne	PYGL	36	47
Cc1nnc(CCNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852342726	ED	On-Demand	Anodyne	PYGM	30	47
Cc1nnc(CCNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852342726	ED	On-Demand	Anodyne	TPP2	44	32
Cc1nnc(CCNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852342735	ED	On-Demand	Anodyne	PYGL	36	47
Cc1nnc(CCNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852342735	ED	On-Demand	Anodyne	PYGM	30	47
Cc1nnc(CCNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1	ZINC000852342735	ED	On-Demand	Anodyne	TPP2	44	32
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852342750	IH	On-Demand	Anodyne	IMDH_CRYPV	55	40
N#Cc1sccc1N1CCN(CCC(=O)C2CC2)CC1	ZINC000852342753	CE	On-Demand	Mild	HTR1A	15	41
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccsc3C#N)CC2)c1	ZINC000852342763	GD	On-Demand	Reactive	HTR1A	15	40
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccsc3C#N)CC2)c1	ZINC000852342763	GD	On-Demand	Reactive	DRD2	15	56
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccsc3C#N)CC2)c1	ZINC000852342763	GD	On-Demand	Reactive	DRD4	46	38
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccsc3C#N)CC2)c1	ZINC000852342763	GD	On-Demand	Reactive	DRD3	16	48
Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccsc3C#N)CC2)c1	ZINC000852342763	GD	On-Demand	Reactive	KCNK3	42	35
N#Cc1sccc1N1CCN(CCC(=O)OCc2ccccc2)CC1	ZINC000852342780	FF	On-Demand	Mild	HTR1A	44	43
N#Cc1sccc1N1CCN(CCC(=O)OCc2ccccc2)CC1	ZINC000852342780	FF	On-Demand	Mild	HTR7	41	37
N#Cc1sccc1N1CCN(CCC(=O)OCc2ccccc2)CC1	ZINC000852342780	FF	On-Demand	Mild	SLC12A5	43	35
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3COc4ccccc43)C2)cc1	ZINC000852342827	FF	On-Demand	Clean	MTNR1A	20	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3COc4ccccc43)C2)cc1	ZINC000852342827	FF	On-Demand	Clean	MTNR1B	17	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3COc4ccccc43)C2)cc1	ZINC000852342828	FF	On-Demand	Clean	MTNR1A	20	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3COc4ccccc43)C2)cc1	ZINC000852342828	FF	On-Demand	Clean	MTNR1B	17	46
COc1cccc(C2(CNC(=O)NCCC3SCCS3)CC2)c1	ZINC000852342839	FG	On-Demand	Anodyne	DRD4	40	31
COc1cccc(C2(CNC(=O)NCCC3SCCS3)CC2)c1	ZINC000852342839	FG	On-Demand	Anodyne	KCNA3	44	36
COc1cccc(C2(CNC(=O)NCCC3SCCS3)CC2)c1	ZINC000852342839	FG	On-Demand	Anodyne	MTNR1A	45	37
COc1cccc(C2(CNC(=O)NCCC3SCCS3)CC2)c1	ZINC000852342839	FG	On-Demand	Anodyne	SOAT1	18	46
CCC(=O)CCN1CCN(c2ccsc2C#N)CC1	ZINC000852342858	CE	On-Demand	Mild	HTR1A	20	42
CON(C)C(=O)CCN1CCN(c2ccsc2C#N)CC1	ZINC000852342896	DD	On-Demand	Mild	HTR1A	27	44
CC(C)(C)OC(=O)NCCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342901	FF	On-Demand	Mild	HTR1A	61	45
CC(C)(C)OC(=O)NCCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342901	FF	On-Demand	Mild	DRD2	59	59
CC(C)(C)OC(=O)NCCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342901	FF	On-Demand	Mild	DRD4	42	33
CC(C)(C)OC(=O)NCCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342901	FF	On-Demand	Mild	ADRA1D	48	41
CC(C)(C)OC(=O)NCCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342901	FF	On-Demand	Mild	ADRA1A	68	41
CC(C)(C)OC(=O)NCCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342901	FF	On-Demand	Mild	ADRA1B	38	40
CC(C)(C)OC(=O)NCCCN1CCN(c2ccsc2C#N)CC1	ZINC000852342901	FF	On-Demand	Mild	DRD3	86	42
N#Cc1sccc1N1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1	ZINC000852342935	GH	On-Demand	Mild	HTR1A	18	52
N#Cc1sccc1N1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)CC1	ZINC000852342935	GH	On-Demand	Mild	DRD2	18	52
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852342938	EC	On-Demand	Reactive	DRD4	43	32
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852342938	EC	On-Demand	Reactive	KCNA3	43	37
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852342938	EC	On-Demand	Reactive	MTNR1A	25	40
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852342938	EC	On-Demand	Reactive	MTNR1B	25	40
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852342938	EC	On-Demand	Reactive	SOAT1	22	48
COc1cccc(C2(CNC(=O)NNC(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC2)c1	ZINC000852342948	GC	On-Demand	Reactive	SOAT1	17	43
Cc1nnc(CCNC(=O)N2CCC3(CCc4ccccc4O3)CC2)s1	ZINC000852342956	FF	On-Demand	Anodyne	SCD1	24	45
Cc1nnc(CCNC(=O)N2CCC3(CCc4ccccc4O3)CC2)s1	ZINC000852342956	FF	On-Demand	Anodyne	SCD	35	45
COc1cccc(C2(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)c1	ZINC000852342994	GE	On-Demand	Anodyne	KCNA3	44	36
COc1cccc(C2(CNC(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)c1	ZINC000852342994	GE	On-Demand	Anodyne	SOAT1	19	47
Cc1nnc(CCNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)s1	ZINC000852343003	FG	On-Demand	Anodyne	KCNH2	43	41
CCC(CC)(CNC(=O)NCCc1nnc(C)s1)c1ccc(F)cc1	ZINC000852343009	FH	On-Demand	Anodyne	CACNA1G	35	40
Cc1nnc(CCNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)s1	ZINC000852343026	GE	On-Demand	Anodyne	SSTR3	30	44
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(c2ccsc2C#N)CC1	ZINC000852343049	FF	On-Demand	Mild	NPY2R	35	44
Cn1cncc1CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852343055	ED	On-Demand	Anodyne	CACNA1I	42	35
N#Cc1sccc1N1CCN(CCOC(=O)Cc2ccccc2)CC1	ZINC000852343060	FF	On-Demand	Mild	HTR1A	50	41
N#Cc1sccc1N1CCN(CCOC(=O)Cc2ccccc2)CC1	ZINC000852343060	FF	On-Demand	Mild	HTR2A	15	40
N#Cc1sccc1N1CCN(CCOC(=O)Cc2ccccc2)CC1	ZINC000852343060	FF	On-Demand	Mild	SIGMAR1	22	41
COc1cccc(C2(CNC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852343063	FD	On-Demand	Reactive	KCNA3	45	37
COc1cccc(C2(CNC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852343063	FD	On-Demand	Reactive	SOAT1	17	44
C#CCNC(=O)CCN1CCN(c2ccsc2C#N)CC1	ZINC000852343099	DC	On-Demand	Mild	HTR1A	33	42
C#CCNC(=O)CCN1CCN(c2ccsc2C#N)CC1	ZINC000852343099	DC	On-Demand	Mild	DRD2	32	41
C#CCNC(=O)CCN1CCN(c2ccsc2C#N)CC1	ZINC000852343099	DC	On-Demand	Mild	DRD3	43	35
C#CCNC(=O)CCN1CCN(c2ccsc2C#N)CC1	ZINC000852343099	DC	On-Demand	Mild	HTR7	36	41
CC(C)(C)OC(=O)NCCOCCN1CCN(c2ccsc2C#N)CC1	ZINC000852343102	GE	On-Demand	Mild	DRD2	34	49
CC(C)(C)OC(=O)NCCOCCN1CCN(c2ccsc2C#N)CC1	ZINC000852343102	GE	On-Demand	Mild	DRD4	41	32
CC(C)(C)OC(=O)NCCOCCN1CCN(c2ccsc2C#N)CC1	ZINC000852343102	GE	On-Demand	Mild	DRD3	55	38
COC(=O)c1ccc(CNC(=O)NCCS(=O)(=O)C(C)C)c(F)c1	ZINC000852343103	FD	On-Demand	Anodyne	TRPV1	90	35
COC(=O)c1ccc(CNC(=O)NCCS(=O)(=O)C(C)C)c(F)c1	ZINC000852343103	FD	On-Demand	Anodyne	BDKRB1	22	40
C[C@H](NC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1	ZINC000852343106	IG	On-Demand	Anodyne	PRCP	19	44
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852343107	IG	On-Demand	Anodyne	PRCP	19	44
N#Cc1sccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC000852343117	GE	On-Demand	Mild	HTR1A	58	42
N#Cc1sccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC000852343117	GE	On-Demand	Mild	DRD2	40	42
N#Cc1sccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC000852343117	GE	On-Demand	Mild	ADRA1D	18	42
N#Cc1sccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC000852343117	GE	On-Demand	Mild	HTR2A	27	41
N#Cc1sccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC000852343117	GE	On-Demand	Mild	ADRA1A	16	42
N#Cc1sccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC000852343117	GE	On-Demand	Mild	ADRA1B	15	42
N#Cc1sccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC000852343117	GE	On-Demand	Mild	DRD3	28	42
N#Cc1sccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1	ZINC000852343117	GE	On-Demand	Mild	HTR7	42	42
CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccsc3C#N)CC2)CC1	ZINC000852343130	GG	On-Demand	Mild	GPR119	45	43
COc1cccc(C2(CNC(=O)N3CCC(N4CCOC4=O)CC3)CC2)c1	ZINC000852343151	FE	On-Demand	Anodyne	KCNA3	41	35
COc1cccc(C2(CNC(=O)N3CCC(N4CCOC4=O)CC3)CC2)c1	ZINC000852343151	FE	On-Demand	Anodyne	SOAT1	16	45
COC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1cccc(Cl)c1	ZINC000852343153	FF	On-Demand	Anodyne	C3AR1	34	40
COC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1cccc(Cl)c1	ZINC000852343153	FF	On-Demand	Anodyne	EPHX2	24	43
COC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1cccc(Cl)c1	ZINC000852343153	FF	On-Demand	Anodyne	CYP3A4	22	40
COC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1cccc(Cl)c1	ZINC000852343154	FF	On-Demand	Anodyne	C3AR1	34	40
COC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1cccc(Cl)c1	ZINC000852343154	FF	On-Demand	Anodyne	EPHX2	24	43
COC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)c1cccc(Cl)c1	ZINC000852343154	FF	On-Demand	Anodyne	CYP3A4	22	40
COC[C@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1cccc(Cl)c1	ZINC000852343155	FF	On-Demand	Anodyne	MAPK1	34	43
COC[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1cccc(Cl)c1	ZINC000852343156	FF	On-Demand	Anodyne	MAPK1	34	43
O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000852343164	IE	On-Demand	Anodyne	SSTR4	48	35
COC[C@H](NC(=O)N(C)CCN(C)C(=O)OC)c1cccc(Cl)c1	ZINC000852343217	FE	On-Demand	Anodyne	UTS2	51	36
COC[C@@H](NC(=O)N(C)CCN(C)C(=O)OC)c1cccc(Cl)c1	ZINC000852343218	FE	On-Demand	Anodyne	UTS2	51	36
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCN(c3ccsc3C#N)CC2)C1	ZINC000852343312	GG	On-Demand	Mild	DRD3	19	40
CC(C)(C)OC(=O)N1CC[C@H](CCN2CCN(c3ccsc3C#N)CC2)C1	ZINC000852343312	GG	On-Demand	Mild	GPR119	36	40
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCN(c3ccsc3C#N)CC2)C1	ZINC000852343314	GG	On-Demand	Mild	DRD3	19	40
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCN(c3ccsc3C#N)CC2)C1	ZINC000852343314	GG	On-Demand	Mild	GPR119	36	40
CCC(CC)(CNC(=O)NCc1cncn1C)c1ccc(F)cc1	ZINC000852343326	EG	On-Demand	Anodyne	CACNA1G	37	43
COc1cccc(C2(CNC(=O)NC[C@H](O)c3cc(F)c(F)c(F)c3)CC2)c1	ZINC000852343338	GG	On-Demand	Anodyne	KCNA3	40	33
COc1cccc(C2(CNC(=O)NC[C@H](O)c3cc(F)c(F)c(F)c3)CC2)c1	ZINC000852343338	GG	On-Demand	Anodyne	SOAT1	20	49
COc1cccc(C2(CNC(=O)NC[C@@H](O)c3cc(F)c(F)c(F)c3)CC2)c1	ZINC000852343339	GG	On-Demand	Anodyne	KCNA3	40	33
COc1cccc(C2(CNC(=O)NC[C@@H](O)c3cc(F)c(F)c(F)c3)CC2)c1	ZINC000852343339	GG	On-Demand	Anodyne	SOAT1	20	49
N#Cc1sccc1N1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000852343341	DF	On-Demand	Mild	DRD4	19	40
N#Cc1sccc1N1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000852343341	DF	On-Demand	Mild	Q8WSF8_APLCA	44	44
N#Cc1sccc1N1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000852343341	DF	On-Demand	Mild	NACHRBETA2	47	44
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852343353	JE	On-Demand	Anodyne	SSTR1	28	43
COc1cccc(C2(CNC(=O)NNC(=O)[C@@H]3CN(C)C[C@H](C)O3)CC2)c1	ZINC000852343373	GC	On-Demand	Reactive	KCNA3	40	34
COc1cccc(C2(CNC(=O)NNC(=O)[C@@H]3CN(C)C[C@H](C)O3)CC2)c1	ZINC000852343373	GC	On-Demand	Reactive	SOAT1	20	47
COc1cccc(C2(CNC(=O)NNC(=O)[C@@H]3CN(C)C[C@@H](C)O3)CC2)c1	ZINC000852343376	GC	On-Demand	Reactive	KCNA3	40	34
COc1cccc(C2(CNC(=O)NNC(=O)[C@@H]3CN(C)C[C@@H](C)O3)CC2)c1	ZINC000852343376	GC	On-Demand	Reactive	SOAT1	20	47
COc1cccc(C2(CNC(=O)NNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)c1	ZINC000852343378	GC	On-Demand	Reactive	KCNA3	40	34
COc1cccc(C2(CNC(=O)NNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)c1	ZINC000852343378	GC	On-Demand	Reactive	SOAT1	20	47
Cn1cncc1CNC(=O)NCc1c(C2CCC2)cnn1C	ZINC000852343379	DD	On-Demand	Anodyne	GPR142	21	41
COc1cccc(C2(CNC(=O)NNC(=O)[C@H]3CN(C)C[C@H](C)O3)CC2)c1	ZINC000852343380	GC	On-Demand	Reactive	KCNA3	40	34
COc1cccc(C2(CNC(=O)NNC(=O)[C@H]3CN(C)C[C@H](C)O3)CC2)c1	ZINC000852343380	GC	On-Demand	Reactive	SOAT1	20	47
CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000852343385	IC	On-Demand	Anodyne	P2RY12	113	40
CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000852343387	IC	On-Demand	Anodyne	P2RY12	113	40
Cn1cncc1CNC(=O)N1CCC[C@@H](C2CCC2)C1	ZINC000852343393	CE	On-Demand	Anodyne	GPR142	20	40
Cn1cncc1CNC(=O)N1CCC[C@H](C2CCC2)C1	ZINC000852343395	CE	On-Demand	Anodyne	GPR142	20	40
N#Cc1sccc1N1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852343396	FE	On-Demand	Mild	SLC27A1	41	39
C[C@H](NC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(S(N)(=O)=O)cc1	ZINC000852343427	JD	On-Demand	Anodyne	CA2	32	42
C[C@H](NC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(S(N)(=O)=O)cc1	ZINC000852343427	JD	On-Demand	Anodyne	CA1	21	42
C[C@H](NC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(S(N)(=O)=O)cc1	ZINC000852343427	JD	On-Demand	Anodyne	CA12	17	42
C[C@H](NC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(S(N)(=O)=O)cc1	ZINC000852343427	JD	On-Demand	Anodyne	CA9	15	42
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852343428	JD	On-Demand	Anodyne	CA2	32	42
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852343428	JD	On-Demand	Anodyne	CA1	21	42
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852343428	JD	On-Demand	Anodyne	CA12	17	42
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852343428	JD	On-Demand	Anodyne	CA9	15	42
N#Cc1sccc1N1CCN(CC(=O)Nc2ccc(O)cc2)CC1	ZINC000852343436	EE	On-Demand	Mild	SLC27A1	37	40
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852343474	IF	On-Demand	Anodyne	KCNQ2	35	48
COC[C@@H](NC(=O)NCCN(C)C(=O)OC)c1cccc(Cl)c1	ZINC000852343495	EE	On-Demand	Anodyne	UTS2	44	34
COC[C@H](NC(=O)NCCN(C)C(=O)OC)c1cccc(Cl)c1	ZINC000852343496	EE	On-Demand	Anodyne	UTS2	44	34
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)N2CC[C@H]3C[C@@H]3C2)CC1	ZINC000852343522	FG	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)N2CC[C@H]3C[C@H]3C2)CC1	ZINC000852343523	FG	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1	ZINC000852343524	FG	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)N2CC[C@@H]3C[C@H]3C2)CC1	ZINC000852343525	FG	On-Demand	Anodyne	CACNA1I	42	33
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)C1	ZINC000852343571	ID	On-Demand	Anodyne	DPP7	40	33
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000852343572	EE	On-Demand	Anodyne	DRD2	19	50
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000852343572	EE	On-Demand	Anodyne	DRD4	21	50
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000852343572	EE	On-Demand	Anodyne	DRD3	15	50
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)C1	ZINC000852343574	ID	On-Demand	Anodyne	DPP7	40	33
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000852343576	EE	On-Demand	Anodyne	DRD2	19	50
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000852343576	EE	On-Demand	Anodyne	DRD4	21	50
COCCN(CCF)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000852343576	EE	On-Demand	Anodyne	DRD3	15	50
CC[C@H](NC(=O)CON=C(C)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1	ZINC000852343578	HI	On-Demand	Mild	UTS2	45	36
CC[C@@H](NC(=O)CON=C(C)c1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1	ZINC000852343584	HI	On-Demand	Mild	UTS2	45	36
Cn1cncc1CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852343600	FD	On-Demand	Anodyne	SSTR3	33	47
C[C@H]1[C@H](NC(=O)NCc2ncccn2)CCN1Cc1ccccc1	ZINC000852343632	ED	On-Demand	Anodyne	EPHX2	17	41
C[C@H]1[C@@H](NC(=O)NCc2ncccn2)CCN1Cc1ccccc1	ZINC000852343634	ED	On-Demand	Anodyne	EPHX2	17	41
C[C@@H]1[C@@H](NC(=O)NCc2ncccn2)CCN1Cc1ccccc1	ZINC000852343643	ED	On-Demand	Anodyne	EPHX2	17	41
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000852343648	ED	On-Demand	Anodyne	DRD4	15	49
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000852343648	ED	On-Demand	Anodyne	DRD3	15	49
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000852343651	ED	On-Demand	Anodyne	DRD4	15	49
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000852343651	ED	On-Demand	Anodyne	DRD3	15	49
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000852343654	ED	On-Demand	Anodyne	DRD4	15	49
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C	ZINC000852343654	ED	On-Demand	Anodyne	DRD3	15	49
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000852343656	ED	On-Demand	Anodyne	DRD4	15	49
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C	ZINC000852343656	ED	On-Demand	Anodyne	DRD3	15	49
N#Cc1sccc1N1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852343657	EF	On-Demand	Mild	HTR1A	20	59
N#Cc1sccc1N1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852343657	EF	On-Demand	Mild	SLC6A3	17	52
N#Cc1sccc1N1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852343673	EF	On-Demand	Mild	HTR1A	20	59
N#Cc1sccc1N1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852343673	EF	On-Demand	Mild	SLC6A3	17	52
CC(C)(C)C(=O)CCN1CCN(c2ccsc2C#N)CC1	ZINC000852343682	DF	On-Demand	Mild	HTR1A	17	42
N#Cc1sccc1N1CCN(CCC(=O)N2CCCC2)CC1	ZINC000852343705	DD	On-Demand	Mild	HTR1A	18	42
COCCN(CCF)C(=O)N[C@@H](COC)c1cccc(Cl)c1	ZINC000852343738	EF	On-Demand	Anodyne	UTS2	44	33
Cn1cncc1CNC(=O)NC1CC(C)(C)C1	ZINC000852343760	BD	On-Demand	Anodyne	GPR142	21	40
N#Cc1sccc1N1CCN(CCCN2CCOC2=O)CC1	ZINC000852343761	DD	On-Demand	Mild	HTR1A	15	40
Cn1cncc1CNC(=O)NCc1cc(F)ccc1OC(F)F	ZINC000852343773	EE	On-Demand	Anodyne	P2RX7	42	37
N#Cc1sccc1N1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC1	ZINC000852343802	GG	On-Demand	Mild	L3MBTL3	41	47
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852343816	JD	On-Demand	Anodyne	HTR1A	26	46
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852343816	JD	On-Demand	Anodyne	ADRA1D	15	44
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852343816	JD	On-Demand	Anodyne	ADRA1A	15	44
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852343816	JD	On-Demand	Anodyne	HTR7	32	44
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000852343913	JD	On-Demand	Anodyne	DPOL_VZVD	23	40
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H](C1CC1)C(F)(F)F	ZINC000852343928	FH	On-Demand	Anodyne	KCNJ11	58	37
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H](C1CC1)C(F)(F)F	ZINC000852343930	FH	On-Demand	Anodyne	KCNJ11	58	37
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H](C1CC1)C(F)(F)F	ZINC000852343931	FH	On-Demand	Anodyne	KCNJ11	58	37
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H](C1CC1)C(F)(F)F	ZINC000852343932	FH	On-Demand	Anodyne	KCNJ11	58	37
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)NCCc2ccoc2)CC1	ZINC000852343933	GG	On-Demand	Anodyne	ACACB	15	41
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCCS(=O)(=O)C(C)C)CCC2	ZINC000852343944	GE	On-Demand	Anodyne	NQO2	21	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCCS(=O)(=O)C(C)C)CCC2	ZINC000852343945	GE	On-Demand	Anodyne	NQO2	21	41
Cn1cncc1CNC(=O)NC1CCC(C2CCC2)CC1	ZINC000852343972	CF	On-Demand	Anodyne	GPR142	20	42
CC(=O)CCN1CCN(c2ccsc2C#N)CC1	ZINC000852343981	CD	On-Demand	Mild	HTR1A	33	44
Cn1cncc1CNC(=O)NCc1cnccc1C(F)(F)F	ZINC000852344005	DD	On-Demand	Anodyne	P2RX7	34	41
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852344008	IC	On-Demand	Anodyne	HTR1A	15	55
CC(=O)c1ccc(OC[C@@H](O)CN2C[C@H]3C[C@@H](O)CC[C@H]3C2)cc1	ZINC000852344019	ED	On-Demand	Anodyne	ACOX1	42	30
CC(=O)c1ccc(OC[C@@H](O)CN2C[C@H]3C[C@@H](O)CC[C@H]3C2)cc1	ZINC000852344019	ED	On-Demand	Anodyne	ABCB1	42	43
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852344064	FG	On-Demand	Anodyne	NAAA	45	36
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852344066	FG	On-Demand	Anodyne	NAAA	45	36
C[C@@H]1[C@@H](NC(=O)N[C@@H]2COC3(CCC3)C2)CCN1Cc1ccccc1	ZINC000852344085	EF	On-Demand	Anodyne	DRD3	15	44
C[C@@H]1[C@@H](NC(=O)N[C@H]2COC3(CCC3)C2)CCN1Cc1ccccc1	ZINC000852344086	EF	On-Demand	Anodyne	DRD3	15	44
COCCN(CCF)C(=O)N[C@@H]1c2ccccc2O[C@H]1C	ZINC000852344096	CE	On-Demand	Anodyne	NAAA	46	35
COCCN(CCF)C(=O)N[C@@H]1c2ccccc2O[C@@H]1C	ZINC000852344097	CE	On-Demand	Anodyne	NAAA	46	35
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852344099	CF	On-Demand	Anodyne	NAAA	40	33
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852344100	CF	On-Demand	Anodyne	NAAA	40	33
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@H]1C=CCC1	ZINC000852344101	CF	On-Demand	Anodyne	NAAA	40	33
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@@H]1C=CCC1	ZINC000852344102	CF	On-Demand	Anodyne	NAAA	40	33
C[C@H]1[C@@H](NC(=O)NNc2ccc(Cl)cn2)CCN1Cc1ccccc1	ZINC000852344104	FG	On-Demand	Reactive	DRD4	16	48
C[C@@H]1[C@@H](NC(=O)NNc2ccc(Cl)cn2)CCN1Cc1ccccc1	ZINC000852344105	FG	On-Demand	Reactive	DRD4	16	48
C[C@H]1[C@H](NC(=O)NNc2ccc(Cl)cn2)CCN1Cc1ccccc1	ZINC000852344107	FG	On-Demand	Reactive	DRD4	16	48
N#Cc1sccc1N1CCN(CC(=O)OCc2ccccc2)CC1	ZINC000852344171	EE	On-Demand	Mild	DRD4	22	41
N#Cc1sccc1N1CCN(CC(=O)OCc2ccccc2)CC1	ZINC000852344171	EE	On-Demand	Mild	SLC12A5	50	36
COc1cccc([C@]2(C)CCN(C(=O)NCc3cncn3C)C2)c1	ZINC000852344172	EE	On-Demand	Anodyne	DRD4	44	33
Cn1cncc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852344192	EE	On-Demand	Anodyne	EPHX2	15	52
Cn1cncc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852344192	EE	On-Demand	Anodyne	SCD1	20	45
Cn1cncc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852344192	EE	On-Demand	Anodyne	SCD	30	41
Cn1cncc1CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852344192	EE	On-Demand	Anodyne	TRPM8	21	49
CN(C)CCCOc1cnccc1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852344253	GE	On-Demand	Reactive	F10	28	42
C[C@H]1[C@H](NC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1Cc1ccccc1	ZINC000852344262	GC	On-Demand	Reactive	DRD4	15	45
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)O1	ZINC000852344263	GC	On-Demand	Reactive	DRD4	15	45
C[C@H]1[C@@H](NC(=O)NNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1Cc1ccccc1	ZINC000852344264	GC	On-Demand	Reactive	DRD4	15	45
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)O1	ZINC000852344265	GC	On-Demand	Reactive	DRD4	15	45
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852344280	GG	On-Demand	Anodyne	NAAA	44	40
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852344283	GG	On-Demand	Anodyne	NAAA	44	40
C[C@H]1[C@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344337	FG	On-Demand	Anodyne	DRD4	17	47
C[C@H]1[C@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344337	FG	On-Demand	Anodyne	ACHE	21	42
C[C@H]1[C@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344337	FG	On-Demand	Anodyne	DRD3	15	47
C[C@H]1[C@@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344338	FG	On-Demand	Anodyne	DRD4	17	47
C[C@H]1[C@@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344338	FG	On-Demand	Anodyne	ACHE	21	42
C[C@H]1[C@@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344338	FG	On-Demand	Anodyne	DRD3	15	47
C[C@@H]1[C@@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344339	FG	On-Demand	Anodyne	DRD4	17	47
C[C@@H]1[C@@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344339	FG	On-Demand	Anodyne	ACHE	21	42
C[C@@H]1[C@@H](NC(=O)NCCC2SCCS2)CCN1Cc1ccccc1	ZINC000852344339	FG	On-Demand	Anodyne	DRD3	15	47
C=C[C@H](CO)NC(=O)NC[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CC1	ZINC000852344341	FE	On-Demand	Mild	CTSK	15	42
C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852344347	GI	On-Demand	Anodyne	NAAA	46	36
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	CHRM2	15	40
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	DRD2	16	49
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	DRD4	38	49
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	ACHE	35	48
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	CHRM3	24	40
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	LTA4H	15	43
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	SIGMAR1	38	44
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	CCR3	26	41
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	MCHR1	26	45
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852344378	ID	On-Demand	Anodyne	BIRC2	75	46
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	CHRM2	15	40
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	DRD2	16	49
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	DRD4	38	49
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	ACHE	35	48
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	CHRM3	24	40
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	LTA4H	15	43
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	SIGMAR1	38	44
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	CCR3	26	41
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	MCHR1	26	45
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852344379	ID	On-Demand	Anodyne	BIRC2	75	46
N#CCOc1ccc(CN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344418	EF	On-Demand	Mild	SIGMAR1	18	40
CCC1(CC)CCCN(C(=O)NCc2cncn2C)C1	ZINC000852344425	CF	On-Demand	Anodyne	GPR142	22	42
C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852344429	GI	On-Demand	Anodyne	NAAA	46	36
COc1ccc([C@@H]2CCCN2C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC	ZINC000852344463	JF	On-Demand	Anodyne	CPT1A	81	39
COc1ccc(N2CC[C@H](NC(=O)NCCS(=O)(=O)C(C)C)C2)cc1	ZINC000852344503	FD	On-Demand	Clean	MTNR1A	15	45
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344561	GE	On-Demand	Mild	ACOX1	77	35
CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344561	GE	On-Demand	Mild	ABCB1	78	53
CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344562	GE	On-Demand	Mild	ACOX1	77	35
CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344562	GE	On-Demand	Mild	ABCB1	78	53
Cn1cncc1CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852344563	DD	On-Demand	Anodyne	CACNA1I	59	39
Cn1cncc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852344567	EF	On-Demand	Anodyne	SLC6A3	19	45
Cn1cncc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852344567	EF	On-Demand	Anodyne	KCNH2	40	40
Cn1cncc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852344567	EF	On-Demand	Anodyne	EPHX2	17	42
Cn1cncc1CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852344567	EF	On-Demand	Anodyne	GLRA1	43	37
Cn1cncc1CNC(=O)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852344592	DD	On-Demand	Anodyne	CCR3	54	36
Cn1cncc1CNC(=O)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852344593	DD	On-Demand	Anodyne	CCR3	54	36
N#Cc1sccc1N1CCN(C[C@H](O)c2ccc(F)cc2)CC1	ZINC000852344599	EF	On-Demand	Mild	SLC6A3	16	46
N#Cc1sccc1N1CCN(C[C@@H](O)c2ccc(F)cc2)CC1	ZINC000852344600	EF	On-Demand	Mild	SLC6A3	16	46
Cc1ccccc1[C@@H](O)CN1CCN(c2ccsc2C#N)CC1	ZINC000852344601	EF	On-Demand	Mild	ABCB1	41	41
Cc1ccccc1[C@H](O)CN1CCN(c2ccsc2C#N)CC1	ZINC000852344602	EF	On-Demand	Mild	ABCB1	41	41
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCc1noc3c1CCCC3)C2	ZINC000852344644	GF	On-Demand	Anodyne	PANC	49	33
N#Cc1sccc1N1CCN(CCN2CCCC2)CC1	ZINC000852344677	CD	On-Demand	Mild	ADRA1D	19	41
Cn1cncc1CNC(=O)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852344747	GG	On-Demand	Anodyne	BDKRB1	51	36
Cn1cncc1CNC(=O)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852344748	GG	On-Demand	Anodyne	BDKRB1	51	36
Cn1cncc1CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852344760	DD	On-Demand	Anodyne	SIGMAR1	22	40
Cn1cncc1CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852344761	DD	On-Demand	Anodyne	SIGMAR1	22	40
N#Cc1sccc1N1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852344786	ED	On-Demand	Mild	HTR1A	21	47
N#Cc1sccc1N1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852344786	ED	On-Demand	Mild	DRD4	19	41
N#Cc1sccc1N1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852344786	ED	On-Demand	Mild	HTR7	17	47
N#Cc1ccc(OCCCN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344804	FG	On-Demand	Mild	HTR1A	24	42
N#Cc1ccc(OCCCN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344804	FG	On-Demand	Mild	DRD2	27	44
N#Cc1ccc(OCCCN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344804	FG	On-Demand	Mild	HTR2A	16	44
N#Cc1ccc(OCCCN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344804	FG	On-Demand	Mild	DRD3	19	44
N#Cc1ccc(OCCCN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344804	FG	On-Demand	Mild	LTA4H	37	41
N#Cc1ccc(OCCCN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344804	FG	On-Demand	Mild	HRH3	58	45
N#Cc1ccc(OCCCN2CCN(c3ccsc3C#N)CC2)cc1	ZINC000852344804	FG	On-Demand	Mild	MEN1	48	52
N#Cc1sccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000852344805	DF	On-Demand	Mild	DRD4	33	71
CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NCc1cncn1C	ZINC000852344808	DD	On-Demand	Anodyne	GPR142	21	40
CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NCc1cncn1C	ZINC000852344811	DD	On-Demand	Anodyne	GPR142	21	40
C[C@@H]1[C@@H](NC(=O)N[C@@H]2C=CCC2)CCN1Cc1ccccc1	ZINC000852344898	CF	On-Demand	Anodyne	DRD4	15	48
C[C@@H]1[C@@H](NC(=O)N[C@@H]2C=CCC2)CCN1Cc1ccccc1	ZINC000852344898	CF	On-Demand	Anodyne	DRD3	15	48
C[C@@H]1[C@@H](NC(=O)N[C@H]2C=CCC2)CCN1Cc1ccccc1	ZINC000852344899	CF	On-Demand	Anodyne	DRD4	15	48
C[C@@H]1[C@@H](NC(=O)N[C@H]2C=CCC2)CCN1Cc1ccccc1	ZINC000852344899	CF	On-Demand	Anodyne	DRD3	15	48
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CNC(=O)NCc2ncccn2)CC1	ZINC000852344967	GF	On-Demand	Anodyne	ACACB	17	48
COc1cccc([C@]2(C)CCN(C(=O)NCCS(=O)(=O)C(C)C)C2)c1	ZINC000852345021	FE	On-Demand	Anodyne	DRD4	43	32
COc1cccc([C@]2(C)CCN(C(=O)NCCS(=O)(=O)C(C)C)C2)c1	ZINC000852345021	FE	On-Demand	Anodyne	SOAT1	15	40
C[C@@]1(C#N)CCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345112	GG	On-Demand	Mild	SLC12A5	70	38
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852345119	GE	On-Demand	Anodyne	CNR2	27	41
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCC[C@@H](C(N)=O)C1	ZINC000852345120	HC	On-Demand	Anodyne	DPP7	54	34
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCC[C@H](C(N)=O)C1	ZINC000852345121	HC	On-Demand	Anodyne	DPP7	54	34
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852345136	GF	On-Demand	Anodyne	NR2E3	52	33
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000852345192	GG	On-Demand	Anodyne	GRIN2B	30	42
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000852345192	GG	On-Demand	Anodyne	TGM2	37	40
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000852345192	GG	On-Demand	Anodyne	TPSAB1	22	45
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000852345192	GG	On-Demand	Anodyne	F13A1	34	40
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000852345192	GG	On-Demand	Anodyne	NPSR1	27	42
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1	ZINC000852345192	GG	On-Demand	Anodyne	TMPRSS11D	70	36
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000852345193	GG	On-Demand	Anodyne	GRIN2B	30	42
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000852345193	GG	On-Demand	Anodyne	TGM2	37	40
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000852345193	GG	On-Demand	Anodyne	TPSAB1	22	45
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000852345193	GG	On-Demand	Anodyne	F13A1	34	40
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000852345193	GG	On-Demand	Anodyne	NPSR1	27	42
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1	ZINC000852345193	GG	On-Demand	Anodyne	TMPRSS11D	70	36
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000852345194	GG	On-Demand	Anodyne	GRIN2B	30	42
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000852345194	GG	On-Demand	Anodyne	TGM2	37	40
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000852345194	GG	On-Demand	Anodyne	TPSAB1	22	45
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000852345194	GG	On-Demand	Anodyne	F13A1	34	40
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000852345194	GG	On-Demand	Anodyne	NPSR1	27	42
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)cc1	ZINC000852345194	GG	On-Demand	Anodyne	TMPRSS11D	70	36
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000852345195	GG	On-Demand	Anodyne	GRIN2B	30	42
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000852345195	GG	On-Demand	Anodyne	TGM2	37	40
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000852345195	GG	On-Demand	Anodyne	TPSAB1	22	45
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000852345195	GG	On-Demand	Anodyne	F13A1	34	40
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000852345195	GG	On-Demand	Anodyne	NPSR1	27	42
O=C(OCc1ccccc1)c1ccc(CNC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1	ZINC000852345195	GG	On-Demand	Anodyne	TMPRSS11D	70	36
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)c1	ZINC000852345211	IH	On-Demand	Mild	MTNR1A	38	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)c1	ZINC000852345211	IH	On-Demand	Mild	MTNR1B	43	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)c1	ZINC000852345213	IH	On-Demand	Mild	MTNR1A	38	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)c1	ZINC000852345213	IH	On-Demand	Mild	MTNR1B	43	40
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852345217	GD	On-Demand	Bother	SSTR1	56	46
O[C@H]1CC[C@H]2CN(C[C@@H](O)c3ccccc3C(F)(F)F)C[C@H]2C1	ZINC000852345225	EF	On-Demand	Anodyne	RBP4	45	38
O[C@H]1CC[C@H]2CN(C[C@H](O)c3ccccc3C(F)(F)F)C[C@H]2C1	ZINC000852345226	EF	On-Demand	Anodyne	RBP4	45	38
COc1ccc(N2CC[C@H](NC(=O)NCCc3cn[nH]c3)C2)cc1	ZINC000852345249	ED	On-Demand	Clean	MTNR1A	27	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3cn[nH]c3)C2)cc1	ZINC000852345249	ED	On-Demand	Clean	MTNR1B	19	43
COc1cc(CNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)ccc1C#N	ZINC000852345255	GG	On-Demand	Mild	MT-ND1	23	40
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345276	FD	On-Demand	Anodyne	PIK3CA	41	38
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345276	FD	On-Demand	Anodyne	MTOR	81	38
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345276	FD	On-Demand	Anodyne	EPHX2	15	45
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345276	FD	On-Demand	Anodyne	MERTK	20	40
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345276	FD	On-Demand	Anodyne	STAT6	51	31
N#Cc1ccc(OCCCN2C[C@H]3CC[C@@H](O)C[C@H]3C2)cc1	ZINC000852345287	DE	On-Demand	Mild	HRH3	51	53
N#Cc1ccc(OCCCN2C[C@H]3CC[C@@H](O)C[C@H]3C2)cc1	ZINC000852345287	DE	On-Demand	Mild	MEN1	53	47
CC(C)(C)OC(=O)N1CC[C@@H](CCN2C[C@H]3C[C@@H](O)CC[C@H]3C2)C1	ZINC000852345331	EF	On-Demand	Anodyne	GPR119	30	40
C[C@@]1(CNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)CC1(F)F	ZINC000852345396	GH	On-Demand	Anodyne	SLC12A5	52	33
CC[C@@H](C)c1ccc(NC(=O)CN2C[C@H]3C[C@@H](O)CC[C@H]3C2)cc1	ZINC000852345512	EG	On-Demand	Anodyne	SCN2A	18	42
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852345523	GH	On-Demand	Anodyne	SLC12A5	65	33
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H]1COC2(CCC2)C1	ZINC000852345523	GH	On-Demand	Anodyne	TMPRSS11D	41	33
COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CCN(C)CC3)C2)cc1	ZINC000852345524	GE	On-Demand	Clean	MTNR1A	16	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(SC)CCN(C)CC3)C2)cc1	ZINC000852345524	GE	On-Demand	Clean	MTNR1B	17	43
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852345525	GH	On-Demand	Anodyne	SLC12A5	65	33
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H]1COC2(CCC2)C1	ZINC000852345525	GH	On-Demand	Anodyne	TMPRSS11D	41	33
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[C@@H](c4ccccc4)O3)C2)cc1	ZINC000852345528	GG	On-Demand	Clean	MTNR1B	15	43
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc2ccccc2c1	ZINC000852345545	DF	On-Demand	Anodyne	DRD4	16	41
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc2ccccc2c1	ZINC000852345545	DF	On-Demand	Anodyne	IMDH_CRYPV	26	42
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1cccnc1Cl	ZINC000852345552	DD	On-Demand	Anodyne	G2YM83_BOTF4	66	34
COC1CC(CCNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345562	GH	On-Demand	Anodyne	FURIN	40	31
COC1CC(CCNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345562	GH	On-Demand	Anodyne	EPHX2	17	43
COC1CC(CCNC(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345562	GH	On-Demand	Anodyne	TMPRSS11D	42	32
O=C(NCCc1cn[nH]c1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852345568	EE	On-Demand	Anodyne	ADRB1	17	42
O=C(NCCc1cn[nH]c1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852345569	EE	On-Demand	Anodyne	ADRB1	17	42
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)OCc1ccccc1	ZINC000852345572	CD	On-Demand	Anodyne	SLC12A5	69	39
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C#N)c(OC)c3)C2)cc1	ZINC000852345575	GF	On-Demand	Mild	MCHR1	17	46
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852345580	FD	On-Demand	Anodyne	PLG	63	34
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852345580	FD	On-Demand	Anodyne	TRYP_PIG	49	33
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852345580	FD	On-Demand	Anodyne	PROC	66	34
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852345583	FD	On-Demand	Anodyne	PLG	63	34
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852345583	FD	On-Demand	Anodyne	TRYP_PIG	49	33
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852345583	FD	On-Demand	Anodyne	PROC	66	34
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H](CO)C1CCC1	ZINC000852345588	GG	On-Demand	Anodyne	FURIN	42	35
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H](CO)C1CCC1	ZINC000852345588	GG	On-Demand	Anodyne	CAPN2	51	34
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H](CO)C1CCC1	ZINC000852345588	GG	On-Demand	Anodyne	PROC	64	39
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H](CO)C1CCC1	ZINC000852345588	GG	On-Demand	Anodyne	BIRC2	15	40
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@@H](CO)C1CCC1	ZINC000852345588	GG	On-Demand	Anodyne	TMPRSS11D	73	37
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H](CO)C1CCC1	ZINC000852345590	GG	On-Demand	Anodyne	FURIN	42	35
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H](CO)C1CCC1	ZINC000852345590	GG	On-Demand	Anodyne	CAPN2	51	34
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H](CO)C1CCC1	ZINC000852345590	GG	On-Demand	Anodyne	PROC	64	39
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H](CO)C1CCC1	ZINC000852345590	GG	On-Demand	Anodyne	BIRC2	15	40
O=C(NCc1ccc(C(=O)OCc2ccccc2)cc1)N[C@H](CO)C1CCC1	ZINC000852345590	GG	On-Demand	Anodyne	TMPRSS11D	73	37
O=c1cc(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)c2ccc(O)cc2o1	ZINC000852345609	DE	On-Demand	Anodyne	HSD17B3	35	50
C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852345632	HF	On-Demand	Anodyne	ACE	25	40
C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000852345634	HF	On-Demand	Anodyne	ACE	25	40
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852345637	FD	On-Demand	Reactive	CACNA1I	32	41
COCC[C@@H](COC)NC(=O)NNc1ccc(Cl)cn1	ZINC000852345638	DD	On-Demand	Reactive	F10	47	30
COCC[C@H](COC)NC(=O)NNc1ccc(Cl)cn1	ZINC000852345640	DD	On-Demand	Reactive	F10	47	30
O=C(Cc1ccccc1)OCCN1C[C@H]2CC[C@@H](O)C[C@H]2C1	ZINC000852345659	DD	On-Demand	Anodyne	LTA4H	18	40
O=C(CCN1C[C@H]2CC[C@@H](O)C[C@H]2C1)OCc1ccccc1	ZINC000852345683	DE	On-Demand	Anodyne	SLC12A5	61	37
CCCCC[C@@H](C)NC(=O)CN1C[C@H]2C[C@@H](O)CC[C@H]2C1	ZINC000852345724	CE	On-Demand	Anodyne	NOD1	51	33
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852345725	FG	On-Demand	Anodyne	CHRNA7	16	44
O=C(CN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852345725	FG	On-Demand	Anodyne	SLC1A2	21	41
CSc1ccc(NC(=O)[C@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)cc1	ZINC000852345728	GI	On-Demand	Mild	PPO2	18	42
CSc1ccc(NC(=O)[C@@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)cc1	ZINC000852345729	GI	On-Demand	Mild	PPO2	18	42
CN(CC1=CCSC1)C(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1	ZINC000852345737	GH	On-Demand	Anodyne	FURIN	41	33
C[C@@]12COC[C@H]1CN(C(=O)NCc1ccc(C(=O)OCc3ccccc3)cc1)C2	ZINC000852345744	GG	On-Demand	Anodyne	TMPRSS11D	40	33
C[C@@]12COC[C@@H]1CN(C(=O)NCc1ccc(C(=O)OCc3ccccc3)cc1)C2	ZINC000852345745	GG	On-Demand	Anodyne	TMPRSS11D	40	33
COC(=O)N(C)CCNC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1	ZINC000852345757	GF	On-Demand	Anodyne	FURIN	43	33
COC(=O)N(C)CCNC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1	ZINC000852345757	GF	On-Demand	Anodyne	TPSAB1	15	41
COC(=O)N(C)CCNC(=O)NCc1ccc(C(=O)OCc2ccccc2)cc1	ZINC000852345757	GF	On-Demand	Anodyne	NPR	43	32
O=C(CCN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345761	FD	On-Demand	Anodyne	MTOR	54	37
O=C(CCN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345761	FD	On-Demand	Anodyne	EPHX2	20	43
O=C(CCN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345761	FD	On-Demand	Anodyne	TERT	15	40
O=C(CCN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345761	FD	On-Demand	Anodyne	MERTK	25	41
O=C(CCN1C[C@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852345761	FD	On-Demand	Anodyne	STAT6	42	30
O[C@H]1CC[C@H]2CN(C[C@@H](O)c3ccc(F)cc3)C[C@H]2C1	ZINC000852345771	CD	On-Demand	Anodyne	SLC6A3	32	41
O[C@H]1CC[C@H]2CN(C[C@H](O)c3ccc(F)cc3)C[C@H]2C1	ZINC000852345772	CD	On-Demand	Anodyne	SLC6A3	32	41
N#CC[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345780	GH	On-Demand	Mild	CTSK	19	41
N#CC[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345780	GH	On-Demand	Mild	CTSL	15	41
N#CC[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345780	GH	On-Demand	Mild	PREP	42	44
N#CC[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345780	GH	On-Demand	Mild	LGMN	69	39
N#CC[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345780	GH	On-Demand	Mild	PROC	46	36
N#CC[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345780	GH	On-Demand	Mild	TMPRSS11D	79	39
N#CC[C@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345781	GH	On-Demand	Mild	CTSK	19	41
N#CC[C@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345781	GH	On-Demand	Mild	CTSL	15	41
N#CC[C@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345781	GH	On-Demand	Mild	PREP	42	44
N#CC[C@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345781	GH	On-Demand	Mild	LGMN	69	39
N#CC[C@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345781	GH	On-Demand	Mild	PROC	46	36
N#CC[C@H]1CCCN(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)C1	ZINC000852345781	GH	On-Demand	Mild	TMPRSS11D	79	39
O=C(OCc1ccccc1)N1CCC(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1	ZINC000852345803	FG	On-Demand	Anodyne	GRIN2B	50	51
O=C(OCc1ccccc1)N1CCC(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1	ZINC000852345803	FG	On-Demand	Anodyne	PREP	29	41
O=C(OCc1ccccc1)N1CCC(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1	ZINC000852345803	FG	On-Demand	Anodyne	TGM2	38	43
O=C(OCc1ccccc1)N1CCC(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1	ZINC000852345803	FG	On-Demand	Anodyne	F13A1	49	43
O=C(OCc1ccccc1)N1CCC(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1	ZINC000852345803	FG	On-Demand	Anodyne	CCR8	15	41
O=C(OCc1ccccc1)N1CCC(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1	ZINC000852345803	FG	On-Demand	Anodyne	SLC12A5	57	37
NC(=O)[C@@](O)(CN1C[C@H]2C[C@@H](O)CC[C@H]2C1)c1ccccc1	ZINC000852345881	DC	On-Demand	Anodyne	CHRM2	19	45
NC(=O)[C@@](O)(CN1C[C@H]2C[C@@H](O)CC[C@H]2C1)c1ccccc1	ZINC000852345881	DC	On-Demand	Anodyne	CHRM3	32	45
CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2C[C@H]3C[C@@H](O)CC[C@H]3C2)CC1	ZINC000852345977	FE	On-Demand	Anodyne	GPR119	27	40
N#Cc1ccc(C(=O)NNC(=O)CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)cc1	ZINC000852346149	EC	On-Demand	Reactive	CTRB_BOVIN	43	30
COc1cc(CNC(=O)N2CCC(N3CCOC3=O)CC2)ccc1C#N	ZINC000852346164	FD	On-Demand	Mild	KCNJ1	19	42
O=C(NCCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346210	GH	On-Demand	Anodyne	DRD4	25	42
O=C(NCCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346210	GH	On-Demand	Anodyne	ACHE	35	46
O=C(NCCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346210	GH	On-Demand	Anodyne	HRH2	23	41
O=C(NCCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346210	GH	On-Demand	Anodyne	SIGMAR1	33	46
O=C(NCCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346210	GH	On-Demand	Anodyne	CCR3	39	48
O=C(NCCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346211	GH	On-Demand	Anodyne	DRD4	25	42
O=C(NCCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346211	GH	On-Demand	Anodyne	ACHE	35	46
O=C(NCCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346211	GH	On-Demand	Anodyne	HRH2	23	41
O=C(NCCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346211	GH	On-Demand	Anodyne	SIGMAR1	33	46
O=C(NCCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346211	GH	On-Demand	Anodyne	CCR3	39	48
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(Cl)cc1	ZINC000852346223	FG	On-Demand	Mild	CACNA1I	67	39
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(Cl)cc1	ZINC000852346224	FG	On-Demand	Mild	CACNA1I	67	39
C#C[C@@H](NC(=O)NCCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852346228	DE	On-Demand	Mild	UTS2	44	35
C#C[C@H](NC(=O)NCCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852346229	DE	On-Demand	Mild	UTS2	44	35
C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccc(Cl)cc1	ZINC000852346238	FF	On-Demand	Mild	CCR1	41	44
C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccc(Cl)cc1	ZINC000852346239	FF	On-Demand	Mild	CCR1	41	44
C#C[C@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccc(Cl)cc1	ZINC000852346240	FF	On-Demand	Mild	CCR1	41	44
C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccc(Cl)cc1	ZINC000852346241	FF	On-Demand	Mild	CCR1	41	44
C#C[C@H](NC(=O)N(C)CC1CN(C)C1)c1ccc(Cl)cc1	ZINC000852346258	DE	On-Demand	Mild	UTS2	42	34
C#C[C@@H](NC(=O)N(C)CC1CN(C)C1)c1ccc(Cl)cc1	ZINC000852346259	DE	On-Demand	Mild	UTS2	42	34
CC[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852346289	DD	On-Demand	Clean	MTNR1A	16	48
CC[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852346289	DD	On-Demand	Clean	MTNR1B	16	48
CC[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852346291	DD	On-Demand	Clean	MTNR1A	16	48
CC[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852346291	DD	On-Demand	Clean	MTNR1B	16	48
CC[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)OC	ZINC000852346319	FE	On-Demand	Anodyne	TPP2	53	33
CC[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)OC	ZINC000852346321	FE	On-Demand	Anodyne	TPP2	53	33
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346377	GH	On-Demand	Mild	ACHE	19	42
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346377	GH	On-Demand	Mild	SIGMAR1	20	40
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346377	GH	On-Demand	Mild	PRCP	16	40
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346377	GH	On-Demand	Mild	MCHR1	18	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346377	GH	On-Demand	Mild	CACNA1I	59	42
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346378	GH	On-Demand	Mild	ACHE	19	42
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346378	GH	On-Demand	Mild	SIGMAR1	20	40
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346378	GH	On-Demand	Mild	PRCP	16	40
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346378	GH	On-Demand	Mild	MCHR1	18	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1	ZINC000852346378	GH	On-Demand	Mild	CACNA1I	59	42
COc1ccc([C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c2ccccc2)cc1	ZINC000852346393	GF	On-Demand	Reactive	MMP2	19	43
COc1ccc([C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c2ccccc2)cc1	ZINC000852346393	GF	On-Demand	Reactive	MMP3	25	43
COc1ccc([C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c2ccccc2)cc1	ZINC000852346393	GF	On-Demand	Reactive	MMP1	28	40
COc1ccc([C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c2ccccc2)cc1	ZINC000852346395	GF	On-Demand	Reactive	MMP2	19	43
COc1ccc([C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c2ccccc2)cc1	ZINC000852346395	GF	On-Demand	Reactive	MMP3	25	43
COc1ccc([C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c2ccccc2)cc1	ZINC000852346395	GF	On-Demand	Reactive	MMP1	28	40
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MMP13	32	41
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MTNR1A	30	42
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MTNR1B	31	42
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MMP2	22	41
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MMP3	42	41
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MMP8	21	41
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MMP9	33	41
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MMP7	29	41
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	MMP1	38	41
COc1ccc([C@@H](NCC(=O)NNC(=O)C2CC2)c2ccccc2)cc1	ZINC000852346408	FD	On-Demand	Reactive	BIRC8	43	30
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852346414	EG	On-Demand	Anodyne	DRD4	30	44
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852346414	EG	On-Demand	Anodyne	SIGMAR1	36	47
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@H]1C=CCC1	ZINC000852346414	EG	On-Demand	Anodyne	CCR3	48	46
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852346417	EG	On-Demand	Anodyne	DRD4	30	44
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852346417	EG	On-Demand	Anodyne	SIGMAR1	36	47
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@@H]1C=CCC1	ZINC000852346417	EG	On-Demand	Anodyne	CCR3	48	46
C#C[C@@H](NC(=O)N(C)Cc1nnc(C)s1)c1ccc(Cl)cc1	ZINC000852346423	EG	On-Demand	Mild	UTS2	41	33
C#C[C@H](NC(=O)N(C)Cc1nnc(C)s1)c1ccc(Cl)cc1	ZINC000852346424	EG	On-Demand	Mild	UTS2	41	33
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852346426	FG	On-Demand	Anodyne	DRD4	21	41
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852346426	FG	On-Demand	Anodyne	SIGMAR1	34	43
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852346426	FG	On-Demand	Anodyne	CCR3	30	43
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@@H]1COC2(CCC2)C1	ZINC000852346426	FG	On-Demand	Anodyne	CACNA1G	15	42
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852346428	FG	On-Demand	Anodyne	DRD4	21	41
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852346428	FG	On-Demand	Anodyne	SIGMAR1	34	43
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852346428	FG	On-Demand	Anodyne	CCR3	30	43
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)N[C@H]1COC2(CCC2)C1	ZINC000852346428	FG	On-Demand	Anodyne	CACNA1G	15	42
CCc1nnc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)s1	ZINC000852346480	GG	On-Demand	Anodyne	ROCK2	20	40
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346488	FE	On-Demand	Reactive	MMP2	19	41
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346488	FE	On-Demand	Reactive	MMP3	26	41
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346488	FE	On-Demand	Reactive	CAPN1	21	40
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346488	FE	On-Demand	Reactive	MMP1	28	40
CCC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346488	FE	On-Demand	Reactive	BIRC8	44	31
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346489	FE	On-Demand	Reactive	MMP2	19	41
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346489	FE	On-Demand	Reactive	MMP3	26	41
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346489	FE	On-Demand	Reactive	CAPN1	21	40
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346489	FE	On-Demand	Reactive	MMP1	28	40
CCC(=O)NNC(=O)[C@H](C)N[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346489	FE	On-Demand	Reactive	BIRC8	44	31
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346490	FE	On-Demand	Reactive	MMP2	19	41
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346490	FE	On-Demand	Reactive	MMP3	26	41
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346490	FE	On-Demand	Reactive	CAPN1	21	40
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346490	FE	On-Demand	Reactive	MMP1	28	40
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346490	FE	On-Demand	Reactive	BIRC8	44	31
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346491	FE	On-Demand	Reactive	MMP2	19	41
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346491	FE	On-Demand	Reactive	MMP3	26	41
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346491	FE	On-Demand	Reactive	CAPN1	21	40
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346491	FE	On-Demand	Reactive	MMP1	28	40
CCC(=O)NNC(=O)[C@H](C)N[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346491	FE	On-Demand	Reactive	BIRC8	44	31
C#C[C@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852346496	EE	On-Demand	Mild	UTS2	47	37
C#C[C@@H](NC(=O)N(C)CCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852346497	EE	On-Demand	Mild	UTS2	47	37
C#C[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1	ZINC000852346507	DF	On-Demand	Mild	CCR1	48	40
C#C[C@H](NC(=O)N1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1	ZINC000852346508	DF	On-Demand	Mild	CCR1	48	40
C#C[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1	ZINC000852346509	DF	On-Demand	Mild	CCR1	48	40
C#C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1	ZINC000852346510	DF	On-Demand	Mild	CCR1	48	40
CO[C@@H](C)[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852346516	FG	On-Demand	Anodyne	FPR1	43	35
COc1ccc([C@@H](NCCCNC(=O)C(F)(F)F)c2ccccc2)cc1	ZINC000852346568	FG	On-Demand	Anodyne	NQO2	16	46
COc1ccc([C@@H](NCCCNC(=O)C(F)(F)F)c2ccccc2)cc1	ZINC000852346568	FG	On-Demand	Anodyne	MTNR1A	30	42
COc1ccc([C@@H](NCCCNC(=O)C(F)(F)F)c2ccccc2)cc1	ZINC000852346568	FG	On-Demand	Anodyne	MTNR1B	30	41
C#C[C@@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346571	GG	On-Demand	Mild	SIGMAR1	23	41
C#C[C@@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346571	GG	On-Demand	Mild	CCR3	21	43
C#C[C@@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346571	GG	On-Demand	Mild	PGA5	42	31
C#C[C@@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346571	GG	On-Demand	Mild	PDE8B	15	40
C#C[C@@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346571	GG	On-Demand	Mild	BIRC2	17	41
C#C[C@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346572	GG	On-Demand	Mild	SIGMAR1	23	41
C#C[C@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346572	GG	On-Demand	Mild	CCR3	21	43
C#C[C@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346572	GG	On-Demand	Mild	PGA5	42	31
C#C[C@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346572	GG	On-Demand	Mild	PDE8B	15	40
C#C[C@H](NC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346572	GG	On-Demand	Mild	BIRC2	17	41
C#C[C@@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346573	GG	On-Demand	Mild	SIGMAR1	23	41
C#C[C@@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346573	GG	On-Demand	Mild	CCR3	21	43
C#C[C@@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346573	GG	On-Demand	Mild	PGA5	42	31
C#C[C@@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346573	GG	On-Demand	Mild	PDE8B	15	40
C#C[C@@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346573	GG	On-Demand	Mild	BIRC2	17	41
C#C[C@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346574	GG	On-Demand	Mild	SIGMAR1	23	41
C#C[C@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346574	GG	On-Demand	Mild	CCR3	21	43
C#C[C@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346574	GG	On-Demand	Mild	PGA5	42	31
C#C[C@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346574	GG	On-Demand	Mild	PDE8B	15	40
C#C[C@H](NC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1)C1CCOCC1	ZINC000852346574	GG	On-Demand	Mild	BIRC2	17	41
C#C[C@H](NC(=O)N(C)CC1=CCSC1)c1ccc(Cl)cc1	ZINC000852346586	DG	On-Demand	Mild	UTS2	40	31
C#C[C@@H](NC(=O)N(C)CC1=CCSC1)c1ccc(Cl)cc1	ZINC000852346587	DG	On-Demand	Mild	UTS2	40	31
COC(=O)/C(C)=C/CN[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346598	EG	On-Demand	Anodyne	MTNR1A	21	40
COC(=O)/C(C)=C/CN[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346598	EG	On-Demand	Anodyne	MTNR1B	25	40
COC(=O)/C(C)=C/CN[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346599	EG	On-Demand	Anodyne	MTNR1A	21	40
COC(=O)/C(C)=C/CN[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346599	EG	On-Demand	Anodyne	MTNR1B	25	40
COC(=O)/C(C)=C\CN[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346600	EG	On-Demand	Anodyne	MTNR1A	21	40
COC(=O)/C(C)=C\CN[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346600	EG	On-Demand	Anodyne	MTNR1B	25	40
COC(=O)/C(C)=C\CN[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346601	EG	On-Demand	Anodyne	MTNR1A	21	40
COC(=O)/C(C)=C\CN[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000852346601	EG	On-Demand	Anodyne	MTNR1B	25	40
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)Cn1cnc2ncccc2c1=O	ZINC000852346669	JG	On-Demand	Anodyne	NR5A1	19	40
COc1ccc([C@@H](NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346683	HK	On-Demand	Anodyne	MMP13	28	44
COc1ccc([C@@H](NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346683	HK	On-Demand	Anodyne	MMP3	31	45
COc1ccc([C@@H](NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346683	HK	On-Demand	Anodyne	MMP8	17	44
COc1ccc([C@@H](NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346683	HK	On-Demand	Anodyne	MMP9	27	45
COc1ccc([C@@H](NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346683	HK	On-Demand	Anodyne	MMP1	29	45
COc1ccc([C@@H](NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346683	HK	On-Demand	Anodyne	GPR119	38	43
COc1ccc([C@@H](NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346685	HK	On-Demand	Anodyne	MMP13	28	44
COc1ccc([C@@H](NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346685	HK	On-Demand	Anodyne	MMP3	31	45
COc1ccc([C@@H](NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346685	HK	On-Demand	Anodyne	MMP8	17	44
COc1ccc([C@@H](NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346685	HK	On-Demand	Anodyne	MMP9	27	45
COc1ccc([C@@H](NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346685	HK	On-Demand	Anodyne	MMP1	29	45
COc1ccc([C@@H](NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2ccccc2)cc1	ZINC000852346685	HK	On-Demand	Anodyne	GPR119	38	43
COc1ccc([C@@H](NCCC(OC)OC)c2ccccc2)cc1	ZINC000852346756	DG	On-Demand	Anodyne	AOC3	15	40
CC[C@@H](CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)OC	ZINC000852346758	FG	On-Demand	Anodyne	PDS	74	38
C#C[C@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852346808	GG	On-Demand	Mild	CACNA1I	54	33
C#C[C@@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000852346809	GG	On-Demand	Mild	CACNA1I	54	33
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346810	GE	On-Demand	Anodyne	DRD2	15	46
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346810	GE	On-Demand	Anodyne	DRD4	26	46
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346810	GE	On-Demand	Anodyne	ACHE	31	43
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346810	GE	On-Demand	Anodyne	HRH2	27	41
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346810	GE	On-Demand	Anodyne	SLC6A1	51	32
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346810	GE	On-Demand	Anodyne	SIGMAR1	35	42
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346810	GE	On-Demand	Anodyne	CCR3	39	44
COC(=O)N(C)CCNC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346810	GE	On-Demand	Anodyne	CCR5	18	45
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346811	GE	On-Demand	Anodyne	DRD2	15	46
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346811	GE	On-Demand	Anodyne	DRD4	26	46
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346811	GE	On-Demand	Anodyne	ACHE	31	43
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346811	GE	On-Demand	Anodyne	HRH2	27	41
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346811	GE	On-Demand	Anodyne	SLC6A1	51	32
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346811	GE	On-Demand	Anodyne	SIGMAR1	35	42
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346811	GE	On-Demand	Anodyne	CCR3	39	44
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852346811	GE	On-Demand	Anodyne	CCR5	18	45
C#C[C@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccc(Cl)cc1	ZINC000852346813	FE	On-Demand	Mild	UTS2	41	33
C#C[C@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccc(Cl)cc1	ZINC000852346814	FE	On-Demand	Mild	UTS2	41	33
C#C[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccc(Cl)cc1	ZINC000852346815	FE	On-Demand	Mild	UTS2	41	33
C#C[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccc(Cl)cc1	ZINC000852346816	FE	On-Demand	Mild	UTS2	41	33
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1	ZINC000852346854	FH	On-Demand	Mild	SCN2A	22	52
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1	ZINC000852346854	FH	On-Demand	Mild	AKT3	55	34
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1	ZINC000852346854	FH	On-Demand	Mild	SCN10A	33	52
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1	ZINC000852346855	FH	On-Demand	Mild	SCN2A	22	52
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1	ZINC000852346855	FH	On-Demand	Mild	AKT3	55	34
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(Cl)cc1	ZINC000852346855	FH	On-Demand	Mild	SCN10A	33	52
CO[C@@H](C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852346867	DF	On-Demand	Anodyne	SOAT1	27	40
CO[C@@H](C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852346868	DF	On-Demand	Anodyne	SOAT1	27	40
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852346898	GE	On-Demand	Reactive	DRD4	26	45
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852346898	GE	On-Demand	Reactive	ACHE	20	40
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852346898	GE	On-Demand	Reactive	SIGMAR1	26	45
O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)NNC(=O)c1cccc(F)n1	ZINC000852346898	GE	On-Demand	Reactive	CCR3	66	47
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCCCN(Cc4ccccc4)C3)C2)N1	ZINC000852346972	GF	On-Demand	Anodyne	SIGMAR1	19	43
O=C1CCC2=C(CCN(C(=O)NC[C@@H]3CCCCN(Cc4ccccc4)C3)C2)N1	ZINC000852346972	GF	On-Demand	Anodyne	CCR3	18	42
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCCCN(Cc4ccccc4)C3)C2)N1	ZINC000852346973	GF	On-Demand	Anodyne	SIGMAR1	19	43
O=C1CCC2=C(CCN(C(=O)NC[C@H]3CCCCN(Cc4ccccc4)C3)C2)N1	ZINC000852346973	GF	On-Demand	Anodyne	CCR3	18	42
COc1ccc([C@@H](NCC(=O)NNC(=O)C(C)(C)C)c2ccccc2)cc1	ZINC000852346986	FF	On-Demand	Reactive	MMP1	18	40
COc1ccc([C@@H](NCC(=O)NNC(=O)C(C)C)c2ccccc2)cc1	ZINC000852347004	FE	On-Demand	Reactive	MTNR1A	20	40
COc1ccc([C@@H](NCC(=O)NNC(=O)C(C)C)c2ccccc2)cc1	ZINC000852347004	FE	On-Demand	Reactive	MMP2	20	41
COc1ccc([C@@H](NCC(=O)NNC(=O)C(C)C)c2ccccc2)cc1	ZINC000852347004	FE	On-Demand	Reactive	MMP3	23	41
CO[C@@H](C)[C@@H](C)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852347027	GG	On-Demand	Anodyne	GPR119	25	43
CO[C@@H](C)[C@@H](C)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852347028	GG	On-Demand	Anodyne	GPR119	25	43
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	DRD2	16	45
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	DRD4	33	43
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	ACHE	32	44
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	HRH2	23	44
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	HTR4	23	40
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	HRH3	15	40
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	SIGMAR1	40	46
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	CCR3	43	51
O=C(NCc1ncccn1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347092	FF	On-Demand	Anodyne	BIRC2	21	43
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	DRD2	16	45
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	DRD4	33	43
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	ACHE	32	44
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	HRH2	23	44
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	HTR4	23	40
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	HRH3	15	40
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	SIGMAR1	40	46
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	CCR3	43	51
O=C(NCc1ncccn1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347093	FF	On-Demand	Anodyne	BIRC2	21	43
COCCN(CCF)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347167	FF	On-Demand	Anodyne	DRD2	30	47
COCCN(CCF)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347167	FF	On-Demand	Anodyne	DRD4	31	47
COCCN(CCF)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347167	FF	On-Demand	Anodyne	ACHE	28	42
COCCN(CCF)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347167	FF	On-Demand	Anodyne	SLC6A1	104	35
COCCN(CCF)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347167	FF	On-Demand	Anodyne	DRD3	25	47
COCCN(CCF)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347167	FF	On-Demand	Anodyne	HTR4	40	42
COCCN(CCF)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347167	FF	On-Demand	Anodyne	SIGMAR1	36	43
COCCN(CCF)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347167	FF	On-Demand	Anodyne	CCR3	29	43
COCCN(CCF)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347168	FF	On-Demand	Anodyne	DRD2	30	47
COCCN(CCF)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347168	FF	On-Demand	Anodyne	DRD4	31	47
COCCN(CCF)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347168	FF	On-Demand	Anodyne	ACHE	28	42
COCCN(CCF)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347168	FF	On-Demand	Anodyne	SLC6A1	104	35
COCCN(CCF)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347168	FF	On-Demand	Anodyne	DRD3	25	47
COCCN(CCF)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347168	FF	On-Demand	Anodyne	HTR4	40	42
COCCN(CCF)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347168	FF	On-Demand	Anodyne	SIGMAR1	36	43
COCCN(CCF)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347168	FF	On-Demand	Anodyne	CCR3	29	43
O=C(Cn1cnc2ncccc2c1=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000852347169	GH	On-Demand	Clean	IMDH_CRYPV	57	36
CC[C@@H](CNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)OC	ZINC000852347175	GG	On-Demand	Anodyne	GPR119	27	41
CC[C@@H](CNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)OC	ZINC000852347177	GG	On-Demand	Anodyne	GPR119	27	41
O=C(NOC/C=C\Cl)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852347236	EG	On-Demand	Anodyne	TRPM8	28	51
O=C(NOC/C=C/Cl)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852347237	EG	On-Demand	Anodyne	TRPM8	28	51
CO[C@@H](C)CNC(=O)NO[C@@H](C)c1ccccc1	ZINC000852347260	CE	On-Demand	Anodyne	CAPN2	62	35
CO[C@@H](C)CNC(=O)NO[C@H](C)c1ccccc1	ZINC000852347261	CE	On-Demand	Anodyne	CAPN2	62	35
CC[C@@H](CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)OC	ZINC000852347292	EF	On-Demand	Anodyne	PDS	39	40
CC[C@@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)OC	ZINC000852347294	EF	On-Demand	Anodyne	PDS	39	40
C[C@@H](ONC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852347318	ED	On-Demand	Anodyne	F2	41	40
C[C@@H](ONC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852347318	ED	On-Demand	Anodyne	TRY1_BOVIN	48	40
C[C@@H](ONC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852347318	ED	On-Demand	Anodyne	TMPRSS11D	46	34
C#C[C@H](NC(=O)N(CCF)CCOC)c1ccc(Cl)cc1	ZINC000852347332	DF	On-Demand	Mild	UTS2	43	34
C#C[C@@H](NC(=O)N(CCF)CCOC)c1ccc(Cl)cc1	ZINC000852347333	DF	On-Demand	Mild	UTS2	43	34
CC[C@@H](CNC(=O)NC[C@@H](O)c1cccc2ccccc12)OC	ZINC000852347336	DF	On-Demand	Anodyne	PDS	66	38
CC[C@@H](CNC(=O)NC[C@H](O)c1cccc2ccccc12)OC	ZINC000852347337	DF	On-Demand	Anodyne	PDS	66	38
C#C[C@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccc(Cl)cc1	ZINC000852347343	DF	On-Demand	Mild	BIRC2	31	40
C#C[C@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccc(Cl)cc1	ZINC000852347344	DF	On-Demand	Mild	BIRC2	31	40
C#C[C@@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccc(Cl)cc1	ZINC000852347345	DF	On-Demand	Mild	BIRC2	31	40
C#C[C@@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccc(Cl)cc1	ZINC000852347346	DF	On-Demand	Mild	BIRC2	31	40
CO[C@@H](C)[C@@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852347365	EF	On-Demand	Anodyne	CTSK	15	40
O=C(NCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347378	GG	On-Demand	Anodyne	DRD4	28	44
O=C(NCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347378	GG	On-Demand	Anodyne	ACHE	31	40
O=C(NCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347378	GG	On-Demand	Anodyne	SLC6A1	51	33
O=C(NCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347378	GG	On-Demand	Anodyne	SIGMAR1	45	47
O=C(NCC1SCCS1)NC[C@@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347378	GG	On-Demand	Anodyne	CCR3	42	51
O=C(NCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347379	GG	On-Demand	Anodyne	DRD4	28	44
O=C(NCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347379	GG	On-Demand	Anodyne	ACHE	31	40
O=C(NCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347379	GG	On-Demand	Anodyne	SLC6A1	51	33
O=C(NCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347379	GG	On-Demand	Anodyne	SIGMAR1	45	47
O=C(NCC1SCCS1)NC[C@H]1CCCCN(Cc2ccccc2)C1	ZINC000852347379	GG	On-Demand	Anodyne	CCR3	42	51
CC[C@@H](C)CCNC(=O)NO[C@H](C)c1ccccc1	ZINC000852347468	CG	On-Demand	Anodyne	CAPN2	59	36
CC[C@@H](C)CCNC(=O)NO[C@H](C)c1ccccc1	ZINC000852347468	CG	On-Demand	Anodyne	PDS	52	37
CC[C@@H](C)CCNC(=O)NO[C@@H](C)c1ccccc1	ZINC000852347469	CG	On-Demand	Anodyne	CAPN2	59	36
CC[C@@H](C)CCNC(=O)NO[C@@H](C)c1ccccc1	ZINC000852347469	CG	On-Demand	Anodyne	PDS	52	37
Cc1ccncc1CCNC(=O)NO[C@@H](C)c1ccccc1	ZINC000852347476	CF	On-Demand	Anodyne	KCNA5	23	42
Cc1ccncc1CCNC(=O)NO[C@H](C)c1ccccc1	ZINC000852347477	CF	On-Demand	Anodyne	KCNA5	23	42
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC/C=C/Cl	ZINC000852347495	DE	On-Demand	Anodyne	SIGMAR1	22	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC/C=C\Cl	ZINC000852347496	DE	On-Demand	Anodyne	SIGMAR1	22	41
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC/C=C\Cl	ZINC000852347497	DE	On-Demand	Anodyne	SIGMAR1	22	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC/C=C/Cl	ZINC000852347498	DE	On-Demand	Anodyne	SIGMAR1	22	41
C[C@@H](ONC(=O)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852347517	DD	On-Demand	Anodyne	BIRC8	57	37
C[C@@H](ONC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852347518	DD	On-Demand	Anodyne	BIRC8	57	37
COc1cccc(OC)c1CNC(=O)NO[C@H](C)c1ccccc1	ZINC000852347531	EG	On-Demand	Anodyne	F9	43	33
COc1cccc(OC)c1CNC(=O)NO[C@H](C)c1ccccc1	ZINC000852347531	EG	On-Demand	Anodyne	KCNA3	35	43
COc1cccc(OC)c1CNC(=O)NO[C@H](C)c1ccccc1	ZINC000852347531	EG	On-Demand	Anodyne	SOAT1	34	43
COc1cccc(OC)c1CNC(=O)NO[C@H](C)c1ccccc1	ZINC000852347531	EG	On-Demand	Anodyne	PDS	43	35
COc1cccc(OC)c1CNC(=O)NO[C@@H](C)c1ccccc1	ZINC000852347532	EG	On-Demand	Anodyne	F9	43	33
COc1cccc(OC)c1CNC(=O)NO[C@@H](C)c1ccccc1	ZINC000852347532	EG	On-Demand	Anodyne	KCNA3	35	43
COc1cccc(OC)c1CNC(=O)NO[C@@H](C)c1ccccc1	ZINC000852347532	EG	On-Demand	Anodyne	SOAT1	34	43
COc1cccc(OC)c1CNC(=O)NO[C@@H](C)c1ccccc1	ZINC000852347532	EG	On-Demand	Anodyne	PDS	43	35
C[C@@H](ONC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852347554	GJ	On-Demand	Anodyne	CCKAR	19	44
C[C@@H](ONC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852347554	GJ	On-Demand	Anodyne	FPR1	48	35
C[C@@H](ONC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852347554	GJ	On-Demand	Anodyne	PDS	69	39
CCO[C@@H]1C[C@@H](NC(=O)NO[C@H](C)c2ccccc2)C1	ZINC000852347555	CF	On-Demand	Anodyne	TIMP3	68	35
CCO[C@@H]1C[C@@H](NC(=O)NO[C@@H](C)c2ccccc2)C1	ZINC000852347556	CF	On-Demand	Anodyne	TIMP3	68	35
O=C(NOC/C=C\Cl)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852347561	FF	On-Demand	Anodyne	SSTR3	33	47
O=C(NOC/C=C/Cl)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852347562	FF	On-Demand	Anodyne	SSTR3	33	47
O=C(NCC1CCN(CC2CC2)CC1)NOC/C=C\Cl	ZINC000852347563	DE	On-Demand	Anodyne	CACNA1I	50	35
O=C(NCC1CCN(CC2CC2)CC1)NOC/C=C/Cl	ZINC000852347564	DE	On-Demand	Anodyne	CACNA1I	50	35
C[C@@H](ONC(=O)NC[C@H](OC1CCCC1)C(F)(F)F)c1ccccc1	ZINC000852347623	FH	On-Demand	Anodyne	AMY2	44	30
C[C@@H](ONC(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccccc1	ZINC000852347624	FH	On-Demand	Anodyne	AMY2	44	30
C[C@@H](ONC(=O)NCc1cnc(C(F)(F)F)nc1)c1ccccc1	ZINC000852347641	EF	On-Demand	Anodyne	PDS	76	38
C[C@@H](ONC(=O)N(C)Cc1cnc[nH]1)c1ccccc1	ZINC000852347656	CE	On-Demand	Anodyne	CYP3A4	18	44
C[C@@H](ONC(=O)N(C)Cc1cnc[nH]1)c1ccccc1	ZINC000852347656	CE	On-Demand	Anodyne	TAAR1	26	46
C[C@@H](ONC(=O)NCC1(C#N)CCCCC1)c1ccccc1	ZINC000852347687	DG	On-Demand	Mild	CTSK	19	41
O=C(NC[C@H]1CCN(c2ccccc2F)C1)NNc1ccc(Cl)cn1	ZINC000852347752	FG	On-Demand	Reactive	F10	26	41
O=C(NC[C@@H]1CCN(c2ccccc2F)C1)NNc1ccc(Cl)cn1	ZINC000852347753	FG	On-Demand	Reactive	F10	26	41
COc1ccc(N2CC[C@H](NC(=O)NCCS(=O)(=O)N(C)C)C2)cc1	ZINC000852347811	FC	On-Demand	Clean	MTNR1A	17	45
C[C@@H](ONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)c1ccccc1	ZINC000852347822	FI	On-Demand	Anodyne	CACNA1I	50	34
C[C@@H](ONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)c1ccccc1	ZINC000852347824	FI	On-Demand	Anodyne	CACNA1I	50	34
O=C(NOC/C=C\Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852347859	EG	On-Demand	Anodyne	KCNH2	44	44
O=C(NOC/C=C/Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852347860	EG	On-Demand	Anodyne	KCNH2	44	44
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852347861	GG	On-Demand	Anodyne	C3AR1	48	32
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852347861	GG	On-Demand	Anodyne	TACR3	41	38
CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852347862	GG	On-Demand	Anodyne	C3AR1	48	32
CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)NCc1ncccn1)c1ccccc1	ZINC000852347862	GG	On-Demand	Anodyne	TACR3	41	38
C[C@@H](ONC(=O)N1CCC([C@H]2CCCCO2)CC1)c1ccccc1	ZINC000852347870	EH	On-Demand	Anodyne	AMY2	44	31
C[C@@H](ONC(=O)N1CCC([C@@H]2CCCCO2)CC1)c1ccccc1	ZINC000852347872	EH	On-Demand	Anodyne	AMY2	44	31
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2F)C1	ZINC000852347890	EE	On-Demand	Anodyne	ACKR3	61	33
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2F)C1	ZINC000852347891	EE	On-Demand	Anodyne	ACKR3	61	33
O=C(NCCCCF)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852347940	DG	On-Demand	Anodyne	ADRB1	15	49
O=C(NCCCCF)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852347941	DG	On-Demand	Anodyne	ADRB1	15	49
CNC(=O)CC1(CNC(=O)NO[C@@H](C)c2ccccc2)CCCCC1	ZINC000852347947	EG	On-Demand	Anodyne	CTSK	15	40
CNC(=O)CC1(CNC(=O)NO[C@H](C)c2ccccc2)CCCCC1	ZINC000852347948	EG	On-Demand	Anodyne	CTSK	15	40
C[C@@H](ONC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852347994	EG	On-Demand	Anodyne	KCNQ2	58	38
C[C@@H](ONC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852347994	EG	On-Demand	Anodyne	KCNA5	19	45
C[C@@H](ONC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852347994	EG	On-Demand	Anodyne	SCN2A	18	43
C[C@@H](ONC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852347994	EG	On-Demand	Anodyne	CAPN2	42	34
C[C@@H](ONC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852347994	EG	On-Demand	Anodyne	SCN10A	33	43
CO[C@@](C)(CNC(=O)NO[C@H](C)c1ccccc1)COCc1ccccc1	ZINC000852348001	FH	On-Demand	Anodyne	CAPNS1	47	31
CO[C@@](C)(CNC(=O)NO[C@H](C)c1ccccc1)COCc1ccccc1	ZINC000852348001	FH	On-Demand	Anodyne	CAPN1	51	36
CO[C@@](C)(CNC(=O)NO[C@H](C)c1ccccc1)COCc1ccccc1	ZINC000852348001	FH	On-Demand	Anodyne	CAPN2	74	33
CO[C@@](C)(CNC(=O)NO[C@H](C)c1ccccc1)COCc1ccccc1	ZINC000852348001	FH	On-Demand	Anodyne	NPR	64	36
CO[C@@](C)(CNC(=O)NO[C@@H](C)c1ccccc1)COCc1ccccc1	ZINC000852348002	FH	On-Demand	Anodyne	CAPNS1	47	31
CO[C@@](C)(CNC(=O)NO[C@@H](C)c1ccccc1)COCc1ccccc1	ZINC000852348002	FH	On-Demand	Anodyne	CAPN1	51	36
CO[C@@](C)(CNC(=O)NO[C@@H](C)c1ccccc1)COCc1ccccc1	ZINC000852348002	FH	On-Demand	Anodyne	CAPN2	74	33
CO[C@@](C)(CNC(=O)NO[C@@H](C)c1ccccc1)COCc1ccccc1	ZINC000852348002	FH	On-Demand	Anodyne	NPR	64	36
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCCCC2=O)cc1	ZINC000852348011	GF	On-Demand	Anodyne	MAPK1	52	39
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1	ZINC000852348041	GI	On-Demand	Anodyne	TRY1_BOVIN	15	44
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1	ZINC000852348042	GI	On-Demand	Anodyne	TRY1_BOVIN	15	44
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1	ZINC000852348043	GI	On-Demand	Anodyne	TRY1_BOVIN	15	44
CC(C)(C)OC(=O)NCCC[C@H](NC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1	ZINC000852348044	GI	On-Demand	Anodyne	TRY1_BOVIN	15	44
C[C@@H](ONC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccccc1	ZINC000852348058	FF	On-Demand	Anodyne	HTR4	47	41
C[C@@H](ONC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccccc1	ZINC000852348058	FF	On-Demand	Anodyne	GRIN2B	21	43
C[C@@H](ONC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccccc1	ZINC000852348058	FF	On-Demand	Anodyne	CACNA1I	45	33
C[C@@H](ONC(=O)NCc1cccc(COC[C@H]2CCCO2)c1)c1ccccc1	ZINC000852348068	GH	On-Demand	Anodyne	CAPN2	16	40
C[C@@H](ONC(=O)NCc1cccc(COC[C@H]2CCCO2)c1)c1ccccc1	ZINC000852348068	GH	On-Demand	Anodyne	PDS	41	35
C[C@@H](ONC(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccccc1	ZINC000852348070	GH	On-Demand	Anodyne	CAPN2	16	40
C[C@@H](ONC(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)c1ccccc1	ZINC000852348070	GH	On-Demand	Anodyne	PDS	41	35
CC(=O)CCN1CCc2ccccc2C(C)(C)C1	ZINC000852348106	BF	On-Demand	Anodyne	HTR7	15	41
C[C@@H](ONC(=O)N1CCC(N2CCOC2=O)CC1)c1ccccc1	ZINC000852348120	EE	On-Demand	Anodyne	BIRC8	56	36
C[C@@H](ONC(=O)N1CCC[C@@H](CCF)C1)c1ccccc1	ZINC000852348158	CG	On-Demand	Anodyne	REN	17	42
C[C@@H](ONC(=O)N1CCC[C@H](CCF)C1)c1ccccc1	ZINC000852348160	CG	On-Demand	Anodyne	REN	17	42
O=C(NCc1cccnc1N1CCCC1)NOC/C=C/Cl	ZINC000852348165	DE	On-Demand	Anodyne	SCN2A	20	48
O=C(NCc1cccnc1N1CCCC1)NOC/C=C/Cl	ZINC000852348165	DE	On-Demand	Anodyne	SCN10A	30	50
O=C(NCc1cccnc1N1CCCC1)NOC/C=C\Cl	ZINC000852348166	DE	On-Demand	Anodyne	SCN2A	20	48
O=C(NCc1cccnc1N1CCCC1)NOC/C=C\Cl	ZINC000852348166	DE	On-Demand	Anodyne	SCN10A	30	50
COc1ccc(N2CC[C@H](NC(=O)NO[C@@H](C)c3ccccc3)C2)cc1	ZINC000852348243	FG	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NO[C@H](C)c3ccccc3)C2)cc1	ZINC000852348244	FG	On-Demand	Clean	MTNR1B	15	45
C[C@@H](ONC(=O)NCCCOC(C)(C)C)c1ccccc1	ZINC000852348246	CG	On-Demand	Anodyne	AMY2	42	29
C[C@@H](ONC(=O)NCCc1cn(C)c2ccccc12)c1ccccc1	ZINC000852348268	EH	On-Demand	Anodyne	MTNR1A	16	44
C[C@@H](ONC(=O)NCCCc1ccco1)c1ccccc1	ZINC000852348269	CG	On-Demand	Anodyne	SOAT1	16	40
CO[C@@](C)(CNC(=O)NNc1ccc(Cl)cn1)C1CC1	ZINC000852348297	CE	On-Demand	Reactive	F10	48	31
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	ACHE	16	41
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	HRH1	18	40
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	SLC6A3	26	42
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	HTR4	65	41
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	GRIN2B	36	44
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	SIGMAR1	26	43
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	CCR3	36	40
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	CCR5	41	35
C[C@@H](ONC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852348334	EG	On-Demand	Anodyne	CACNA1I	65	37
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC/C=C\Cl	ZINC000852348442	EE	On-Demand	Anodyne	ACHE	25	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC/C=C\Cl	ZINC000852348442	EE	On-Demand	Anodyne	SIGMAR1	24	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC/C=C\Cl	ZINC000852348442	EE	On-Demand	Anodyne	CACNA1I	61	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC/C=C/Cl	ZINC000852348443	EE	On-Demand	Anodyne	ACHE	25	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC/C=C/Cl	ZINC000852348443	EE	On-Demand	Anodyne	SIGMAR1	24	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC/C=C/Cl	ZINC000852348443	EE	On-Demand	Anodyne	CACNA1I	61	41
C[C@@H](ONC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852348531	EF	On-Demand	Anodyne	AMY2	44	31
C=Cc1ccc(CCNC(=O)N2CCC(NC(=O)OC)CC2)cc1	ZINC000852348542	EE	On-Demand	Anodyne	TGM2	28	43
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	DRD2	17	45
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	DRD4	41	45
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	ACHE	49	50
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	SLC6A3	21	48
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	HTR4	60	49
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	GRIN2B	32	44
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	LTA4H	20	41
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	SIGMAR1	41	42
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	SSTR5	41	34
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	CCR3	45	41
C[C@@H](ONC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852348649	FG	On-Demand	Anodyne	CACNA1I	66	41
C[C@@H](ONC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852348670	EG	On-Demand	Anodyne	CHRM1	16	45
C[C@@H](ONC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852348670	EG	On-Demand	Anodyne	SLC6A5	17	43
C[C@@H](ONC(=O)N[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852348670	EG	On-Demand	Anodyne	BIRC2	40	41
C[C@@H](ONC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852348672	EG	On-Demand	Anodyne	CHRM1	16	45
C[C@@H](ONC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852348672	EG	On-Demand	Anodyne	SLC6A5	17	43
C[C@@H](ONC(=O)N[C@H]1CCN(C2CCCCC2)C1)c1ccccc1	ZINC000852348672	EG	On-Demand	Anodyne	BIRC2	40	41
COc1ccc(N2CC[C@H](NC(=O)NCCCCF)C2)cc1	ZINC000852348720	DE	On-Demand	Clean	MTNR1A	21	48
COc1ccc(N2CC[C@H](NC(=O)NCCCCF)C2)cc1	ZINC000852348720	DE	On-Demand	Clean	MTNR1B	19	48
C[C@@H](ONC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1	ZINC000852348838	CG	On-Demand	Mild	DPP4	19	40
C[C@@H](ONC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1	ZINC000852348840	CG	On-Demand	Mild	DPP4	19	40
C[C@@H](ONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1	ZINC000852349084	EF	On-Demand	Anodyne	PYGL	35	48
C[C@@H](ONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1	ZINC000852349084	EF	On-Demand	Anodyne	PYGM	31	48
C[C@@H](ONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccccc1	ZINC000852349084	EF	On-Demand	Anodyne	TPP2	44	30
C[C@@H](ONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1	ZINC000852349085	EF	On-Demand	Anodyne	PYGL	35	48
C[C@@H](ONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1	ZINC000852349085	EF	On-Demand	Anodyne	PYGM	31	48
C[C@@H](ONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)c1ccccc1	ZINC000852349085	EF	On-Demand	Anodyne	TPP2	44	30
C[C@@H](ONC(=O)N[C@@H]1CCc2ccccc21)c1ccccc1	ZINC000852349233	CH	On-Demand	Anodyne	XIAP	27	40
CN(C)S(=O)(=O)CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852349239	GD	On-Demand	Anodyne	ADRB3	15	42
CN(C)S(=O)(=O)CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852349240	GD	On-Demand	Anodyne	ADRB3	15	42
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCCNC2=O)cc1	ZINC000852349405	GE	On-Demand	Anodyne	MAPK1	51	41
C[C@@H](ONC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000852349537	EC	On-Demand	Reactive	BIRC3	40	34
C[C@@H](ONC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1	ZINC000852349537	EC	On-Demand	Reactive	BIRC8	44	32
COc1cccc([C@]2(C)CCN(C(=O)NOC/C=C/Cl)C2)c1	ZINC000852349541	DG	On-Demand	Anodyne	DRD4	40	30
COc1cccc([C@]2(C)CCN(C(=O)NOC/C=C\Cl)C2)c1	ZINC000852349542	DG	On-Demand	Anodyne	DRD4	40	30
O=C(NOC/C=C/Cl)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852349625	EH	On-Demand	Anodyne	P2RY14	40	34
O=C(NOC/C=C\Cl)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852349626	EH	On-Demand	Anodyne	P2RY14	40	34
C[C@@H](ONC(=O)NCCCC1CCC1)c1ccccc1	ZINC000852349651	CH	On-Demand	Anodyne	AMY2	46	32
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccc(F)cc1	ZINC000852349684	EG	On-Demand	Mild	MAPK1	42	35
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccc(F)cc1	ZINC000852349684	EG	On-Demand	Mild	HDAC6	23	42
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccc(F)cc1	ZINC000852349685	EG	On-Demand	Mild	MAPK1	42	35
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccc(F)cc1	ZINC000852349685	EG	On-Demand	Mild	HDAC6	23	42
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1	ZINC000852349713	EF	On-Demand	Mild	SLC6A3	25	40
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1	ZINC000852349713	EF	On-Demand	Mild	SIGMAR1	15	47
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1	ZINC000852349713	EF	On-Demand	Mild	CCR3	44	37
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1	ZINC000852349713	EF	On-Demand	Mild	CACNA1I	54	39
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1	ZINC000852349714	EF	On-Demand	Mild	SLC6A3	25	40
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1	ZINC000852349714	EF	On-Demand	Mild	SIGMAR1	15	47
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1	ZINC000852349714	EF	On-Demand	Mild	CCR3	44	37
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(F)cc1	ZINC000852349714	EF	On-Demand	Mild	CACNA1I	54	39
C[C@@H](ONC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1)c1ccccc1	ZINC000852349799	GF	On-Demand	Anodyne	SLC6A3	28	42
C[C@@H](ONC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1)c1ccccc1	ZINC000852349801	GF	On-Demand	Anodyne	SLC6A3	28	42
COC(=O)c1ccc(CNC(=O)NOCCOC(C)C)c(F)c1	ZINC000852349902	ED	On-Demand	Anodyne	BDKRB1	25	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4cnn(C)c4c3)C2)cc1	ZINC000852349937	GF	On-Demand	Clean	MCHR1	23	46
C#C[C@@H](NC(=O)NCCc1ccc(C=C)cc1)C1CCOCC1	ZINC000852350374	DF	On-Demand	Mild	MMP2	45	31
C#C[C@H](NC(=O)NCCc1ccc(C=C)cc1)C1CCOCC1	ZINC000852350377	DF	On-Demand	Mild	MMP2	45	31
C=C[C@H](CO)NC(=O)NO[C@@H](C)c1ccccc1	ZINC000852350381	CD	On-Demand	Mild	KLK3	40	31
C=C[C@H](CO)NC(=O)NO[C@H](C)c1ccccc1	ZINC000852350384	CD	On-Demand	Mild	KLK3	40	31
C[C@@H](ONC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1	ZINC000852350411	FG	On-Demand	Clean	SLC12A5	46	33
C[C@@H](ONC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1	ZINC000852350411	FG	On-Demand	Clean	PDS	45	35
C[C@@H](ONC(=O)NCc1c(C2CC2)cnn1C)c1ccccc1	ZINC000852350439	DF	On-Demand	Anodyne	LPAR1	40	40
O=C(NCCCCF)NCC1SCCS1	ZINC000852350535	CD	On-Demand	Anodyne	EPHX2	15	41
COC(=O)N(C)CCNC(=O)NCCc1ccc(Cl)c(C)c1	ZINC000852350584	EE	On-Demand	Anodyne	RAF1	19	40
C[C@@H](ONC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852350588	EE	On-Demand	Anodyne	CCR5	49	40
C[C@@H](ONC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852350590	EE	On-Demand	Anodyne	CCR5	49	40
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCCCCF)C2)CC1	ZINC000852350609	GH	On-Demand	Anodyne	GPR119	30	42
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCCCCF)C2)CC1	ZINC000852350612	GH	On-Demand	Anodyne	GPR119	30	42
C[C@@H](ONC(=O)NCCN1C[C@H]2CCCCN2C1=O)c1ccccc1	ZINC000852350618	EE	On-Demand	Anodyne	BIRC8	43	30
C[C@@H](ONC(=O)NCCN1C[C@@H]2CCCCN2C1=O)c1ccccc1	ZINC000852350622	EE	On-Demand	Anodyne	BIRC8	43	30
COc1ccc(N2CC[C@H](NC(=O)NCC3CC(F)(F)C3)C2)cc1	ZINC000852350637	EF	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCC3CC(F)(F)C3)C2)cc1	ZINC000852350637	EF	On-Demand	Clean	MTNR1B	18	45
COc1ccc(N2CC[C@H](NC(=O)NCC3CC(F)(F)C3)C2)cc1	ZINC000852350637	EF	On-Demand	Clean	EPHX2	20	41
C[C@@H](ONC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852350638	EG	On-Demand	Anodyne	DRD2	18	45
C[C@@H](ONC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852350638	EG	On-Demand	Anodyne	SLC6A3	25	47
C[C@@H](ONC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852350638	EG	On-Demand	Anodyne	SIGMAR1	28	43
C[C@@H](ONC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852350645	EG	On-Demand	Anodyne	DRD2	18	45
C[C@@H](ONC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852350645	EG	On-Demand	Anodyne	SLC6A3	25	47
C[C@@H](ONC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852350645	EG	On-Demand	Anodyne	SIGMAR1	28	43
CCOC(=O)N1CCC(NC(=O)CN2CCc3ccccc3C(C)(C)C2)CC1	ZINC000852350661	GF	On-Demand	Anodyne	CCR8	49	44
C[C@@H](ONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccccc1	ZINC000852350709	GH	On-Demand	Anodyne	AMY2	45	31
C[C@@H](ONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1ccccc1	ZINC000852350709	GH	On-Demand	Anodyne	SSTR3	30	44
C[C@@H](ONC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852350727	EG	On-Demand	Anodyne	F2	25	42
C[C@@H](ONC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852350727	EG	On-Demand	Anodyne	SLC6A1	45	36
C[C@@H](ONC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852350727	EG	On-Demand	Anodyne	CHRM4	20	47
C[C@@H](ONC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852350727	EG	On-Demand	Anodyne	CCR3	63	37
C[C@@H](ONC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852350731	EG	On-Demand	Anodyne	F2	25	42
C[C@@H](ONC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852350731	EG	On-Demand	Anodyne	SLC6A1	45	36
C[C@@H](ONC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852350731	EG	On-Demand	Anodyne	CHRM4	20	47
C[C@@H](ONC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852350731	EG	On-Demand	Anodyne	CCR3	63	37
CCOc1ccc(-n2c(C)cc(C(=O)Cn3cnc4ncccc4c3=O)c2C)cc1	ZINC000852350847	HG	On-Demand	Clean	CACNA2D1	65	36
C#C[C@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccc(F)cc1	ZINC000852350923	DE	On-Demand	Mild	CCR3	42	40
C#C[C@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccc(F)cc1	ZINC000852350924	DE	On-Demand	Mild	CCR3	42	40
C#C[C@@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccc(F)cc1	ZINC000852350925	DE	On-Demand	Mild	CCR3	42	40
C#C[C@@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccc(F)cc1	ZINC000852350926	DE	On-Demand	Mild	CCR3	42	40
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(F)cc1	ZINC000852350966	FF	On-Demand	Mild	SCN2A	17	42
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(F)cc1	ZINC000852350966	FF	On-Demand	Mild	SCN10A	19	42
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(F)cc1	ZINC000852350967	FF	On-Demand	Mild	SCN2A	17	42
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccc(F)cc1	ZINC000852350967	FF	On-Demand	Mild	SCN10A	19	42
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852351060	GI	On-Demand	Mild	CHRM1	17	47
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852351060	GI	On-Demand	Mild	SLC6A3	24	47
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852351061	GI	On-Demand	Mild	CHRM1	17	47
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852351061	GI	On-Demand	Mild	SLC6A3	24	47
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCCCCF)C2	ZINC000852351130	EE	On-Demand	Anodyne	EPHX2	16	41
C#C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1	ZINC000852351210	EF	On-Demand	Mild	CHRM4	17	40
C#C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1	ZINC000852351210	EF	On-Demand	Mild	CCR3	102	40
C#C[C@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1	ZINC000852351211	EF	On-Demand	Mild	CHRM4	17	40
C#C[C@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1	ZINC000852351211	EF	On-Demand	Mild	CCR3	102	40
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1	ZINC000852351212	EF	On-Demand	Mild	CHRM4	17	40
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1	ZINC000852351212	EF	On-Demand	Mild	CCR3	102	40
C#C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1	ZINC000852351213	EF	On-Demand	Mild	CHRM4	17	40
C#C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(F)cc1	ZINC000852351213	EF	On-Demand	Mild	CCR3	102	40
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351319	GG	On-Demand	Mild	ACHE	18	41
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351319	GG	On-Demand	Mild	SLC6A3	21	45
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351319	GG	On-Demand	Mild	SIGMAR1	24	51
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351319	GG	On-Demand	Mild	CCR3	57	45
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351319	GG	On-Demand	Mild	MCHR1	25	40
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351319	GG	On-Demand	Mild	CACNA1G	36	40
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351319	GG	On-Demand	Mild	CACNA1I	51	37
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351320	GG	On-Demand	Mild	ACHE	18	41
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351320	GG	On-Demand	Mild	SLC6A3	21	45
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351320	GG	On-Demand	Mild	SIGMAR1	24	51
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351320	GG	On-Demand	Mild	CCR3	57	45
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351320	GG	On-Demand	Mild	MCHR1	25	40
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351320	GG	On-Demand	Mild	CACNA1G	36	40
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1	ZINC000852351320	GG	On-Demand	Mild	CACNA1I	51	37
O=C(NCCCCF)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852351542	GF	On-Demand	Anodyne	SMO	15	44
C#C[C@H](NC(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(F)cc1	ZINC000852351791	FF	On-Demand	Mild	CCR3	58	35
C#C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1)c1ccc(F)cc1	ZINC000852351792	FF	On-Demand	Mild	CCR3	58	35
C#C[C@H](NC(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(F)cc1	ZINC000852351793	FF	On-Demand	Mild	CCR3	58	35
C#C[C@H](NC(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1ccc(F)cc1	ZINC000852351794	FF	On-Demand	Mild	CCR3	58	35
O=C(NCCCCF)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852351920	DE	On-Demand	Clean	CCR3	16	46
C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1CCC[C@@H](CCF)C1	ZINC000852352025	FH	On-Demand	Anodyne	SSTR2	46	36
C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1CCC[C@H](CCF)C1	ZINC000852352027	FH	On-Demand	Anodyne	SSTR2	46	36
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)NCC1(C#N)CCCCC1	ZINC000852352146	GG	On-Demand	Mild	DPP4	15	43
CC[C@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352154	EF	On-Demand	Anodyne	ACHE	26	44
CC[C@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352154	EF	On-Demand	Anodyne	HTR4	48	43
CC[C@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352154	EF	On-Demand	Anodyne	SIGMAR1	21	40
CC[C@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352154	EF	On-Demand	Anodyne	SSTR5	49	33
CC[C@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352154	EF	On-Demand	Anodyne	CCR3	18	40
CC[C@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352154	EF	On-Demand	Anodyne	CACNA1I	67	42
CC[C@@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352155	EF	On-Demand	Anodyne	ACHE	26	44
CC[C@@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352155	EF	On-Demand	Anodyne	HTR4	48	43
CC[C@@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352155	EF	On-Demand	Anodyne	SIGMAR1	21	40
CC[C@@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352155	EF	On-Demand	Anodyne	SSTR5	49	33
CC[C@@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352155	EF	On-Demand	Anodyne	CCR3	18	40
CC[C@@H](C)CONC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852352155	EF	On-Demand	Anodyne	CACNA1I	67	42
CC[C@@H](C)CONC(=O)NCCc1cn(C)c2ccccc12	ZINC000852352182	DF	On-Demand	Anodyne	MTNR1A	23	45
CC[C@H](C)CONC(=O)NCCc1cn(C)c2ccccc12	ZINC000852352186	DF	On-Demand	Anodyne	MTNR1A	23	45
CC[C@@H](C)CONC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852352269	EG	On-Demand	Anodyne	ADRB2	23	41
CC[C@@H](C)CONC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852352269	EG	On-Demand	Anodyne	CAPN2	25	40
CC[C@@H](C)CONC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852352271	EG	On-Demand	Anodyne	ADRB2	23	41
CC[C@@H](C)CONC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852352271	EG	On-Demand	Anodyne	CAPN2	25	40
CC[C@H](C)CONC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852352273	EG	On-Demand	Anodyne	ADRB2	23	41
CC[C@H](C)CONC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852352273	EG	On-Demand	Anodyne	CAPN2	25	40
CC[C@H](C)CONC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852352275	EG	On-Demand	Anodyne	ADRB2	23	41
CC[C@H](C)CONC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852352275	EG	On-Demand	Anodyne	CAPN2	25	40
CC[C@H](C)CONC(=O)NC[C@H](O)[C@H](C)c1ccccc1	ZINC000852352285	CE	On-Demand	Anodyne	CAPN2	44	36
CC[C@H](C)CONC(=O)NC[C@@H](O)[C@H](C)c1ccccc1	ZINC000852352286	CE	On-Demand	Anodyne	CAPN2	44	36
CC[C@H](C)CONC(=O)NC[C@@H](O)[C@@H](C)c1ccccc1	ZINC000852352287	CE	On-Demand	Anodyne	CAPN2	44	36
CC[C@H](C)CONC(=O)NC[C@H](O)[C@@H](C)c1ccccc1	ZINC000852352288	CE	On-Demand	Anodyne	CAPN2	44	36
CC[C@H](C)CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852352379	EG	On-Demand	Anodyne	CACNA1I	46	36
CC[C@@H](C)CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852352380	EG	On-Demand	Anodyne	CACNA1I	46	36
CC[C@H](C)CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852352381	EG	On-Demand	Anodyne	CACNA1I	46	36
CC[C@@H](C)CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852352382	EG	On-Demand	Anodyne	CACNA1I	46	36
CC[C@@H](C)CONC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852352452	FH	On-Demand	Anodyne	PDS	66	35
CC[C@H](C)CONC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852352453	FH	On-Demand	Anodyne	PDS	66	35
C[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)N1CCc2nccnc2C1	ZINC000852352466	GF	On-Demand	Anodyne	MAPK1	40	36
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)C1	ZINC000852352499	FI	On-Demand	Mild	REN	33	40
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)C1	ZINC000852352499	FI	On-Demand	Mild	TGM2	20	42
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)C1	ZINC000852352500	FI	On-Demand	Mild	REN	33	40
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)C1	ZINC000852352500	FI	On-Demand	Mild	TGM2	20	42
C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)C1	ZINC000852352501	FI	On-Demand	Mild	REN	33	40
C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)C1	ZINC000852352501	FI	On-Demand	Mild	TGM2	20	42
C=CC[C@H]1CCCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)C1	ZINC000852352502	FI	On-Demand	Mild	REN	33	40
C=CC[C@H]1CCCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)C1	ZINC000852352502	FI	On-Demand	Mild	TGM2	20	42
CC[C@@H](C)CONC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852352546	DE	On-Demand	Anodyne	PDS	56	39
CC[C@H](C)CONC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852352547	DE	On-Demand	Anodyne	PDS	56	39
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1ccc(C2CC2)cc1F	ZINC000852352553	GE	On-Demand	Anodyne	TRPV1	87	37
COC(=O)c1nc(CNC(=O)NCc2ccc(C3CC3)cc2F)ccc1Cl	ZINC000852352600	GH	On-Demand	Anodyne	P2RX7	57	36
CC[C@H](C)CONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852352637	DF	On-Demand	Clean	MTNR1A	15	48
CC[C@@H](C)CONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852352638	DF	On-Demand	Clean	MTNR1A	15	48
CC[C@H](C)CONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852352639	DF	On-Demand	Clean	MTNR1A	15	48
CC[C@@H](C)CONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852352640	DF	On-Demand	Clean	MTNR1A	15	48
O=C(NCc1ccc(C2CC2)cc1F)NNc1ccc(Cl)cn1	ZINC000852352710	EH	On-Demand	Reactive	P2RX7	52	36
CC[C@@H](C)CONC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852352759	DE	On-Demand	Anodyne	PDS	59	35
CC[C@H](C)CONC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852352760	DE	On-Demand	Anodyne	PDS	59	35
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852352858	GF	On-Demand	Mild	DPP4	21	45
CC[C@H](C)CONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852352873	DD	On-Demand	Anodyne	PYGL	34	47
CC[C@H](C)CONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852352873	DD	On-Demand	Anodyne	PYGM	30	47
CC[C@H](C)CONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852352873	DD	On-Demand	Anodyne	TPP2	59	36
CC[C@@H](C)CONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852352874	DD	On-Demand	Anodyne	PYGL	34	47
CC[C@@H](C)CONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852352874	DD	On-Demand	Anodyne	PYGM	30	47
CC[C@@H](C)CONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852352874	DD	On-Demand	Anodyne	TPP2	59	36
CC[C@H](C)CONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852352875	DD	On-Demand	Anodyne	PYGL	34	47
CC[C@H](C)CONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852352875	DD	On-Demand	Anodyne	PYGM	30	47
CC[C@H](C)CONC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852352875	DD	On-Demand	Anodyne	TPP2	59	36
CC[C@@H](C)CONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852352876	DD	On-Demand	Anodyne	PYGL	34	47
CC[C@@H](C)CONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852352876	DD	On-Demand	Anodyne	PYGM	30	47
CC[C@@H](C)CONC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852352876	DD	On-Demand	Anodyne	TPP2	59	36
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2ccc(C3CC3)cc2F)O1	ZINC000852352923	FD	On-Demand	Reactive	P2RX7	40	38
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2ccc(C3CC3)cc2F)O1	ZINC000852352924	FD	On-Demand	Reactive	P2RX7	40	38
CC[C@@H](C)CONC(=O)NCCc1ccnc2ccccc12	ZINC000852352947	DG	On-Demand	Anodyne	MTNR1A	49	46
CC[C@@H](C)CONC(=O)NCCc1ccnc2ccccc12	ZINC000852352947	DG	On-Demand	Anodyne	MTNR1B	32	46
CC[C@H](C)CONC(=O)NCCc1ccnc2ccccc12	ZINC000852352948	DG	On-Demand	Anodyne	MTNR1A	49	46
CC[C@H](C)CONC(=O)NCCc1ccnc2ccccc12	ZINC000852352948	DG	On-Demand	Anodyne	MTNR1B	32	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4F)C3)C2)cc1	ZINC000852353090	GF	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4F)C3)C2)cc1	ZINC000852353095	GF	On-Demand	Clean	MTNR1B	15	48
CC[C@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353117	EH	On-Demand	Anodyne	CHRM1	16	43
CC[C@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353117	EH	On-Demand	Anodyne	SLC6A3	15	48
CC[C@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353117	EH	On-Demand	Anodyne	KCNH2	44	42
CC[C@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353117	EH	On-Demand	Anodyne	CHRM3	16	43
CC[C@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353117	EH	On-Demand	Anodyne	GLRA1	43	33
CC[C@@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353119	EH	On-Demand	Anodyne	CHRM1	16	43
CC[C@@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353119	EH	On-Demand	Anodyne	SLC6A3	15	48
CC[C@@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353119	EH	On-Demand	Anodyne	KCNH2	44	42
CC[C@@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353119	EH	On-Demand	Anodyne	CHRM3	16	43
CC[C@@H](C)CONC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852353119	EH	On-Demand	Anodyne	GLRA1	43	33
Cn1c(=O)c(CNC(=O)N2CCC(N3CCOC3=O)CC2)cc2ccccc21	ZINC000852353126	GD	On-Demand	Anodyne	NPSR1	47	39
C#C[C@H](NC(=O)NCc1cc2ccccc2n(C)c1=O)C1CCOCC1	ZINC000852353181	FD	On-Demand	Mild	NPSR1	34	46
C#C[C@@H](NC(=O)NCc1cc2ccccc2n(C)c1=O)C1CCOCC1	ZINC000852353182	FD	On-Demand	Mild	NPSR1	34	46
CC[C@@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852353189	ED	On-Demand	Anodyne	CPT1A	80	37
CC[C@@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852353189	ED	On-Demand	Anodyne	CPT2	40	34
CC[C@@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852353189	ED	On-Demand	Anodyne	LIPA	85	48
CC[C@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852353190	ED	On-Demand	Anodyne	CPT1A	80	37
CC[C@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852353190	ED	On-Demand	Anodyne	CPT2	40	34
CC[C@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852353190	ED	On-Demand	Anodyne	LIPA	85	48
CC[C@@H](C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852353204	DF	On-Demand	Anodyne	DRD2	22	42
CC[C@@H](C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852353204	DF	On-Demand	Anodyne	SIGMAR1	23	42
CC[C@@H](C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852353204	DF	On-Demand	Anodyne	CAPN2	43	35
CC[C@@H](C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852353204	DF	On-Demand	Anodyne	PDS	42	33
CC[C@H](C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852353205	DF	On-Demand	Anodyne	DRD2	22	42
CC[C@H](C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852353205	DF	On-Demand	Anodyne	SIGMAR1	23	42
CC[C@H](C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852353205	DF	On-Demand	Anodyne	CAPN2	43	35
CC[C@H](C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852353205	DF	On-Demand	Anodyne	PDS	42	33
CC[C@H](C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852353206	DF	On-Demand	Anodyne	DRD2	22	42
CC[C@H](C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852353206	DF	On-Demand	Anodyne	SIGMAR1	23	42
CC[C@H](C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852353206	DF	On-Demand	Anodyne	CAPN2	43	35
CC[C@H](C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852353206	DF	On-Demand	Anodyne	PDS	42	33
CC[C@@H](C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852353207	DF	On-Demand	Anodyne	DRD2	22	42
CC[C@@H](C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852353207	DF	On-Demand	Anodyne	SIGMAR1	23	42
CC[C@@H](C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852353207	DF	On-Demand	Anodyne	CAPN2	43	35
CC[C@@H](C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852353207	DF	On-Demand	Anodyne	PDS	42	33
CC[C@@H](C)CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852353221	DE	On-Demand	Anodyne	KCNQ2	44	32
CC[C@@H](C)CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852353221	DE	On-Demand	Anodyne	SCN2A	17	43
CC[C@@H](C)CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852353221	DE	On-Demand	Anodyne	SCN10A	22	45
CC[C@H](C)CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852353227	DE	On-Demand	Anodyne	KCNQ2	44	32
CC[C@H](C)CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852353227	DE	On-Demand	Anodyne	SCN2A	17	43
CC[C@H](C)CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852353227	DE	On-Demand	Anodyne	SCN10A	22	45
CC[C@H](C)CONC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852353333	DE	On-Demand	Anodyne	BDKRB1	21	40
CC[C@@H](C)CONC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852353334	DE	On-Demand	Anodyne	BDKRB1	21	40
CC[C@@H](C)CONC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852353341	DG	On-Demand	Anodyne	CAPN2	33	49
CC[C@@H](C)CONC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852353341	DG	On-Demand	Anodyne	PDS	66	37
CC[C@@H](C)CONC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852353342	DG	On-Demand	Anodyne	CAPN2	33	49
CC[C@@H](C)CONC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852353342	DG	On-Demand	Anodyne	PDS	66	37
CC[C@H](C)CONC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852353343	DG	On-Demand	Anodyne	CAPN2	33	49
CC[C@H](C)CONC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852353343	DG	On-Demand	Anodyne	PDS	66	37
CC[C@H](C)CONC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852353344	DG	On-Demand	Anodyne	CAPN2	33	49
CC[C@H](C)CONC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852353344	DG	On-Demand	Anodyne	PDS	66	37
Cn1c(=O)c(CNC(=O)N2CC[C@H](N3CCOC3=O)C2)cc2ccccc21	ZINC000852353369	FD	On-Demand	Anodyne	NPSR1	47	39
Cn1c(=O)c(CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc2ccccc21	ZINC000852353370	FD	On-Demand	Anodyne	NPSR1	47	39
O=C(NCc1ccc(-c2ccccc2)cc1F)N1CCC(N2CCOC2=O)CC1	ZINC000852353387	GH	On-Demand	Anodyne	EPHX2	15	41
CC[C@H](C)CONC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852353396	EG	On-Demand	Anodyne	GZMB	60	31
CC[C@@H](C)CONC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852353397	EG	On-Demand	Anodyne	GZMB	60	31
CC[C@@H](C)CONC(=O)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852353398	EG	On-Demand	Anodyne	GZMB	60	31
CC[C@H](C)CONC(=O)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852353399	EG	On-Demand	Anodyne	GZMB	60	31
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852353412	GF	On-Demand	Anodyne	PIK3CD	17	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852353412	GF	On-Demand	Anodyne	MTOR	45	36
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852353412	GF	On-Demand	Anodyne	LIPA	81	48
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852353412	GF	On-Demand	Anodyne	PIK3CB	24	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852353412	GF	On-Demand	Anodyne	MCHR1	16	49
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(Cl)c1	ZINC000852353412	GF	On-Demand	Anodyne	STAT6	48	34
Cn1c(=O)c(CNC(=O)N2CCC3=C(CCC(=O)N3)C2)cc2ccccc21	ZINC000852353428	FD	On-Demand	Anodyne	NPSR1	44	36
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(SC(F)F)cc1	ZINC000852353441	HF	On-Demand	Anodyne	MTOR	47	38
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(SC(F)F)cc1	ZINC000852353441	HF	On-Demand	Anodyne	LIPA	76	45
C[C@H]1C[C@@H](C)CN(C(=O)COc2nsnc2N2CCOCC2)C1	ZINC000852353459	ED	On-Demand	Anodyne	LIPA	89	53
C[C@@H]1C[C@@H](C)CN(C(=O)COc2nsnc2N2CCOCC2)C1	ZINC000852353460	ED	On-Demand	Anodyne	LIPA	89	53
CC[C@@H](C)CONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852353465	EG	On-Demand	Anodyne	AMY2	46	32
CC[C@@H](C)CONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852353465	EG	On-Demand	Anodyne	SSTR3	31	44
CC[C@H](C)CONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852353466	EG	On-Demand	Anodyne	AMY2	46	32
CC[C@H](C)CONC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852353466	EG	On-Demand	Anodyne	SSTR3	31	44
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(c2ccccc2F)C1	ZINC000852353467	EF	On-Demand	Reactive	F10	16	40
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(c2ccccc2F)C1	ZINC000852353468	EF	On-Demand	Reactive	F10	16	40
CCSc1cccc(CNC(=O)NCc2ncccn2)c1	ZINC000852353515	DF	On-Demand	Anodyne	PDS	46	34
CC(C)(C)OC(=O)N1CC[C@H](CCNC(C)(C)c2cccc(C#N)c2)C1	ZINC000852353526	FI	On-Demand	Mild	GPR119	35	43
CC(C)(C)OC(=O)N1CC[C@@H](CCNC(C)(C)c2cccc(C#N)c2)C1	ZINC000852353527	FI	On-Demand	Mild	GPR119	35	43
CCSc1cccc(CNC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852353530	GH	On-Demand	Anodyne	PDS	46	35
CCSc1cccc(CNC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1	ZINC000852353531	GH	On-Demand	Anodyne	PDS	46	35
O=C(NCc1ccc(-c2ccccc2)cc1F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852353538	GG	On-Demand	Anodyne	NPSR1	27	41
O=C(NCc1ccc(-c2ccccc2)cc1F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852353539	GG	On-Demand	Anodyne	NPSR1	27	41
CC[C@@H](C)CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852353559	CE	On-Demand	Anodyne	CACNA1I	54	38
C[C@@H](CCc1ccccc1)NC(=O)COc1nsnc1N1CCOCC1	ZINC000852353624	GD	On-Demand	Anodyne	LIPA	77	46
C[C@@H](CCc1ccccc1)NC(=O)COc1nsnc1N1CCOCC1	ZINC000852353624	GD	On-Demand	Anodyne	CTSS	15	40
C[C@H](CCc1ccccc1)NC(=O)COc1nsnc1N1CCOCC1	ZINC000852353625	GD	On-Demand	Anodyne	LIPA	77	46
C[C@H](CCc1ccccc1)NC(=O)COc1nsnc1N1CCOCC1	ZINC000852353625	GD	On-Demand	Anodyne	CTSS	15	40
CC[C@H](C)CONC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852353650	CE	On-Demand	Anodyne	CACNA1I	54	38
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000852353667	JD	On-Demand	Anodyne	LIPA	89	51
O=C(COc1nsnc1N1CCOCC1)NCc1ccccc1Cl	ZINC000852353676	FD	On-Demand	Anodyne	P2RX7	27	40
O=C(COc1nsnc1N1CCOCC1)NCc1ccccc1Cl	ZINC000852353676	FD	On-Demand	Anodyne	LIPA	85	48
O=C(COc1nsnc1N1CCOCC1)NCc1ccccc1Cl	ZINC000852353676	FD	On-Demand	Anodyne	SCN10A	25	42
O=C(COc1nsnc1N1CCOCC1)NCc1ccccc1Cl	ZINC000852353676	FD	On-Demand	Anodyne	STAT6	25	41
O=C(COc1nsnc1N1CCOCC1)N1CCCCCC1	ZINC000852353731	ED	On-Demand	Anodyne	LIPA	114	67
CC[C@@H](C)CONC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852353751	ED	On-Demand	Anodyne	PDS	48	34
CC[C@H](C)CONC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1	ZINC000852353752	ED	On-Demand	Anodyne	PDS	48	34
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Br)cc1F	ZINC000852353767	HE	On-Demand	Anodyne	PRKDC	72	34
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Br)cc1F	ZINC000852353767	HE	On-Demand	Anodyne	LIPA	76	45
CCC(CC)(CNC(=O)NNc1ccc(Cl)cn1)OC	ZINC000852353770	DF	On-Demand	Reactive	F10	47	31
O=C(COc1nsnc1N1CCOCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000852353778	JG	On-Demand	Anodyne	LIPA	80	47
Cc1cccc(C(=O)NNC(=O)CNC(C)(C)c2cccc(C#N)c2)c1	ZINC000852353781	FE	On-Demand	Reactive	KCNK3	54	40
Cc1cccc(C(=O)NNC(=O)CNC(C)(C)c2cccc(C#N)c2)c1	ZINC000852353781	FE	On-Demand	Reactive	KCNK9	43	38
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1	ZINC000852353820	FD	On-Demand	Anodyne	AKT2	20	41
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1	ZINC000852353820	FD	On-Demand	Anodyne	AKT3	15	41
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1	ZINC000852353820	FD	On-Demand	Anodyne	LIPA	82	49
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1	ZINC000852353820	FD	On-Demand	Anodyne	SCN10A	22	45
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1	ZINC000852353820	FD	On-Demand	Anodyne	AKT1	20	41
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1	ZINC000852353820	FD	On-Demand	Anodyne	DPOL_VZVD	40	39
COc1ccc(N2CCN(C(=O)CNC(C)(C)c3cccc(C#N)c3)CC2)cc1	ZINC000852353829	GF	On-Demand	Mild	DRD4	46	39
Cc1cc(C)cc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852353833	EE	On-Demand	Anodyne	LIPA	84	50
Cc1cc(C)cc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852353833	EE	On-Demand	Anodyne	PIK3CB	19	40
CC(C)(C)OC(=O)N1CC[C@@H](CNC(C)(C)c2cccc(C#N)c2)C1	ZINC000852353854	EH	On-Demand	Mild	CACNA1I	41	31
CC(C)(C)OC(=O)N1CC[C@@H](CNC(C)(C)c2cccc(C#N)c2)C1	ZINC000852353854	EH	On-Demand	Mild	GPR119	36	41
CC(C)(C)OC(=O)N1CC[C@H](CNC(C)(C)c2cccc(C#N)c2)C1	ZINC000852353856	EH	On-Demand	Mild	CACNA1I	41	31
CC(C)(C)OC(=O)N1CC[C@H](CNC(C)(C)c2cccc(C#N)c2)C1	ZINC000852353856	EH	On-Demand	Mild	GPR119	36	41
CC(C)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852353887	FF	On-Demand	Anodyne	MTOR	68	37
CC(C)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852353887	FF	On-Demand	Anodyne	LIPA	80	47
COCCN(CCF)C(=O)NC[C@@H](c1ccccc1)C1CC1	ZINC000852353888	DF	On-Demand	Anodyne	AMY2	44	30
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852353889	IF	On-Demand	Anodyne	PDGFRB	20	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852353889	IF	On-Demand	Anodyne	LTA4H	30	49
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852353889	IF	On-Demand	Anodyne	MTOR	62	37
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852353889	IF	On-Demand	Anodyne	LIPA	76	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852353889	IF	On-Demand	Anodyne	EPHX2	15	49
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852353889	IF	On-Demand	Anodyne	MCHR1	18	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852353889	IF	On-Demand	Anodyne	STAT6	47	38
COCCN(CCF)C(=O)NC[C@H](c1ccccc1)C1CC1	ZINC000852353890	DF	On-Demand	Anodyne	AMY2	44	30
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	MAPK14	16	41
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	PIK3CA	47	37
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	PIK3CD	22	42
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	MTOR	59	37
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	LIPA	80	47
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	PIK3CB	25	42
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	MCHR1	17	45
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	EPHB4	42	31
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1C	ZINC000852353913	EE	On-Demand	Anodyne	STAT6	47	33
COCC(C)(C)CNC(=O)NNc1ccc(Cl)cn1	ZINC000852353931	CE	On-Demand	Reactive	F10	47	31
CC(C)(C)OC(=O)N1CCC([C@@H](O)CNC(C)(C)c2cccc(C#N)c2)CC1	ZINC000852353957	GG	On-Demand	Mild	GPR119	40	46
CC(C)(C)OC(=O)N1CCC([C@H](O)CNC(C)(C)c2cccc(C#N)c2)CC1	ZINC000852353958	GG	On-Demand	Mild	GPR119	40	46
CC[C@H](C)CONC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852354062	CD	On-Demand	Anodyne	EPHX2	16	40
CC[C@@H](C)CONC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852354063	CD	On-Demand	Anodyne	EPHX2	16	40
Cn1c(=O)c(CNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc2ccccc21	ZINC000852354066	GC	On-Demand	Reactive	NPSR1	31	40
CC(C)(C)OC(=O)N1CCN(CCNC(C)(C)c2cccc(C#N)c2)CC1	ZINC000852354113	FF	On-Demand	Mild	DRD4	42	32
CC(C)(C)OC(=O)N1CCN(CCNC(C)(C)c2cccc(C#N)c2)CC1	ZINC000852354113	FF	On-Demand	Mild	GPR119	30	40
CC[C@@H](C)CONC(=O)NCc1cccc(COC[C@H]2CCCO2)c1	ZINC000852354126	FG	On-Demand	Anodyne	PDS	41	32
CC[C@H](C)CONC(=O)NCc1cccc(COC[C@H]2CCCO2)c1	ZINC000852354127	FG	On-Demand	Anodyne	PDS	41	32
CC[C@@H](C)CONC(=O)NCc1cccc(COC[C@@H]2CCCO2)c1	ZINC000852354128	FG	On-Demand	Anodyne	PDS	41	32
CC[C@H](C)CONC(=O)NCc1cccc(COC[C@@H]2CCCO2)c1	ZINC000852354129	FG	On-Demand	Anodyne	PDS	41	32
COCCN(CCF)C(=O)NCc1ccc(-c2ccccc2)cc1F	ZINC000852354141	EH	On-Demand	Anodyne	BDKRB1	17	40
O=C(COc1nsnc1N1CCOCC1)NC12CC3CC(CC(C3)C1)C2	ZINC000852354153	GD	On-Demand	Anodyne	LIPA	85	51
O=C(COc1nsnc1N1CCOCC1)NC12CC3CC(CC(C3)C1)C2	ZINC000852354153	GD	On-Demand	Anodyne	EPHX2	54	44
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1CCN(c2ccccc2F)C1	ZINC000852354164	GD	On-Demand	Anodyne	SFRP1	80	32
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1CCN(c2ccccc2F)C1	ZINC000852354164	GD	On-Demand	Anodyne	WNT3	49	31
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1CCN(c2ccccc2F)C1	ZINC000852354165	GD	On-Demand	Anodyne	SFRP1	80	32
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1CCN(c2ccccc2F)C1	ZINC000852354165	GD	On-Demand	Anodyne	WNT3	49	31
COc1ccc(C)cc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852354173	FD	On-Demand	Anodyne	LIPA	75	44
C[C@@H](CF)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852354267	CF	On-Demand	Anodyne	ANPEP	17	41
C[C@@H](CF)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852354267	CF	On-Demand	Anodyne	SOAT1	28	42
C[C@@H](CF)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852354268	CF	On-Demand	Anodyne	ANPEP	17	41
C[C@@H](CF)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852354268	CF	On-Demand	Anodyne	SOAT1	28	42
CCC(C)(C)[C@@H](C)NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852354280	CD	On-Demand	Anodyne	AMY2	56	33
CCC(C)(C)[C@@H](C)NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852354281	CD	On-Demand	Anodyne	AMY2	56	33
CCC(C)(C)[C@@H](C)NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852354296	DE	On-Demand	Reactive	KCNK3	58	41
CCC(C)(C)[C@@H](C)NCC(=O)NNC(=O)c1cccc(C)c1	ZINC000852354296	DE	On-Demand	Reactive	KCNK9	46	41
O=C(COc1nsnc1N1CCOCC1)NCc1ccc2c(c1)OCO2	ZINC000852354308	GC	On-Demand	Anodyne	NOS2	113	46
O=C(COc1nsnc1N1CCOCC1)NCc1ccc2c(c1)OCO2	ZINC000852354308	GC	On-Demand	Anodyne	LIPA	78	47
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1Sc1ccccc1	ZINC000852354309	IH	On-Demand	Anodyne	PRKDC	46	32
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1Sc1ccccc1	ZINC000852354309	IH	On-Demand	Anodyne	LIPA	76	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852354314	GE	On-Demand	Anodyne	TRPV1	32	44
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852354314	GE	On-Demand	Anodyne	PIK3CA	36	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852354314	GE	On-Demand	Anodyne	MTOR	66	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852354314	GE	On-Demand	Anodyne	LIPA	80	47
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852354314	GE	On-Demand	Anodyne	EPHX2	36	48
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852354314	GE	On-Demand	Anodyne	MCHR1	22	55
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852354314	GE	On-Demand	Anodyne	STAT6	47	32
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(C(F)(F)F)cc1	ZINC000852354314	GE	On-Demand	Anodyne	TRPM8	47	38
O=C(COc1nsnc1N1CCOCC1)NCCCc1ccccc1	ZINC000852354326	FD	On-Demand	Anodyne	LIPA	81	48
O=C(COc1nsnc1N1CCOCC1)NCCCc1ccccc1	ZINC000852354326	FD	On-Demand	Anodyne	CRTM	36	41
O=C(CNC(=O)NNc1ccc(Cl)cn1)NCCN1CCCCCC1	ZINC000852354329	FD	On-Demand	Reactive	F10	24	41
O=C(CNC(=O)NNc1ccc(Cl)cn1)NCCN1CCCCCC1	ZINC000852354329	FD	On-Demand	Reactive	HNMT	50	35
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA2	55	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA6	17	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA1	54	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA7	37	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA13	19	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA4	33	43
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA12	38	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA9	46	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CAH_METTE	28	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	NCE103	22	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	CA15	19	44
NS(=O)(=O)c1ccc(CCN2CCCC3(CCCC3)CC2)cc1	ZINC000852354345	EF	On-Demand	Anodyne	A6YCJ1_9METZ	23	44
C[C@@H](CF)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852354355	DF	On-Demand	Anodyne	ADRB2	37	44
C[C@@H](CF)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852354356	DF	On-Demand	Anodyne	ADRB2	37	44
NC(=O)COc1ccc(CN2CCCC3(CCCC3)CC2)cc1	ZINC000852354399	DG	On-Demand	Anodyne	HRH3	31	47
NC(=O)COc1ccc(CN2CCCC3(CCCC3)CC2)cc1	ZINC000852354399	DG	On-Demand	Anodyne	NPFFR1	44	38
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	ZINC000852354410	JE	On-Demand	Anodyne	CNR2	17	53
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	ZINC000852354410	JE	On-Demand	Anodyne	NR1H4	20	42
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	ZINC000852354410	JE	On-Demand	Anodyne	LIPA	77	44
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1	ZINC000852354410	JE	On-Demand	Anodyne	EPHX2	18	41
CN(C)S(=O)(=O)c1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852354413	IC	On-Demand	Anodyne	LIPA	75	44
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	PIK3CA	47	42
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	JAK2	15	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	MTOR	83	40
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	LIPA	87	52
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	EPHX2	18	42
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	PIK3CG	36	40
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	PIK3CB	15	40
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	STAT6	72	40
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852354416	HD	On-Demand	Anodyne	DGAT1	17	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1Oc1ccccc1	ZINC000852354421	HG	On-Demand	Anodyne	LIPA	77	46
O=C(COc1nsnc1N1CCOCC1)Nc1cc(Cl)cc(Cl)c1	ZINC000852354425	GF	On-Demand	Anodyne	LIPA	84	50
O=C(COc1nsnc1N1CCOCC1)Nc1cc(Cl)cc(Cl)c1	ZINC000852354425	GF	On-Demand	Anodyne	PIK3CB	15	40
CCC(CC)(CNC(=O)N1CCC(NC(=O)OC)CC1)OC	ZINC000852354445	DD	On-Demand	Anodyne	EPHX2	20	40
COC(=O)c1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852354458	GC	On-Demand	Anodyne	PIK3CA	33	40
COC(=O)c1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852354458	GC	On-Demand	Anodyne	MTOR	41	40
COC(=O)c1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852354458	GC	On-Demand	Anodyne	LIPA	78	47
COC(=O)c1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852354458	GC	On-Demand	Anodyne	PIK3CG	18	40
Cc1cccc(C(C)C)c1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852354471	GF	On-Demand	Anodyne	LIPA	80	47
Cc1ccc2nc(-c3ccc(NC(=O)COc4nsnc4N4CCOCC4)cc3)sc2c1	ZINC000852354475	JH	On-Demand	Anodyne	PIK3CA	56	39
Cc1ccc2nc(-c3ccc(NC(=O)COc4nsnc4N4CCOCC4)cc3)sc2c1	ZINC000852354475	JH	On-Demand	Anodyne	APP	18	43
Cc1ccc2nc(-c3ccc(NC(=O)COc4nsnc4N4CCOCC4)cc3)sc2c1	ZINC000852354475	JH	On-Demand	Anodyne	MTOR	82	41
Cc1ccc2nc(-c3ccc(NC(=O)COc4nsnc4N4CCOCC4)cc3)sc2c1	ZINC000852354475	JH	On-Demand	Anodyne	LIPA	69	39
Cc1ccc2nc(-c3ccc(NC(=O)COc4nsnc4N4CCOCC4)cc3)sc2c1	ZINC000852354475	JH	On-Demand	Anodyne	MCHR1	17	42
Cc1ccc2nc(-c3ccc(NC(=O)COc4nsnc4N4CCOCC4)cc3)sc2c1	ZINC000852354475	JH	On-Demand	Anodyne	ETHR	15	47
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1C[C@@H](c2ccc(F)cc2)C1	ZINC000852354505	GH	On-Demand	Clean	CCR3	46	40
COC(=O)N(C)CCNC(=O)NC[C@@H](c1ccccc1)C1CC1	ZINC000852354514	DE	On-Demand	Anodyne	AMY2	44	30
COC(=O)N(C)CCNC(=O)NC[C@H](c1ccccc1)C1CC1	ZINC000852354515	DE	On-Demand	Anodyne	AMY2	44	30
NC(=O)c1ccccc1NC(=O)CN1CCCC2(CCCC2)CC1	ZINC000852354542	EF	On-Demand	Anodyne	PARP1	19	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2ccccc2c1	ZINC000852354561	FF	On-Demand	Anodyne	PIK3CA	60	39
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2ccccc2c1	ZINC000852354561	FF	On-Demand	Anodyne	PIK3CD	29	42
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2ccccc2c1	ZINC000852354561	FF	On-Demand	Anodyne	MTOR	73	38
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2ccccc2c1	ZINC000852354561	FF	On-Demand	Anodyne	LIPA	81	48
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2ccccc2c1	ZINC000852354561	FF	On-Demand	Anodyne	PIK3CB	31	42
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2ccccc2c1	ZINC000852354561	FF	On-Demand	Anodyne	MCHR1	22	52
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2ccccc2c1	ZINC000852354561	FF	On-Demand	Anodyne	STAT6	55	36
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2ccccc2c1	ZINC000852354561	FF	On-Demand	Anodyne	IMDH_CRYPV	24	41
N#Cc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852354585	ED	On-Demand	Mild	CASR	18	45
N#Cc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852354585	ED	On-Demand	Mild	STK3	17	41
N#Cc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852354585	ED	On-Demand	Mild	LIPA	76	45
N#Cc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852354585	ED	On-Demand	Mild	MCHR1	25	42
N#Cc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852354585	ED	On-Demand	Mild	LRRK2	16	41
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852354606	JD	On-Demand	Anodyne	LIPA	87	49
C[C@@H]1Cc2ccccc2N1C(=O)COc1nsnc1N1CCOCC1	ZINC000852354617	FD	On-Demand	Anodyne	DRD4	24	42
C[C@@H]1Cc2ccccc2N1C(=O)COc1nsnc1N1CCOCC1	ZINC000852354617	FD	On-Demand	Anodyne	LIPA	74	44
C[C@@H]1Cc2ccccc2N1C(=O)COc1nsnc1N1CCOCC1	ZINC000852354617	FD	On-Demand	Anodyne	TPP2	51	33
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)cc1Cl	ZINC000852354631	GF	On-Demand	Anodyne	PRKDC	56	33
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)cc1Cl	ZINC000852354631	GF	On-Demand	Anodyne	LIPA	78	47
O=C(COc1nsnc1N1CCOCC1)N1CCc2ccccc2C1	ZINC000852354634	FD	On-Demand	Anodyne	LIPA	84	50
O=C(NCc1ccc(C2CCCCC2)cc1)NCc1ncccn1	ZINC000852354657	DH	On-Demand	Anodyne	NAMPT	35	42
CCCCC[C@@H](C)NC(=O)CNC(C)(C)c1cccc(C#N)c1	ZINC000852354698	DG	On-Demand	Mild	CTRB_BOVIN	60	37
CCOC(=O)N1CCN(C(=O)CNC(C)(C)c2cccc(C#N)c2)CC1	ZINC000852354759	FD	On-Demand	Mild	P2RY12	63	41
O=C(COc1nsnc1N1CCOCC1)NC1CC1	ZINC000852354765	CC	On-Demand	Anodyne	LIPA	92	55
CCOC(=O)C1=C(CNC(C)(C)c2cccc(C#N)c2)NC(=O)N[C@@H]1C	ZINC000852354777	FD	On-Demand	Mild	CACNA1D	41	36
CCOC(=O)C1=C(CNC(C)(C)c2cccc(C#N)c2)NC(=O)N[C@H]1C	ZINC000852354779	FD	On-Demand	Mild	CACNA1D	41	36
O=C(COc1nsnc1N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1	ZINC000852354806	HC	On-Demand	Anodyne	LIPA	80	47
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852354836	DH	On-Demand	Anodyne	KCNQ2	35	48
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852354836	DH	On-Demand	Anodyne	PRNP	40	37
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N1CCCCC1	ZINC000852354857	JD	On-Demand	Anodyne	CNR2	17	53
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N1CCCCC1	ZINC000852354857	JD	On-Demand	Anodyne	NR1H4	20	42
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N1CCCCC1	ZINC000852354857	JD	On-Demand	Anodyne	LIPA	77	44
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N1CCCCC1	ZINC000852354857	JD	On-Demand	Anodyne	EPHX2	18	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852354864	HE	On-Demand	Anodyne	PIK3CA	36	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852354864	HE	On-Demand	Anodyne	MTOR	71	39
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852354864	HE	On-Demand	Anodyne	LIPA	97	54
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(N2CCCCC2)cc1	ZINC000852354864	HE	On-Demand	Anodyne	STAT6	69	38
O=C(COc1nsnc1N1CCOCC1)NC(c1ccccc1)c1ccccc1	ZINC000852354872	HF	On-Demand	Anodyne	CASR	42	36
O=C(COc1nsnc1N1CCOCC1)NC(c1ccccc1)c1ccccc1	ZINC000852354872	HF	On-Demand	Anodyne	LIPA	84	50
CCC(C)(C)[C@@H](C)NCC(=O)NCc1ccc(NC(=O)OC)cc1	ZINC000852354916	EF	On-Demand	Anodyne	TPSAB1	15	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852354919	HG	On-Demand	Anodyne	TRPV1	23	44
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852354919	HG	On-Demand	Anodyne	RAF1	36	51
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852354919	HG	On-Demand	Anodyne	LIPA	72	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852354919	HG	On-Demand	Anodyne	MCHR1	20	47
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852354919	HG	On-Demand	Anodyne	BRAF	19	51
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852354919	HG	On-Demand	Anodyne	IMDH_CRYPV	24	42
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)c(Cl)c1	ZINC000852354937	FE	On-Demand	Anodyne	PRKDC	62	32
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)c(Cl)c1	ZINC000852354937	FE	On-Demand	Anodyne	LIPA	76	45
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852354941	JC	On-Demand	Anodyne	LIPA	82	48
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000852354941	JC	On-Demand	Anodyne	F13A1	37	40
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)cc1F	ZINC000852354947	FE	On-Demand	Anodyne	PRKDC	51	33
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)cc1F	ZINC000852354947	FE	On-Demand	Anodyne	LIPA	77	46
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)cc1F	ZINC000852354947	FE	On-Demand	Anodyne	PIK3CB	20	40
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Cl)cc1F	ZINC000852354947	FE	On-Demand	Anodyne	STAT6	46	31
CCC(CC)(CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852354952	EF	On-Demand	Clean	MTNR1A	15	48
CCC(CC)(CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852354952	EF	On-Demand	Clean	MTNR1B	15	48
CCC(CC)(CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852354953	EF	On-Demand	Clean	MTNR1A	15	48
CCC(CC)(CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852354953	EF	On-Demand	Clean	MTNR1B	15	48
CC(=O)CCN1CCCC2(CCCC2)CC1	ZINC000852354969	BG	On-Demand	Anodyne	PAOX	18	41
O=C(COc1nsnc1N1CCOCC1)N1CCC(Cc2ccccc2)CC1	ZINC000852354970	HE	On-Demand	Anodyne	GRIN2B	77	41
O=C(COc1nsnc1N1CCOCC1)N1CCC(Cc2ccccc2)CC1	ZINC000852354970	HE	On-Demand	Anodyne	LIPA	78	47
CCOc1ccccc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852354979	FD	On-Demand	Anodyne	PRKDC	47	32
CCOc1ccccc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852354979	FD	On-Demand	Anodyne	PIK3CA	29	40
CCOc1ccccc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852354979	FD	On-Demand	Anodyne	MTOR	42	35
CCOc1ccccc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852354979	FD	On-Demand	Anodyne	LIPA	78	47
CCOc1ccccc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852354979	FD	On-Demand	Anodyne	HCN1	48	36
O=C(COc1nsnc1N1CCOCC1)N1CCCc2ccccc21	ZINC000852355017	FD	On-Demand	Anodyne	LIPA	80	46
O=C(COc1nsnc1N1CCOCC1)N1CCCc2ccccc21	ZINC000852355017	FD	On-Demand	Anodyne	PIK3CB	18	46
O=C(CN1CCCC2(CCCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852355054	FH	On-Demand	Anodyne	MTOR	67	37
O=C(CN1CCCC2(CCCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852355054	FH	On-Demand	Anodyne	EPHX2	17	44
O=C(CN1CCCC2(CCCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852355054	FH	On-Demand	Anodyne	STAT6	59	34
C[C@@H](CF)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852355060	GF	On-Demand	Anodyne	TACR1	30	40
C[C@@H](CF)NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852355060	GF	On-Demand	Anodyne	EPHX2	27	40
CCC(C)(C)[C@@H](C)NC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852355061	EG	On-Demand	Anodyne	GPR119	38	45
CCC(C)(C)[C@@H](C)NC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852355064	EG	On-Demand	Anodyne	GPR119	38	45
C[C@@H]1[C@@H](NC(=O)COc2nsnc2N2CCOCC2)CCC[C@H]1C	ZINC000852355086	FD	On-Demand	Anodyne	LIPA	84	47
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852355087	FD	On-Demand	Anodyne	LIPA	84	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4ccc(F)cc4)C3)C2)cc1	ZINC000852355109	GH	On-Demand	Clean	SLC6A3	25	42
CCC(C)(C)[C@@H](C)NCC(=O)NNC(=O)c1cccc(C#N)c1	ZINC000852355112	DD	On-Demand	Reactive	CTRB_BOVIN	43	30
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	CASR	44	41
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	ACOX1	19	43
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	LIPA	77	46
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	EPHX2	25	45
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	PIK3CB	19	43
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	MCHR1	22	43
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	STAT6	43	35
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	LIMK2	27	43
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1	ZINC000852355144	HG	On-Demand	Anodyne	DGAT1	20	47
COC(=O)N(C)CCNC(=O)NCc1cccc(N2CCOCC2)c1	ZINC000852355145	FD	On-Demand	Anodyne	EPHB4	60	36
O=C(COc1nsnc1N1CCOCC1)NCCc1ccc(F)cc1	ZINC000852355181	FD	On-Demand	Anodyne	LIPA	80	47
O=C(CN1CCCC2(CCCC2)CC1)Nc1cccnc1Cl	ZINC000852355197	DH	On-Demand	Anodyne	G2YM83_BOTF4	69	35
O=C(COc1nsnc1N1CCOCC1)NCC1CCCCC1	ZINC000852355223	ED	On-Demand	Anodyne	LIPA	94	54
COCCN(CCF)C(=O)NCc1ccc(C(C)(F)F)cc1	ZINC000852355244	DF	On-Demand	Anodyne	TRPV1	16	41
O=C(COc1nsnc1N1CCOCC1)NN=C(c1ccccc1)c1ccccc1	ZINC000852355259	HE	On-Demand	Reactive	LIPA	86	51
O=C(NCCN1CCCOCC1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852355319	GD	On-Demand	Anodyne	PLD2	44	35
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(NC(C)=O)ccc12	ZINC000852355320	EH	On-Demand	Anodyne	HSD17B3	18	41
COC(=O)N(C)CCNC(=O)NCc1ccc(C(C)(F)F)cc1	ZINC000852355346	EE	On-Demand	Anodyne	TRPV1	22	44
O=C(COc1nsnc1N1CCOCC1)N1CCCCC1	ZINC000852355356	DC	On-Demand	Anodyne	LIPA	114	67
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(F)c(F)c1F	ZINC000852355358	FD	On-Demand	Anodyne	LIPA	80	47
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(F)c(F)c1F	ZINC000852355358	FD	On-Demand	Anodyne	STAT6	43	34
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852355373	DH	On-Demand	Anodyne	CYP11B1	17	41
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852355373	DH	On-Demand	Anodyne	MAOA	49	37
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852355373	DH	On-Demand	Anodyne	MAOB	47	48
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(OC)ccc12	ZINC000852355373	DH	On-Demand	Anodyne	HSD17B3	17	40
CCC(C)(C)[C@@H](C)NC[C@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000852355378	DF	On-Demand	Anodyne	ADRB3	18	43
CCC(C)(C)[C@@H](C)NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000852355380	DF	On-Demand	Anodyne	ADRB3	18	43
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1[N+](=O)[O-]	ZINC000852355390	GD	On-Demand	Bother	LIPA	71	42
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852355426	GF	On-Demand	Anodyne	DRD2	16	45
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852355426	GF	On-Demand	Anodyne	CNR1	54	43
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852355426	GF	On-Demand	Anodyne	HTR2A	17	42
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852355426	GF	On-Demand	Anodyne	HTR2C	17	42
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852355426	GF	On-Demand	Anodyne	DRD3	30	45
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852355426	GF	On-Demand	Anodyne	CNR2	19	42
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852355426	GF	On-Demand	Anodyne	MC4R	47	35
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852355426	GF	On-Demand	Anodyne	CXCR3	18	45
O=C(COc1nsnc1N1CCOCC1)NN(c1ccccc1)c1ccccc1	ZINC000852355428	HF	On-Demand	Reactive	LIPA	84	50
C[C@@H](CF)NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852355433	GF	On-Demand	Anodyne	TACR1	35	43
CC(C)c1ccccc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852355453	FF	On-Demand	Anodyne	PRKDC	59	33
CC(C)c1ccccc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852355453	FF	On-Demand	Anodyne	MTOR	40	33
CC(C)c1ccccc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852355453	FF	On-Demand	Anodyne	LIPA	78	47
O=C(COc1nsnc1N1CCOCC1)NC1CCCCCCC1	ZINC000852355462	FD	On-Demand	Anodyne	LIPA	97	56
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852355478	JE	On-Demand	Anodyne	LIPA	70	41
C[C@@H](CF)NC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852355481	FG	On-Demand	Anodyne	GPR119	35	44
C[C@@H](CF)NC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852355482	FG	On-Demand	Anodyne	GPR119	35	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CF)C2)cc1	ZINC000852355484	CD	On-Demand	Clean	MTNR1A	16	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CF)C2)cc1	ZINC000852355484	CD	On-Demand	Clean	MTNR1B	18	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CF)C2)cc1	ZINC000852355484	CD	On-Demand	Clean	MCHR1	15	42
C[C@@H](CF)NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1	ZINC000852355499	FC	On-Demand	Reactive	SIGMAR1	18	42
C[C@@H](CF)NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852355510	EE	On-Demand	Anodyne	TPP2	43	30
C[C@@H](CF)NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852355511	EE	On-Demand	Anodyne	TPP2	43	30
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852355513	EF	On-Demand	Anodyne	MTOR	66	39
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852355513	EF	On-Demand	Anodyne	EPHX2	20	45
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852355513	EF	On-Demand	Anodyne	STAT6	57	35
CCC(C)(C)[C@@H](C)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852355527	ED	On-Demand	Reactive	CACNA1D	48	32
O=C(NCCN1CCCOCC1)NCc1ncccn1	ZINC000852355580	CB	On-Demand	Anodyne	EPHX2	22	44
O=C(NCCN1CCCOCC1)NCc1ncccn1	ZINC000852355580	CB	On-Demand	Anodyne	HPGDS	25	46
CCC(C)(C)[C@@H](C)NCC(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000852355583	EE	On-Demand	Anodyne	CA4	16	49
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852355590	DF	On-Demand	Anodyne	ENPP1	51	32
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)cc1	ZINC000852355597	FD	On-Demand	Clean	DRD4	48	39
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)cc1	ZINC000852355597	FD	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)cc1	ZINC000852355597	FD	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)cc1	ZINC000852355597	FD	On-Demand	Clean	PTGDS	37	40
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)cc1	ZINC000852355597	FD	On-Demand	Clean	EPHX2	20	43
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)cc1	ZINC000852355597	FD	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCCOCC3)C2)cc1	ZINC000852355597	FD	On-Demand	Clean	MCHR1	17	43
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	MME	54	38
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	LTA4H	25	42
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	CTSB	40	38
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	PAPA1_CARPA	44	34
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	CYSP_TRYCR	42	37
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	CAPNS1	57	39
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	CAPN1	70	39
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	CAPN2	90	36
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	ACE2	40	38
CCC(C)(C)[C@@H](C)NCC(=O)NOCc1ccccc1	ZINC000852355619	CF	On-Demand	Anodyne	NPR	70	34
CCC(C)(C)[C@@H](C)NCC(=O)NNC(=O)c1ccc(C#N)cc1	ZINC000852355625	DD	On-Demand	Reactive	CTRB_BOVIN	54	38
C[C@@H](CF)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852355644	EG	On-Demand	Anodyne	ANPEP	19	42
C[C@@H](CF)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852355644	EG	On-Demand	Anodyne	ROCK2	20	42
C[C@@H](CF)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852355644	EG	On-Demand	Anodyne	FPR1	49	34
C[C@@H](CF)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852355644	EG	On-Demand	Anodyne	PDS	44	34
O=C(COc1nsnc1N1CCOCC1)NCCc1ccccc1	ZINC000852355650	ED	On-Demand	Anodyne	LIPA	84	50
C[C@@H](CF)NC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852355655	GF	On-Demand	Anodyne	CCR5	91	38
CCC(C)(C)[C@@H](C)NCc1ccc(OC(C)=O)cc1	ZINC000852355678	CH	On-Demand	Anodyne	PPO2	15	40
CCN(CC)S(=O)(=O)c1cc(NC(=O)COc2nsnc2N2CCOCC2)ccc1C	ZINC000852355720	JD	On-Demand	Anodyne	LIPA	67	40
CCC(C)(C)[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852355749	CG	On-Demand	Bother	ADRB2	15	42
CCC(C)(C)[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852355751	CG	On-Demand	Bother	ADRB2	15	42
NC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852355758	FC	On-Demand	Anodyne	PIK3CA	51	44
NC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852355758	FC	On-Demand	Anodyne	PIK3CD	19	40
NC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852355758	FC	On-Demand	Anodyne	MTOR	82	44
NC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852355758	FC	On-Demand	Anodyne	LIPA	81	48
NC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852355758	FC	On-Demand	Anodyne	PIK3CG	42	44
NC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852355758	FC	On-Demand	Anodyne	PIK3CB	20	40
NC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852355758	FC	On-Demand	Anodyne	STAT6	66	38
O=C(CNC(=O)NCc1ncccn1)NCCN1CCCCCC1	ZINC000852355759	EC	On-Demand	Anodyne	HNMT	78	39
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCc1ccc(C(C)(F)F)cc1	ZINC000852355832	GF	On-Demand	Reactive	TRPV1	23	40
O=C(NCCN1CCCOCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852355848	FD	On-Demand	Anodyne	EPHX2	15	42
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852355849	FD	On-Demand	Anodyne	EPHX2	15	42
O=C(NCc1cccc(N2CCOCC2)c1)NNc1ccc(Cl)cn1	ZINC000852355855	FE	On-Demand	Reactive	F10	35	54
O=C(NCc1cccc(N2CCOCC2)c1)NNc1ccc(Cl)cn1	ZINC000852355855	FE	On-Demand	Reactive	SCN10A	22	40
O=C(NCc1cccc(N2CCOCC2)c1)NNc1ccc(Cl)cn1	ZINC000852355855	FE	On-Demand	Reactive	STAT6	68	39
Cn1ncc(CCCNC(=O)N2CC[C@H]2c2ccc(F)cc2)n1	ZINC000852355858	DE	On-Demand	Anodyne	ADRA1A	42	37
Cn1ncc(CCCNC(=O)N2CC[C@@H]2c2ccc(F)cc2)n1	ZINC000852355859	DE	On-Demand	Anodyne	ADRA1A	42	37
Cn1ncc(CCCNC(=O)NCCc2ccnc3ccccc23)n1	ZINC000852355877	ED	On-Demand	Anodyne	MTNR1A	30	40
Cn1ncc(CCCNC(=O)NCCc2ccnc3ccccc23)n1	ZINC000852355877	ED	On-Demand	Anodyne	MTNR1B	26	40
Cn1ncc(CCCNC(=O)NCCc2ccnc3ccccc23)n1	ZINC000852355877	ED	On-Demand	Anodyne	HNMT	48	37
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852355879	FG	On-Demand	Anodyne	CA2	18	42
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852355879	FG	On-Demand	Anodyne	CA1	20	42
CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852355879	FG	On-Demand	Anodyne	CA4	21	42
CCC(C)(C)[C@@H](C)NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852355882	EG	On-Demand	Anodyne	MTOR	61	38
CCC(C)(C)[C@@H](C)NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852355882	EG	On-Demand	Anodyne	EPHX2	17	44
CCC(C)(C)[C@@H](C)NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852355882	EG	On-Demand	Anodyne	MERTK	22	42
CCC(C)(C)[C@@H](C)NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852355882	EG	On-Demand	Anodyne	STAT6	64	36
O=C(COc1nsnc1N1CCOCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000852355889	FD	On-Demand	Bother	LIPA	75	44
O=C(NCc1cccc(N2CCOCC2)c1)NCc1ncccn1	ZINC000852355904	ED	On-Demand	Anodyne	PIK3CA	37	42
O=C(NCc1cccc(N2CCOCC2)c1)NCc1ncccn1	ZINC000852355904	ED	On-Demand	Anodyne	PIK3CD	19	42
O=C(NCc1cccc(N2CCOCC2)c1)NCc1ncccn1	ZINC000852355904	ED	On-Demand	Anodyne	MTOR	33	42
O=C(NCc1cccc(N2CCOCC2)c1)NCc1ncccn1	ZINC000852355904	ED	On-Demand	Anodyne	PIK3CG	19	42
O=C(NCc1cccc(N2CCOCC2)c1)NCc1ncccn1	ZINC000852355904	ED	On-Demand	Anodyne	EPHB4	50	36
O=C(NCc1cccc(N2CCOCC2)c1)NCc1ncccn1	ZINC000852355904	ED	On-Demand	Anodyne	STAT6	60	41
CN(C(=O)COc1nsnc1N1CCOCC1)C1CCCCC1	ZINC000852355910	ED	On-Demand	Anodyne	LIPA	87	50
CCC(C)(C)[C@@H](C)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000852355924	FF	On-Demand	Clean	NPY2R	43	31
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc(N2CCOCC2)c1	ZINC000852355944	GD	On-Demand	Anodyne	CARM1	42	32
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc(N2CCOCC2)c1	ZINC000852355944	GD	On-Demand	Anodyne	STAT6	56	39
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc(N2CCOCC2)c1	ZINC000852355945	GD	On-Demand	Anodyne	CARM1	42	32
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc(N2CCOCC2)c1	ZINC000852355945	GD	On-Demand	Anodyne	STAT6	56	39
Cn1ncc(CCCNC(=O)NCc2ccc(-c3cccs3)cc2)n1	ZINC000852355949	FF	On-Demand	Anodyne	GPR142	42	36
O=C(NCc1cccc(N2CCOCC2)c1)NNC(=O)c1cccc(F)n1	ZINC000852355950	FD	On-Demand	Reactive	STAT6	55	39
COC(=O)c1nc(CNC(=O)NCc2ccc(C(C)(F)F)cc2)ccc1Cl	ZINC000852355951	GH	On-Demand	Anodyne	TRPV1	19	44
Cn1ncc(CCCNC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852355956	GF	On-Demand	Anodyne	HTR2A	15	41
C[C@@H]1CCCN(C(=O)COc2nsnc2N2CCOCC2)C1	ZINC000852355999	ED	On-Demand	Anodyne	LIPA	93	53
Cn1ncc(CCCNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852356007	ED	On-Demand	Anodyne	SCN2A	18	43
Cn1ncc(CCCNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852356007	ED	On-Demand	Anodyne	SCN10A	19	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	PDGFRB	30	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	LTA4H	49	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	ACOX1	19	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	MTOR	69	39
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	LIPA	80	47
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	EPHX2	18	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	PIK3CB	15	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	MCHR1	22	44
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	STAT6	57	37
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852356051	HG	On-Demand	Anodyne	DGAT1	19	43
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCCOC2=O)cc1	ZINC000852356055	GF	On-Demand	Anodyne	MAPK1	51	40
CCC(C)(C)[C@@H](C)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852356061	GG	On-Demand	Anodyne	NPY2R	98	41
CCC(C)(C)[C@@H](C)NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852356061	GG	On-Demand	Anodyne	SLC6A9	23	47
CCC(C)(C)[C@@H](C)NCC(=O)NNC(=O)c1ccccc1Cl	ZINC000852356062	EF	On-Demand	Reactive	ECR	49	40
CCC(C)(C)[C@@H](C)NCC(=O)Nc1cccnc1Cl	ZINC000852356080	CG	On-Demand	Anodyne	G2YM83_BOTF4	70	37
CCOC(=O)N1CCC(NC(=O)CN[C@H](C)C(C)(C)CC)CC1	ZINC000852356089	EE	On-Demand	Anodyne	CCR8	16	40
CCOC(=O)N1CCC(NC(=O)CN[C@@H](C)C(C)(C)CC)CC1	ZINC000852356090	EE	On-Demand	Anodyne	CCR8	16	40
O=C(NCCN1CCCOCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356096	GE	On-Demand	Anodyne	TACR2	46	38
O=C(NCCN1CCCOCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356096	GE	On-Demand	Anodyne	EPHX2	15	42
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356097	GE	On-Demand	Anodyne	TACR2	46	38
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356097	GE	On-Demand	Anodyne	EPHX2	15	42
O=C(NCCN1CCCOCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852356118	GD	On-Demand	Clean	EPHX2	21	45
O=C(NCCN1CCCOCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852356118	GD	On-Demand	Clean	L3MBTL3	39	46
O=C(NCCN1CCCOCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852356118	GD	On-Demand	Clean	NAMPT	15	40
O=C(COc1nsnc1N1CCOCC1)N(CCc1ccccc1)Cc1ccccc1	ZINC000852356119	IG	On-Demand	Anodyne	LIPA	74	44
C[C@H]1CCC[C@H](C)N1C(=O)COc1nsnc1N1CCOCC1	ZINC000852356133	ED	On-Demand	Anodyne	LIPA	86	49
CCC(C)(C)[C@@H](C)NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	ZINC000852356156	FD	On-Demand	Reactive	MT-ND1	23	40
CCC(C)(C)[C@@H](C)NCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	ZINC000852356156	FD	On-Demand	Reactive	ENPP1	55	31
Cn1ncc(CCCNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852356158	FD	On-Demand	Anodyne	ACHE	23	43
Cn1ncc(CCCNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852356158	FD	On-Demand	Anodyne	HTR4	35	41
Cn1ncc(CCCNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852356158	FD	On-Demand	Anodyne	SIGMAR1	15	40
Cn1ncc(CCCNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852356158	FD	On-Demand	Anodyne	SSTR5	45	35
Cn1ncc(CCCNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852356158	FD	On-Demand	Anodyne	CCR3	37	40
Cn1ncc(CCCNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852356158	FD	On-Demand	Anodyne	CACNA1I	60	39
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(C)ccc12	ZINC000852356172	CI	On-Demand	Anodyne	MAOB	17	41
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(C)ccc12	ZINC000852356172	CI	On-Demand	Anodyne	HSD17B3	19	42
CC(=O)Nc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852356186	GD	On-Demand	Anodyne	PIK3CA	49	41
CC(=O)Nc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852356186	GD	On-Demand	Anodyne	MTOR	86	38
CC(=O)Nc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852356186	GD	On-Demand	Anodyne	LIPA	85	51
CC(=O)Nc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852356186	GD	On-Demand	Anodyne	STAT6	48	34
O=C(NCCN1CCCOCC1)NNC(=O)c1cccc(F)n1	ZINC000852356193	EB	On-Demand	Reactive	EPHX2	18	44
O=C(NCCN1CCCOCC1)NNC(=O)c1cccc(F)n1	ZINC000852356193	EB	On-Demand	Reactive	HPGDS	26	45
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	MME	59	43
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	LTA4H	24	41
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	ANPEP	48	33
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	KLK3	50	34
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	CTSB	53	42
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	PAPA1_CARPA	62	37
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	CYSP_TRYCR	51	40
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	CTSK	37	41
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	CTSL	39	41
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	AMY2	54	32
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	CAPNS1	66	38
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	CTSS	22	41
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	CAPN1	84	40
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	CAPN2	113	40
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	ACE2	42	37
CCC(C)(C)[C@@H](C)NCC(=O)OCc1ccccc1	ZINC000852356209	CG	On-Demand	Anodyne	NPR	80	37
O=C(COc1nsnc1N1CCOCC1)N(Cc1ccccc1)Cc1ccccc1	ZINC000852356213	HF	On-Demand	Anodyne	LIPA	80	48
O=C(NCCN1CCCOCC1)NNc1ccc(Cl)cn1	ZINC000852356235	DD	On-Demand	Reactive	CNR2	16	41
O=C(NCCN1CCCOCC1)NNc1ccc(Cl)cn1	ZINC000852356235	DD	On-Demand	Reactive	EPHX2	22	48
O=C(NCCN1CCCOCC1)NNc1ccc(Cl)cn1	ZINC000852356235	DD	On-Demand	Reactive	HPGDS	22	40
O=C(NCCN1CCCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356245	FD	On-Demand	Anodyne	CNR2	15	42
O=C(NCCN1CCCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356245	FD	On-Demand	Anodyne	CASR	42	33
O=C(NCCN1CCCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356245	FD	On-Demand	Anodyne	ADCY5	19	43
O=C(NCCN1CCCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356245	FD	On-Demand	Anodyne	PTGDS	48	43
O=C(NCCN1CCCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356245	FD	On-Demand	Anodyne	EPHX2	16	46
O=C(NCCN1CCCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356245	FD	On-Demand	Anodyne	PLD2	40	33
O=C(NCCN1CCCOCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356245	FD	On-Demand	Anodyne	HPGDS	27	48
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356246	FD	On-Demand	Anodyne	CNR2	15	42
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356246	FD	On-Demand	Anodyne	CASR	42	33
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356246	FD	On-Demand	Anodyne	ADCY5	19	43
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356246	FD	On-Demand	Anodyne	PTGDS	48	43
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356246	FD	On-Demand	Anodyne	EPHX2	16	46
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356246	FD	On-Demand	Anodyne	PLD2	40	33
O=C(NCCN1CCCOCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356246	FD	On-Demand	Anodyne	HPGDS	27	48
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(O)ccc12	ZINC000852356261	CG	On-Demand	Anodyne	MAOB	22	42
CCC(C)(C)[C@@H](C)NCc1cc(=O)oc2cc(O)ccc12	ZINC000852356261	CG	On-Demand	Anodyne	HSD17B3	43	60
O=C(COc1nsnc1N1CCOCC1)N1CCN(Cc2ccccc2)CC1	ZINC000852356269	HD	On-Demand	Anodyne	FAAH	23	42
O=C(COc1nsnc1N1CCOCC1)N1CCN(Cc2ccccc2)CC1	ZINC000852356269	HD	On-Demand	Anodyne	LIPA	81	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(C)(F)F)cc3)C2)cc1	ZINC000852356277	GH	On-Demand	Clean	CCR2	21	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(C)(F)F)cc3)C2)cc1	ZINC000852356277	GH	On-Demand	Clean	SLC6A5	36	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(C)(F)F)cc3)C2)cc1	ZINC000852356277	GH	On-Demand	Clean	MCHR1	26	49
CCN(Cc1ccccc1)C(=O)COc1nsnc1N1CCOCC1	ZINC000852356286	FD	On-Demand	Anodyne	LIPA	75	45
O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852356287	EE	On-Demand	Anodyne	EPHX2	22	40
O=C(NCCCCCN1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852356298	ED	On-Demand	Reactive	HTR1A	29	58
O=C(NCCCCCN1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852356298	ED	On-Demand	Reactive	DRD2	38	58
O=C(NCCCCCN1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852356298	ED	On-Demand	Reactive	DRD4	21	58
O=C(NCCCCCN1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852356298	ED	On-Demand	Reactive	HTR2A	31	41
O=C(NCCCCCN1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852356298	ED	On-Demand	Reactive	HTR2C	29	41
O=C(NCCCCCN1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852356298	ED	On-Demand	Reactive	DRD3	72	58
O=C(NCCCCCN1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852356298	ED	On-Demand	Reactive	CHRNA7	22	47
O=C(NCCCCCN1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852356298	ED	On-Demand	Reactive	HNMT	46	35
C=CCN(Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)[C@@H](C)COC	ZINC000852356359	FG	On-Demand	Mild	MMP12	20	41
C=CCN(Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)[C@H](C)COC	ZINC000852356360	FG	On-Demand	Mild	MMP12	20	41
CCOC(=O)c1c(NC(=O)COc2nsnc2N2CCOCC2)sc(C)c1C	ZINC000852356363	IE	On-Demand	Anodyne	LIPA	76	45
C=CCN(Cc1cccc([N+](=O)[O-])c1Br)[C@H](C)COC	ZINC000852356388	EG	On-Demand	Mild	COLA	109	35
C=CCN(Cc1cccc([N+](=O)[O-])c1Br)[C@@H](C)COC	ZINC000852356389	EG	On-Demand	Mild	COLA	109	35
O=C(NCCCCCN1CCCC1)NCC1SCCS1	ZINC000852356390	DE	On-Demand	Anodyne	EPHX2	15	40
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	HTR1A	40	46
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	DRD2	46	46
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	DRD4	28	42
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	HRH2	27	43
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	HTR2A	37	46
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	HTR2C	24	46
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	DRD3	76	46
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	HTR7	34	41
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	HRH3	18	41
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	SIGMAR1	15	40
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	CCR3	26	43
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	CHRNA7	15	48
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852356409	FG	On-Demand	Anodyne	HNMT	93	40
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	HTR1A	40	46
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	DRD2	46	46
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	DRD4	28	42
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	HRH2	27	43
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	HTR2A	37	46
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	HTR2C	24	46
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	DRD3	76	46
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	HTR7	34	41
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	HRH3	18	41
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	SIGMAR1	15	40
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	CCR3	26	43
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	CHRNA7	15	48
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852356410	FG	On-Demand	Anodyne	HNMT	93	40
C=CCN(C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)COC	ZINC000852356455	CE	On-Demand	Mild	CTSK	15	42
C=CCN(C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)COC	ZINC000852356456	CE	On-Demand	Mild	CTSK	15	42
C=CCN(C[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)COC	ZINC000852356457	CE	On-Demand	Mild	CTSK	15	42
C=CCN(C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)COC	ZINC000852356458	CE	On-Demand	Mild	CTSK	15	42
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)NCCCCCN1CCCC1)C2	ZINC000852356461	GF	On-Demand	Anodyne	EPHX2	17	40
C=CCNC(=O)COc1nsnc1N1CCOCC1	ZINC000852356490	CC	On-Demand	Mild	LIPA	89	53
C=CCN(Cc1cc(=O)oc2cc(O)ccc12)[C@H](C)COC	ZINC000852356491	DF	On-Demand	Mild	HSD17B3	39	54
C=CCN(Cc1cc(=O)oc2cc(O)ccc12)[C@@H](C)COC	ZINC000852356492	DF	On-Demand	Mild	HSD17B3	39	54
O=C(NCCCCCN1CCCC1)NCc1ncccn1	ZINC000852356495	CD	On-Demand	Anodyne	HTR1A	34	46
O=C(NCCCCCN1CCCC1)NCc1ncccn1	ZINC000852356495	CD	On-Demand	Anodyne	HRH2	25	42
O=C(NCCCCCN1CCCC1)NCc1ncccn1	ZINC000852356495	CD	On-Demand	Anodyne	HTR2A	22	44
O=C(NCCCCCN1CCCC1)NCc1ncccn1	ZINC000852356495	CD	On-Demand	Anodyne	DRD3	59	41
O=C(NCCCCCN1CCCC1)NCc1ncccn1	ZINC000852356495	CD	On-Demand	Anodyne	HRH3	27	45
O=C(NCCCCCN1CCCC1)NCc1ncccn1	ZINC000852356495	CD	On-Demand	Anodyne	CCR3	17	41
O=C(NCCCCCN1CCCC1)NCc1ncccn1	ZINC000852356495	CD	On-Demand	Anodyne	CHRNA7	19	54
O=C(NCCCCCN1CCCC1)NCc1ncccn1	ZINC000852356495	CD	On-Demand	Anodyne	HNMT	101	45
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)F)C2)cc1	ZINC000852356497	DE	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)F)C2)cc1	ZINC000852356497	DE	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)F)C2)cc1	ZINC000852356499	DE	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)F)C2)cc1	ZINC000852356499	DE	On-Demand	Clean	MTNR1B	16	47
C=CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@@H](C)COC	ZINC000852356504	DD	On-Demand	Reactive	KCNK3	53	36
C=CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@@H](C)COC	ZINC000852356504	DD	On-Demand	Reactive	KCNK9	42	36
C=CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@H](C)COC	ZINC000852356505	DD	On-Demand	Reactive	KCNK3	53	36
C=CCN(CC(=O)NNC(=O)c1cccc(C)c1)[C@H](C)COC	ZINC000852356505	DD	On-Demand	Reactive	KCNK9	42	36
CCCN(CC1CC1)C(=O)COc1nsnc1N1CCOCC1	ZINC000852356507	ED	On-Demand	Anodyne	LIPA	75	45
C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852356526	GF	On-Demand	Anodyne	EPHX2	24	41
C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852356526	GF	On-Demand	Anodyne	RBP4	42	37
Cc1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852356529	ED	On-Demand	Anodyne	PRKDC	25	40
Cc1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852356529	ED	On-Demand	Anodyne	MTOR	45	35
Cc1ccc(CNC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852356529	ED	On-Demand	Anodyne	LIPA	82	49
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356532	GH	On-Demand	Anodyne	DRD2	19	40
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356532	GH	On-Demand	Anodyne	HRH2	23	40
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356532	GH	On-Demand	Anodyne	DRD3	39	40
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356532	GH	On-Demand	Anodyne	TACR2	66	42
O=C(NCCCCCN1CCCC1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356532	GH	On-Demand	Anodyne	HNMT	46	37
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356533	GH	On-Demand	Anodyne	DRD2	19	40
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356533	GH	On-Demand	Anodyne	HRH2	23	40
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356533	GH	On-Demand	Anodyne	DRD3	39	40
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356533	GH	On-Demand	Anodyne	TACR2	66	42
O=C(NCCCCCN1CCCC1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852356533	GH	On-Demand	Anodyne	HNMT	46	37
COCCCNC(=O)COc1nsnc1N1CCOCC1	ZINC000852356536	DB	On-Demand	Anodyne	LIPA	84	50
C[C@H](NC(=O)NCCC1SCCS1)c1ccc(-n2cccn2)c(F)c1	ZINC000852356554	GH	On-Demand	Anodyne	AMP1_PLAFQ	42	33
C=CCN(CC(=O)Nc1cccnc1Cl)[C@H](C)COC	ZINC000852356561	CE	On-Demand	Mild	G2YM83_BOTF4	63	32
C=CCN(CC(=O)Nc1cccnc1Cl)[C@@H](C)COC	ZINC000852356562	CE	On-Demand	Mild	G2YM83_BOTF4	63	32
CC(C)c1cccc(C(C)C)c1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852356568	HH	On-Demand	Anodyne	SOAT1	51	39
CC(C)c1cccc(C(C)C)c1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852356568	HH	On-Demand	Anodyne	LIPA	81	48
O=C(NCCCCCN1CCCC1)N[C@H]1C=CCC1	ZINC000852356595	CE	On-Demand	Anodyne	CCR3	20	40
O=C(NCCCCCN1CCCC1)N[C@@H]1C=CCC1	ZINC000852356596	CE	On-Demand	Anodyne	CCR3	20	40
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	HTR1A	42	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	DRD2	47	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	DRD4	46	37
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	HRH2	32	42
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	HTR2A	27	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	DRD3	81	44
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	HTR4	40	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	HTR7	32	40
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	HRH3	41	39
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	CCR3	34	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	MTNR1A	26	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	MTNR1B	22	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	EPHX2	19	40
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	MCHR1	23	49
COc1ccc(N2CC[C@H](NC(=O)NCCCCCN3CCCC3)C2)cc1	ZINC000852356612	FF	On-Demand	Clean	EHMT2	71	35
COCCN(CCOC)C(=O)COc1nsnc1N1CCOCC1	ZINC000852356623	FB	On-Demand	Anodyne	LIPA	82	49
COCCN(CCF)C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1	ZINC000852356636	FF	On-Demand	Anodyne	AMP1_PLAFQ	50	33
O=C(NCc1ncccn1)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl	ZINC000852356650	FG	On-Demand	Anodyne	MTNR1B	18	40
N#CCCN(CCC#N)C(=O)COc1nsnc1N1CCOCC1	ZINC000852356676	FC	On-Demand	Mild	LIPA	80	48
C[C@@H](F)CCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852356687	GH	On-Demand	Anodyne	GPR119	31	43
C[C@@H](F)CCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852356689	GH	On-Demand	Anodyne	GPR119	31	43
C=CCN(CC=C)C(=O)COc1nsnc1N1CCOCC1	ZINC000852356693	DC	On-Demand	Mild	LIPA	83	50
C[C@@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852356698	ED	On-Demand	Anodyne	CPT1A	93	38
C[C@@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852356698	ED	On-Demand	Anodyne	CPT2	41	35
C[C@@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852356698	ED	On-Demand	Anodyne	LIPA	88	50
C[C@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852356699	ED	On-Demand	Anodyne	CPT1A	93	38
C[C@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852356699	ED	On-Demand	Anodyne	CPT2	41	35
C[C@H]1CCCCN1C(=O)COc1nsnc1N1CCOCC1	ZINC000852356699	ED	On-Demand	Anodyne	LIPA	88	50
COC[C@H](C)NC(=O)COc1nsnc1N1CCOCC1	ZINC000852356709	DB	On-Demand	Anodyne	LIPA	84	50
C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)COC	ZINC000852356727	CE	On-Demand	Mild	CACNA1C	43	38
C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)COC	ZINC000852356727	CE	On-Demand	Mild	CACNA1D	64	38
C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)COC	ZINC000852356728	CE	On-Demand	Mild	CACNA1C	43	38
C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)COC	ZINC000852356728	CE	On-Demand	Mild	CACNA1D	64	38
C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)COC	ZINC000852356729	CE	On-Demand	Mild	CACNA1C	43	38
C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)COC	ZINC000852356729	CE	On-Demand	Mild	CACNA1D	64	38
C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)COC	ZINC000852356730	CE	On-Demand	Mild	CACNA1C	43	38
C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)COC	ZINC000852356730	CE	On-Demand	Mild	CACNA1D	64	38
CC(=O)N1CCN(C(=O)COc2nsnc2N2CCOCC2)CC1	ZINC000852356745	FB	On-Demand	Anodyne	LIPA	94	56
C[C@@H](F)CCNC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852356777	FF	On-Demand	Anodyne	TPP2	44	33
C[C@@H](F)CCNC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852356778	FF	On-Demand	Anodyne	TPP2	44	33
CCOCCCNC(=O)COc1nsnc1N1CCOCC1	ZINC000852356801	EC	On-Demand	Anodyne	LIPA	81	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852356805	FG	On-Demand	Clean	SLC6A3	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852356805	FG	On-Demand	Clean	MTNR1A	25	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852356805	FG	On-Demand	Clean	MTNR1B	24	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852356805	FG	On-Demand	Clean	EPHX2	21	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3ccccc3)C2)cc1	ZINC000852356805	FG	On-Demand	Clean	MCHR1	17	40
C[C@H](NC(=O)NCC1SCCS1)c1ccc(-n2cccn2)c(F)c1	ZINC000852356806	FG	On-Demand	Anodyne	AMP1_PLAFQ	47	34
C=CCN(C[C@@H](O)c1cccnc1)[C@@H](C)COC	ZINC000852356813	CD	On-Demand	Mild	CYP51A1	16	40
C=CCN(C[C@H](O)c1cccnc1)[C@@H](C)COC	ZINC000852356814	CD	On-Demand	Mild	CYP51A1	16	40
C=CCN(C[C@H](O)c1cccnc1)[C@H](C)COC	ZINC000852356815	CD	On-Demand	Mild	CYP51A1	16	40
C=CCN(C[C@@H](O)c1cccnc1)[C@H](C)COC	ZINC000852356816	CD	On-Demand	Mild	CYP51A1	16	40
O=C(NCCCCCN1CCCC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852356874	ED	On-Demand	Anodyne	L3MBTL3	15	44
O=C(NCCCCCN1CCCC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852356875	ED	On-Demand	Anodyne	L3MBTL3	15	44
CC(C)(C)NC(=O)COc1nsnc1N1CCOCC1	ZINC000852356892	DC	On-Demand	Anodyne	LIPA	92	55
C=CCN(CCc1ccc(S(N)(=O)=O)cc1)[C@H](C)COC	ZINC000852356934	DD	On-Demand	Mild	CA2	55	45
C=CCN(CCc1ccc(S(N)(=O)=O)cc1)[C@H](C)COC	ZINC000852356934	DD	On-Demand	Mild	CA1	49	43
C=CCN(CCc1ccc(S(N)(=O)=O)cc1)[C@H](C)COC	ZINC000852356934	DD	On-Demand	Mild	CA4	38	45
C=CCN(CCc1ccc(S(N)(=O)=O)cc1)[C@H](C)COC	ZINC000852356934	DD	On-Demand	Mild	CA9	44	43
C=CCN(CCc1ccc(S(N)(=O)=O)cc1)[C@@H](C)COC	ZINC000852356935	DD	On-Demand	Mild	CA2	55	45
C=CCN(CCc1ccc(S(N)(=O)=O)cc1)[C@@H](C)COC	ZINC000852356935	DD	On-Demand	Mild	CA1	49	43
C=CCN(CCc1ccc(S(N)(=O)=O)cc1)[C@@H](C)COC	ZINC000852356935	DD	On-Demand	Mild	CA4	38	45
C=CCN(CCc1ccc(S(N)(=O)=O)cc1)[C@@H](C)COC	ZINC000852356935	DD	On-Demand	Mild	CA9	44	43
C=CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)COC	ZINC000852356945	GD	On-Demand	Mild	SSTR1	45	49
C=CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)COC	ZINC000852356946	GD	On-Demand	Mild	SSTR1	45	49
CCCCNC(=O)COc1nsnc1N1CCOCC1	ZINC000852356961	DC	On-Demand	Anodyne	LIPA	87	52
C=CCN(Cc1cc(=O)oc2cc(OC)ccc12)[C@H](C)COC	ZINC000852356967	DF	On-Demand	Mild	MAOB	32	41
C=CCN(Cc1cc(=O)oc2cc(OC)ccc12)[C@@H](C)COC	ZINC000852356968	DF	On-Demand	Mild	MAOB	32	41
COC(=O)c1c(NC(=O)COc2nsnc2N2CCOCC2)sc(C)c1C	ZINC000852356984	HD	On-Demand	Anodyne	LIPA	77	46
C=CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)[C@H](C)COC	ZINC000852356987	EC	On-Demand	Reactive	CTRB_BOVIN	45	32
C=CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)[C@@H](C)COC	ZINC000852356988	EC	On-Demand	Reactive	CTRB_BOVIN	45	32
C=C(C)CN(CC)C(=O)COc1nsnc1N1CCOCC1	ZINC000852356995	ED	On-Demand	Mild	LIPA	79	47
CC[C@H](C)NC(=O)COc1nsnc1N1CCOCC1	ZINC000852357000	DC	On-Demand	Anodyne	LIPA	89	53
C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@@H](C)COC	ZINC000852357001	GG	On-Demand	Mild	KCNK3	47	34
C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@@H](C)COC	ZINC000852357001	GG	On-Demand	Mild	KCNK9	40	34
C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@H](C)COC	ZINC000852357002	GG	On-Demand	Mild	KCNK3	47	34
C=CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)[C@H](C)COC	ZINC000852357002	GG	On-Demand	Mild	KCNK9	40	34
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852357005	GF	On-Demand	Clean	HTR1A	40	44
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852357005	GF	On-Demand	Clean	DRD2	33	44
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852357005	GF	On-Demand	Clean	HRH2	21	42
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852357005	GF	On-Demand	Clean	DRD3	49	40
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852357005	GF	On-Demand	Clean	HRH3	22	42
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852357005	GF	On-Demand	Clean	CCR3	29	50
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852357005	GF	On-Demand	Clean	HNMT	47	35
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852357005	GF	On-Demand	Clean	L3MBTL3	44	46
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852357015	GF	On-Demand	Anodyne	HRH2	16	40
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852357015	GF	On-Demand	Anodyne	CCR3	20	45
O=C(NCCCCCN1CCCC1)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852357015	GF	On-Demand	Anodyne	HNMT	42	34
C[C@@H]1CCCC[C@@H]1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852357018	ED	On-Demand	Anodyne	LIPA	88	50
C[C@@H]1CCCC[C@H]1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852357021	ED	On-Demand	Anodyne	LIPA	88	50
O=C(NCCCCCN1CCCC1)NNc1ccc(Cl)cn1	ZINC000852357034	EF	On-Demand	Reactive	DRD2	33	42
O=C(NCCCCCN1CCCC1)NNc1ccc(Cl)cn1	ZINC000852357034	EF	On-Demand	Reactive	DRD3	56	40
O=C(NCCCCCN1CCCC1)NNc1ccc(Cl)cn1	ZINC000852357034	EF	On-Demand	Reactive	HRP1_PLAFA	43	38
O=C(NCCCCCN1CCCC1)NNc1ccc(Cl)cn1	ZINC000852357034	EF	On-Demand	Reactive	HRH3	21	47
O=C(NCCCCCN1CCCC1)NNc1ccc(Cl)cn1	ZINC000852357034	EF	On-Demand	Reactive	CHRNA7	18	54
O=C(NCCCCCN1CCCC1)NNc1ccc(Cl)cn1	ZINC000852357034	EF	On-Demand	Reactive	HNMT	62	43
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852357052	JE	On-Demand	Anodyne	RAF1	15	44
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852357052	JE	On-Demand	Anodyne	LIPA	67	40
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852357052	JE	On-Demand	Anodyne	TEK	15	41
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852357052	JE	On-Demand	Anodyne	SCD1	15	40
C=CCN(C[C@@](O)(C(N)=O)c1ccccc1)[C@@H](C)COC	ZINC000852357105	CC	On-Demand	Mild	AMY2	55	34
COc1ccc(N2CC[C@H](NC(=O)NCCC3(OC)CCC3)C2)cc1	ZINC000852357134	EF	On-Demand	Clean	MTNR1A	17	44
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(F)F)C2)cc1	ZINC000852357155	DE	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(F)F)C2)cc1	ZINC000852357155	DE	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(F)F)C2)cc1	ZINC000852357155	DE	On-Demand	Clean	EPHX2	40	40
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(F)F)C2)cc1	ZINC000852357155	DE	On-Demand	Clean	MCHR1	15	43
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1ccc(-n2cccn2)c(F)c1	ZINC000852357184	GF	On-Demand	Anodyne	AMP1_PLAFQ	41	32
C=CCN(C[C@@](O)(C(N)=O)c1ccccc1)[C@H](C)COC	ZINC000852357187	CC	On-Demand	Mild	AMY2	55	34
C=CCN(C[C@](O)(C(N)=O)c1ccccc1)[C@H](C)COC	ZINC000852357188	CC	On-Demand	Mild	AMY2	55	34
C=CCN(C[C@](O)(C(N)=O)c1ccccc1)[C@@H](C)COC	ZINC000852357189	CC	On-Demand	Mild	AMY2	55	34
C[C@@H](F)CCNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852357207	GF	On-Demand	Anodyne	EPHX2	24	40
C=CCN(C[C@@H](O)c1ccccc1)[C@@H](C)COC	ZINC000852357232	BE	On-Demand	Mild	AOC3	18	43
C=CCN(C[C@H](O)c1ccccc1)[C@H](C)COC	ZINC000852357233	BE	On-Demand	Mild	AOC3	18	43
C=CCN(C[C@@H](O)c1ccccc1)[C@H](C)COC	ZINC000852357234	BE	On-Demand	Mild	AOC3	18	43
C=CCN(C[C@H](O)c1ccccc1)[C@@H](C)COC	ZINC000852357235	BE	On-Demand	Mild	AOC3	18	43
O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852357242	EE	On-Demand	Anodyne	SMO	38	40
O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852357243	EE	On-Demand	Anodyne	SMO	38	40
C=CCN(CC(=O)NOCc1ccccc1)[C@@H](C)COC	ZINC000852357268	CD	On-Demand	Mild	CAPN1	41	38
C=CCN(CC(=O)NOCc1ccccc1)[C@@H](C)COC	ZINC000852357268	CD	On-Demand	Mild	CAPN2	48	34
C=CCN(CC(=O)NOCc1ccccc1)[C@@H](C)COC	ZINC000852357268	CD	On-Demand	Mild	NPR	49	33
C=CCN(CC(=O)NOCc1ccccc1)[C@H](C)COC	ZINC000852357269	CD	On-Demand	Mild	CAPN1	41	38
C=CCN(CC(=O)NOCc1ccccc1)[C@H](C)COC	ZINC000852357269	CD	On-Demand	Mild	CAPN2	48	34
C=CCN(CC(=O)NOCc1ccccc1)[C@H](C)COC	ZINC000852357269	CD	On-Demand	Mild	NPR	49	33
O=C(COc1nsnc1N1CCOCC1)NCCc1ccc(Cl)cc1	ZINC000852357327	GD	On-Demand	Anodyne	LIPA	80	47
O=C(COc1nsnc1N1CCOCC1)NCCc1ccc(Cl)cc1	ZINC000852357327	GD	On-Demand	Anodyne	SCN10A	23	46
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1-c1ccccc1	ZINC000852357344	GG	On-Demand	Anodyne	PRKDC	86	40
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1-c1ccccc1	ZINC000852357344	GG	On-Demand	Anodyne	PIK3CA	45	35
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1-c1ccccc1	ZINC000852357344	GG	On-Demand	Anodyne	MTOR	47	35
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1-c1ccccc1	ZINC000852357344	GG	On-Demand	Anodyne	LIPA	80	47
O=C(COc1nsnc1N1CCOCC1)NCCC1=CCCCC1	ZINC000852357369	FD	On-Demand	Anodyne	LIPA	81	46
C[C@@H](NC(=O)NCCC1SCCS1)c1ccc(-n2cccn2)c(F)c1	ZINC000852357374	GH	On-Demand	Anodyne	AMP1_PLAFQ	42	33
O=C(COc1nsnc1N1CCOCC1)NCc1cccc(Cl)c1	ZINC000852357384	FD	On-Demand	Anodyne	PRKDC	35	40
O=C(COc1nsnc1N1CCOCC1)NCc1cccc(Cl)c1	ZINC000852357384	FD	On-Demand	Anodyne	LIPA	78	47
O=C(COc1nsnc1N1CCOCC1)NCc1cccc(Cl)c1	ZINC000852357384	FD	On-Demand	Anodyne	SCN10A	18	40
O=C(COc1nsnc1N1CCOCC1)NCc1cccc(Cl)c1	ZINC000852357384	FD	On-Demand	Anodyne	PIK3CB	18	42
O=C(COc1nsnc1N1CCOCC1)NCc1cccc(Cl)c1	ZINC000852357384	FD	On-Demand	Anodyne	STAT6	19	45
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N(C)C	ZINC000852357508	IC	On-Demand	Anodyne	LIPA	69	41
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N(C)C	ZINC000852357508	IC	On-Demand	Anodyne	MCHR1	15	40
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1S(=O)(=O)N(C)C	ZINC000852357508	IC	On-Demand	Anodyne	EPHB4	45	33
Cn1ncc(CCCNC(=O)NCC2CCN(CC3CC3)CC2)n1	ZINC000852357513	ED	On-Demand	Anodyne	CACNA1I	55	35
Cn1ncc(CCCNC(=O)NCCc2cn(C)c3ccccc23)n1	ZINC000852357521	ED	On-Demand	Anodyne	MTNR1A	16	40
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(I)c1	ZINC000852357529	ID	On-Demand	Anodyne	PRKDC	42	36
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(I)c1	ZINC000852357529	ID	On-Demand	Anodyne	LIPA	81	48
O=C(COc1nsnc1N1CCOCC1)NCCc1ccc(Cl)cc1Cl	ZINC000852357535	HE	On-Demand	Anodyne	LIPA	75	44
O=C(COc1nsnc1N1CCOCC1)NCCc1ccc(Cl)cc1Cl	ZINC000852357535	HE	On-Demand	Anodyne	EPHX2	16	43
O=C(COc1nsnc1N1CCOCC1)NCCc1ccc(Cl)cc1Cl	ZINC000852357535	HE	On-Demand	Anodyne	SCN10A	24	42
COCCN(CCF)C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1	ZINC000852357551	FF	On-Demand	Anodyne	AMP1_PLAFQ	50	33
CC(=O)Nc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852357561	GD	On-Demand	Anodyne	PIK3CA	41	41
CC(=O)Nc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852357561	GD	On-Demand	Anodyne	PIK3CD	23	41
CC(=O)Nc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852357561	GD	On-Demand	Anodyne	MTOR	43	37
CC(=O)Nc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852357561	GD	On-Demand	Anodyne	LIPA	81	48
CC(=O)Nc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852357561	GD	On-Demand	Anodyne	PIK3CB	30	41
CC(=O)Nc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852357561	GD	On-Demand	Anodyne	MCHR1	19	43
CC(=O)Nc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852357561	GD	On-Demand	Anodyne	PIK3C2B	21	41
Cn1ncc(CCCNC(=O)NCc2ccc(Cl)c(Cl)c2)n1	ZINC000852357569	EF	On-Demand	Anodyne	SSTR4	16	43
Cn1ncc(CCCNC(=O)NCc2ccc(Cl)c(Cl)c2)n1	ZINC000852357569	EF	On-Demand	Anodyne	DNAE	77	34
Cn1ncc(CCCNC(=O)NCc2ccc(Cl)c(Cl)c2)n1	ZINC000852357569	EF	On-Demand	Anodyne	RPA1	40	31
COC1(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CCC1	ZINC000852357574	FG	On-Demand	Anodyne	ADRB1	18	46
COC1(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CCC1	ZINC000852357575	FG	On-Demand	Anodyne	ADRB1	18	46
C#CCN(C)CCCNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852357599	FF	On-Demand	Mild	P2RY14	43	35
COc1ccc(N2CC[C@H](NC(=O)NCc3c(F)cc(F)cc3F)C2)cc1	ZINC000852357610	GG	On-Demand	Clean	CCR3	36	41
COc1ccc(N2CC[C@H](NC(=O)NCc3c(F)cc(F)cc3F)C2)cc1	ZINC000852357610	GG	On-Demand	Clean	MTNR1A	17	47
COc1ccc(N2CC[C@H](NC(=O)NCc3c(F)cc(F)cc3F)C2)cc1	ZINC000852357610	GG	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NCc3c(F)cc(F)cc3F)C2)cc1	ZINC000852357610	GG	On-Demand	Clean	MCHR1	20	46
C=CCN(Cc1nc2ccccc2[nH]1)[C@H](C)COC	ZINC000852357667	CF	On-Demand	Mild	CXCR4	32	44
C=CCN(Cc1nc2ccccc2[nH]1)[C@@H](C)COC	ZINC000852357668	CF	On-Demand	Mild	CXCR4	32	44
CCOC(=O)c1c(NC(=O)COc2nsnc2N2CCOCC2)sc2c1CCCC2	ZINC000852357743	JF	On-Demand	Anodyne	LIPA	72	41
C[C@@H](NC(=O)NCC1SCCS1)c1ccc(-n2cccn2)c(F)c1	ZINC000852357763	FG	On-Demand	Anodyne	AMP1_PLAFQ	47	34
Cn1ncc(CCCNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)n1	ZINC000852357765	GD	On-Demand	Anodyne	SSTR3	29	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OC(F)F)cc1	ZINC000852357771	GD	On-Demand	Anodyne	MTOR	51	35
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OC(F)F)cc1	ZINC000852357771	GD	On-Demand	Anodyne	LIPA	77	46
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(OC(F)F)cc1	ZINC000852357771	GD	On-Demand	Anodyne	STAT6	42	31
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1Cc1ccccc1	ZINC000852357777	HF	On-Demand	Anodyne	MTOR	40	36
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1Cc1ccccc1	ZINC000852357777	HF	On-Demand	Anodyne	LIPA	82	48
C#CCN(C)CCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852357809	EC	On-Demand	Mild	PYGL	33	45
C#CCN(C)CCCNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852357809	EC	On-Demand	Mild	PYGM	29	45
C#CCN(C)CCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852357810	EC	On-Demand	Mild	PYGL	33	45
C#CCN(C)CCCNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852357810	EC	On-Demand	Mild	PYGM	29	45
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1c(F)cc(F)cc1F	ZINC000852357855	EF	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1c(F)cc(F)cc1F	ZINC000852357856	EF	On-Demand	Anodyne	CACNA1I	46	33
O=C(NCc1cccc(OC2CC2)c1F)NCc1c(F)cc(F)cc1F	ZINC000852357863	FH	On-Demand	Anodyne	EPHX2	18	42
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1F	ZINC000852357888	FD	On-Demand	Anodyne	MAPK14	18	41
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1F	ZINC000852357888	FD	On-Demand	Anodyne	PIK3CD	18	44
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1F	ZINC000852357888	FD	On-Demand	Anodyne	MTOR	47	35
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1F	ZINC000852357888	FD	On-Demand	Anodyne	LIPA	76	45
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1F	ZINC000852357888	FD	On-Demand	Anodyne	EPHX2	19	40
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1F	ZINC000852357888	FD	On-Demand	Anodyne	PIK3CB	23	44
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1F	ZINC000852357888	FD	On-Demand	Anodyne	MCHR1	18	45
Cc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1F	ZINC000852357888	FD	On-Demand	Anodyne	STAT6	50	33
COc1ccc([C@@H]2CCCN2C(=O)NCCCc2cnn(C)n2)cc1F	ZINC000852357890	FE	On-Demand	Anodyne	ADRA1A	50	39
Cn1ncc(CCCNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852357901	FF	On-Demand	Anodyne	KCNH2	39	41
CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1	ZINC000852357914	JE	On-Demand	Anodyne	P2RY12	84	36
CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1	ZINC000852357915	JE	On-Demand	Anodyne	P2RY12	84	36
O=C(NCc1cccnc1N1CCCC1)NCc1c(F)cc(F)cc1F	ZINC000852357928	FG	On-Demand	Anodyne	SCN2A	21	50
O=C(NCc1cccnc1N1CCCC1)NCc1c(F)cc(F)cc1F	ZINC000852357928	FG	On-Demand	Anodyne	SCN10A	29	50
COc1ccc(N2CC[C@H](NC(=O)NCCc3nccnc3C)C2)cc1	ZINC000852357933	FD	On-Demand	Clean	MTNR1A	21	43
O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1OC(F)F	ZINC000852357941	GD	On-Demand	Anodyne	LIPA	76	45
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852357960	JE	On-Demand	Anodyne	LIPA	76	45
COc1cccc([C@]2(C)CCN(C(=O)NCCCc3cnn(C)n3)C2)c1	ZINC000852357973	FE	On-Demand	Anodyne	DRD4	42	32
COC1(CCNC(=O)NNc2ccc(Cl)cn2)CCC1	ZINC000852358004	CE	On-Demand	Reactive	F10	48	32
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1Cl	ZINC000852358007	HE	On-Demand	Anodyne	MC4R	31	41
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1Cl	ZINC000852358007	HE	On-Demand	Anodyne	P2RX7	63	44
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1Cl	ZINC000852358007	HE	On-Demand	Anodyne	LIPA	77	46
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1Cl	ZINC000852358007	HE	On-Demand	Anodyne	EPHX2	23	48
O=C(COc1nsnc1N1CCOCC1)NCc1ccc(Cl)cc1Cl	ZINC000852358007	HE	On-Demand	Anodyne	SCN10A	30	43
CCC(CC)(CNC(=O)NCCCc1cnn(C)n1)c1ccc(F)cc1	ZINC000852358011	FF	On-Demand	Anodyne	CACNA1G	36	41
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	PIK3CA	71	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	PRNP	48	37
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	PIK3CD	17	42
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	MTOR	108	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	LIPA	82	49
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	PIK3CG	43	45
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	PIK3CB	22	42
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	STAT6	45	36
O=C(COc1nsnc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852358028	GG	On-Demand	Anodyne	DGAT1	40	41
COc1ccc([C@@H]2CCCN2C(=O)NCc2c(F)cc(F)cc2F)cc1F	ZINC000852358081	GI	On-Demand	Anodyne	ACKR3	46	34
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1c(F)cc(F)cc1F	ZINC000852358100	GG	On-Demand	Clean	CCR3	27	42
Cc1ccncc1CCNC(=O)NCc1c(F)cc(F)cc1F	ZINC000852358118	DF	On-Demand	Anodyne	P2RX7	21	41
C#CCN(C)CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852358199	FD	On-Demand	Mild	ACHE	25	43
C#CCN(C)CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852358199	FD	On-Demand	Mild	SSTR5	42	33
C#CCN(C)CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852358199	FD	On-Demand	Mild	CACNA1I	57	39
O=C(COc1nsnc1N1CCOCC1)NCCC(c1ccccc1)c1ccccc1	ZINC000852358260	IG	On-Demand	Anodyne	CASR	56	41
O=C(COc1nsnc1N1CCOCC1)NCCC(c1ccccc1)c1ccccc1	ZINC000852358260	IG	On-Demand	Anodyne	LIPA	80	47
Cc1c(NC(=O)COc2nsnc2N2CCOCC2)cccc1[N+](=O)[O-]	ZINC000852358286	GD	On-Demand	Bother	LIPA	72	43
C=CCN(CC(=O)Nc1ccc2nc(O)[nH]c2c1)[C@H](C)COC	ZINC000852358289	DD	On-Demand	Mild	ENPP1	45	33
C=CCN(CC(=O)Nc1ccc2nc(O)[nH]c2c1)[C@@H](C)COC	ZINC000852358290	DD	On-Demand	Mild	ENPP1	45	33
C=CCN(CC(=O)OCc1ccccc1)[C@@H](C)COC	ZINC000852358307	CE	On-Demand	Mild	CAPNS1	47	31
C=CCN(CC(=O)OCc1ccccc1)[C@@H](C)COC	ZINC000852358307	CE	On-Demand	Mild	CAPN1	44	36
C=CCN(CC(=O)OCc1ccccc1)[C@@H](C)COC	ZINC000852358307	CE	On-Demand	Mild	CAPN2	63	33
C=CCN(CC(=O)OCc1ccccc1)[C@@H](C)COC	ZINC000852358307	CE	On-Demand	Mild	NPR	59	33
C=CCN(CC(=O)OCc1ccccc1)[C@@H](C)COC	ZINC000852358307	CE	On-Demand	Mild	Q6PRC7_IXORI	41	33
C=CCN(CC(=O)OCc1ccccc1)[C@H](C)COC	ZINC000852358308	CE	On-Demand	Mild	CAPNS1	47	31
C=CCN(CC(=O)OCc1ccccc1)[C@H](C)COC	ZINC000852358308	CE	On-Demand	Mild	CAPN1	44	36
C=CCN(CC(=O)OCc1ccccc1)[C@H](C)COC	ZINC000852358308	CE	On-Demand	Mild	CAPN2	63	33
C=CCN(CC(=O)OCc1ccccc1)[C@H](C)COC	ZINC000852358308	CE	On-Demand	Mild	NPR	59	33
C=CCN(CC(=O)OCc1ccccc1)[C@H](C)COC	ZINC000852358308	CE	On-Demand	Mild	Q6PRC7_IXORI	41	33
Cn1ncc(CCCNC(=O)N2CCc3nc(-c4ccccc4)sc3C2)n1	ZINC000852358426	GF	On-Demand	Anodyne	P2RY14	40	33
O=C(COc1nsnc1N1CCOCC1)N[C@H]1CCCc2ccccc21	ZINC000852358429	FD	On-Demand	Anodyne	BDKRB1	41	38
O=C(COc1nsnc1N1CCOCC1)N[C@H]1CCCc2ccccc21	ZINC000852358429	FD	On-Demand	Anodyne	LIPA	78	44
O=C(COc1nsnc1N1CCOCC1)N[C@@H]1CCCc2ccccc21	ZINC000852358430	FD	On-Demand	Anodyne	BDKRB1	41	38
O=C(COc1nsnc1N1CCOCC1)N[C@@H]1CCCc2ccccc21	ZINC000852358430	FD	On-Demand	Anodyne	LIPA	78	44
Cn1ncc(CCCNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852358434	FE	On-Demand	Anodyne	SCD1	16	41
C#CCN(C)CCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852358519	ED	On-Demand	Mild	SCN2A	17	41
C#CCN(C)CCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852358519	ED	On-Demand	Mild	SCN10A	18	43
C=CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)COC	ZINC000852358539	FC	On-Demand	Reactive	CACNA1C	52	38
C=CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)COC	ZINC000852358539	FC	On-Demand	Reactive	CACNA1D	84	38
C=CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)COC	ZINC000852358540	FC	On-Demand	Reactive	CACNA1C	52	38
C=CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)COC	ZINC000852358540	FC	On-Demand	Reactive	CACNA1D	84	38
C=CCN(CCOc1ccc2c(C)cc(=O)oc2c1)[C@@H](C)COC	ZINC000852358631	EG	On-Demand	Mild	MAOA	62	44
C=CCN(CCOc1ccc2c(C)cc(=O)oc2c1)[C@@H](C)COC	ZINC000852358631	EG	On-Demand	Mild	MAOB	50	50
C=CCN(CCOc1ccc2c(C)cc(=O)oc2c1)[C@H](C)COC	ZINC000852358632	EG	On-Demand	Mild	MAOA	62	44
C=CCN(CCOc1ccc2c(C)cc(=O)oc2c1)[C@H](C)COC	ZINC000852358632	EG	On-Demand	Mild	MAOB	50	50
C=CCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H](C)COC	ZINC000852358640	FE	On-Demand	Mild	PRNP	43	45
C=CCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H](C)COC	ZINC000852358641	FE	On-Demand	Mild	PRNP	43	45
C[C@H](NC(=O)c1ccccc1NC(=O)COc1nsnc1N1CCOCC1)c1ccccc1	ZINC000852358757	JF	On-Demand	Anodyne	LIPA	69	41
C[C@@H](NC(=O)c1ccccc1NC(=O)COc1nsnc1N1CCOCC1)c1ccccc1	ZINC000852358758	JF	On-Demand	Anodyne	LIPA	69	41
COc1ccc(N2CC[C@H](NC(=O)NCCCC(C)(F)F)C2)cc1	ZINC000852358784	EG	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCCCC(C)(F)F)C2)cc1	ZINC000852358784	EG	On-Demand	Clean	MTNR1B	17	45
C[C@H](NC(=O)NCCCC1CCC1)c1ccc([N+](=O)[O-])cc1	ZINC000852358804	DH	On-Demand	Bother	SLC27A4	42	31
C[C@H]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)O1	ZINC000852358809	DF	On-Demand	Bother	SLC27A4	42	31
C[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1	ZINC000852358811	DF	On-Demand	Bother	SLC27A4	42	31
C[C@H](NC(=O)NCC1(CC(N)=O)CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000852358821	FF	On-Demand	Bother	NMBR	54	32
COCc1csc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1	ZINC000852358903	EG	On-Demand	Bother	CACNA1D	45	34
CC[C@@H](NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000852358953	CG	On-Demand	Bother	SLC27A4	42	30
CCOC(=O)c1c(C2CC2)csc1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852358985	IF	On-Demand	Anodyne	LIPA	67	40
O=C(COc1nsnc1N1CCOCC1)NCC(F)(F)F	ZINC000852358994	EC	On-Demand	Anodyne	LIPA	89	53
COC(=O)c1cc(NC(=O)COc2nsnc2N2CCOCC2)cc(C(=O)OC)c1	ZINC000852359020	IC	On-Demand	Anodyne	MTOR	40	38
COC(=O)c1cc(NC(=O)COc2nsnc2N2CCOCC2)cc(C(=O)OC)c1	ZINC000852359020	IC	On-Demand	Anodyne	LIPA	80	47
CCO[C@@H]1C[C@@H](NC(=O)N2CCC(NC(=O)OC)CC2)[C@@H]1n1cccn1	ZINC000852359022	FD	On-Demand	Anodyne	EPHX2	15	42
CCO[C@@H]1C[C@@H](NC(=O)N2CCC(NC(=O)OC)CC2)[C@H]1n1cccn1	ZINC000852359024	FD	On-Demand	Anodyne	EPHX2	15	42
CCO[C@@H]1C[C@H](NC(=O)N2CCC(NC(=O)OC)CC2)[C@H]1n1cccn1	ZINC000852359026	FD	On-Demand	Anodyne	EPHX2	15	42
CCO[C@@H]1C[C@H](NC(=O)N2CCC(NC(=O)OC)CC2)[C@@H]1n1cccn1	ZINC000852359028	FD	On-Demand	Anodyne	EPHX2	15	42
COC(=O)c1ccc(CCNC(=O)NCCN(C)C(=O)OC)c(OC)c1	ZINC000852359034	FD	On-Demand	Anodyne	NQO2	26	42
C[C@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000852359049	EG	On-Demand	Mild	NMBR	54	33
O=C(COc1nsnc1N1CCOCC1)N[C@@H]1CCS(=O)(=O)C1	ZINC000852359081	FB	On-Demand	Anodyne	LIPA	81	48
O=C(COc1nsnc1N1CCOCC1)N[C@H]1CCS(=O)(=O)C1	ZINC000852359082	FB	On-Demand	Anodyne	LIPA	81	48
C#CCN(C)CCCNC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852359089	EE	On-Demand	Mild	MAOA	16	43
CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1	ZINC000852359095	GG	On-Demand	Anodyne	P2RY12	66	38
CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1	ZINC000852359095	GG	On-Demand	Anodyne	MC4R	74	42
CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1	ZINC000852359095	GG	On-Demand	Anodyne	CCR1	42	38
CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1	ZINC000852359096	GG	On-Demand	Anodyne	P2RY12	66	38
CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1	ZINC000852359096	GG	On-Demand	Anodyne	MC4R	74	42
CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1	ZINC000852359096	GG	On-Demand	Anodyne	CCR1	42	38
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000852359139	GG	On-Demand	Bother	ACHE	20	46
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000852359139	GG	On-Demand	Bother	HTR4	38	41
C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000852359139	GG	On-Demand	Bother	CACNA1I	62	39
C[C@H](NC(=O)NCC1(C(=O)OC(C)(C)C)CCC1)c1ccc([N+](=O)[O-])cc1	ZINC000852359184	GG	On-Demand	Bother	NMBR	53	32
O=C(COc1nsnc1N1CCOCC1)NCC12CC3CC(CC(C3)C1)C2	ZINC000852359210	GE	On-Demand	Anodyne	LIPA	82	49
COc1cccc(OC)c1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000852359225	FG	On-Demand	Bother	CACNA1C	55	37
COc1cccc(OC)c1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000852359225	FG	On-Demand	Bother	CACNA1D	86	37
O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ncccn1	ZINC000852359226	FD	On-Demand	Anodyne	NAMPT	37	45
COC(=O)c1ccc(CCNC(=O)N(C)CCN(C)C(=O)OC)c(OC)c1	ZINC000852359290	GD	On-Demand	Anodyne	NQO2	21	42
COC(=O)c1ccc(CCNC(=O)N[C@H]2C=CCC2)c(OC)c1	ZINC000852359326	DE	On-Demand	Anodyne	NQO2	15	42
COC(=O)c1ccc(CCNC(=O)N[C@@H]2C=CCC2)c(OC)c1	ZINC000852359327	DE	On-Demand	Anodyne	NQO2	15	42
O=C(COc1nsnc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852359338	JC	On-Demand	Anodyne	LIPA	75	44
O=C(COc1nsnc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852359338	JC	On-Demand	Anodyne	TGM2	50	33
O=C(COc1nsnc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000852359338	JC	On-Demand	Anodyne	F13A1	49	33
C#CCN(C)CCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852359392	FF	On-Demand	Mild	SCD1	15	40
C#CCN(C)CCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852359392	FF	On-Demand	Mild	SCD	22	40
C#CCN(C)CCCNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852359392	FF	On-Demand	Mild	TRPM8	15	48
C[C@H](NC(=O)NC[C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000852359405	DF	On-Demand	Bother	SLC27A4	42	30
C[C@H](NC(=O)NC[C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000852359408	DF	On-Demand	Bother	SLC27A4	42	30
C#CCN(C)CCCNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852359429	EE	On-Demand	Mild	DRD4	41	32
C#CCN(C)CCCNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852359433	EE	On-Demand	Mild	DRD4	41	32
C#CCN(C)CCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852359446	DE	On-Demand	Mild	MTNR1A	28	40
C#CCN(C)CCCNC(=O)NCCc1ccnc2ccccc12	ZINC000852359446	DE	On-Demand	Mild	MTNR1B	23	40
C[C@@H](NC(=O)N1CC[C@@H](N2CCOC2=O)C1)c1cccc(C2CC2)c1	ZINC000852359458	EF	On-Demand	Anodyne	BIRC8	46	35
C[C@@H](NC(=O)N1CC[C@H](N2CCOC2=O)C1)c1cccc(C2CC2)c1	ZINC000852359461	EF	On-Demand	Anodyne	BIRC8	46	35
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CSc4ccccc43)C2)cc1	ZINC000852359479	GG	On-Demand	Clean	MTNR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CSc4ccccc43)C2)cc1	ZINC000852359479	GG	On-Demand	Clean	MTNR1B	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CSc4ccccc43)C2)cc1	ZINC000852359481	GG	On-Demand	Clean	MTNR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CSc4ccccc43)C2)cc1	ZINC000852359481	GG	On-Demand	Clean	MTNR1B	17	43
O=C(COC(=O)CCCOc1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852359495	GG	On-Demand	Anodyne	LTA4H	40	36
O=C(COC(=O)CCCOc1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852359495	GG	On-Demand	Anodyne	MCHR1	18	40
O=C(COC(=O)CCCOc1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852359495	GG	On-Demand	Anodyne	DGAT1	42	43
CNC(=O)CC1(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCCC1	ZINC000852359496	GG	On-Demand	Bother	NMBR	53	32
COc1ccc(N2CC[C@H](NC(=O)NCCCC3CCOCC3)C2)cc1	ZINC000852359529	FF	On-Demand	Clean	MTNR1A	17	44
COc1ccc(N2CC[C@H](NC(=O)NCCCC3CCOCC3)C2)cc1	ZINC000852359529	FF	On-Demand	Clean	MTNR1B	16	44
COc1ccc(N2CC[C@H](NC(=O)NCCCC3CCOCC3)C2)cc1	ZINC000852359529	FF	On-Demand	Clean	PDK1	45	33
C[C@H](NC(=O)NCC1(S(C)(=O)=O)CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000852359611	GF	On-Demand	Bother	NMBR	54	32
C[C@H](NC(=O)NCC1CCN(C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000852359687	GF	On-Demand	Bother	SLC27A4	42	31
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000852359692	DF	On-Demand	Bother	SLC27A4	43	34
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2c(c1)CCC2	ZINC000852359760	FD	On-Demand	Anodyne	LIPA	81	46
COC(=O)c1ccc(CCNC(=O)NCc2ncccn2)c(OC)c1	ZINC000852359777	ED	On-Demand	Anodyne	NQO2	28	42
O=C(COc1nsnc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852359782	JC	On-Demand	Anodyne	LIPA	78	47
O=C(COc1nsnc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852359782	JC	On-Demand	Anodyne	F13A1	43	36
COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCCC3)C2)cc1	ZINC000852359784	EF	On-Demand	Clean	MTNR1A	20	46
COc1ccc(N2CC[C@H](NC(=O)NCC3(OC)CCCC3)C2)cc1	ZINC000852359784	EF	On-Demand	Clean	MTNR1B	20	46
C[C@@H](NC(=O)N1CCC2=C(CCC(=O)N2)C1)c1cccc(C2CC2)c1	ZINC000852359809	EG	On-Demand	Anodyne	CACNA1H	22	42
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000852359817	FG	On-Demand	Bother	CACNA1I	56	35
C=CCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H](C)COC	ZINC000852359823	GE	On-Demand	Mild	NPY2R	48	33
C=CCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H](C)COC	ZINC000852359823	GE	On-Demand	Mild	SLC6A9	20	46
C=CCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H](C)COC	ZINC000852359825	GE	On-Demand	Mild	NPY2R	48	33
C=CCN(CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H](C)COC	ZINC000852359825	GE	On-Demand	Mild	SLC6A9	20	46
COC(=O)c1ccc(CCNC(=O)NCCC2SCCS2)c(OC)c1	ZINC000852359871	GF	On-Demand	Anodyne	NQO2	19	41
COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(F)F)C2)cc1	ZINC000852359872	EF	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(F)F)C2)cc1	ZINC000852359872	EF	On-Demand	Clean	MCHR1	15	46
C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1	ZINC000852359935	GI	On-Demand	Bother	CHRM1	15	52
C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc([N+](=O)[O-])cc1	ZINC000852359935	GI	On-Demand	Bother	GLRA1	44	34
C#CCN(C)CCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852359948	FD	On-Demand	Mild	SSTR3	27	42
C#CCN(C)CCCNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852359953	EF	On-Demand	Mild	ADRA1A	41	37
C#CCN(C)CCCNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852359954	EF	On-Demand	Mild	ADRA1A	41	37
C#CCN(C)CCCNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852359955	EF	On-Demand	Mild	DNAE	63	32
COC(=O)c1ccc(CCNC(=O)NCC2SCCS2)c(OC)c1	ZINC000852359998	FE	On-Demand	Anodyne	NQO2	19	42
C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1CC2CC1(c1ccccc1)C2	ZINC000852360077	GI	On-Demand	Anodyne	FPR1	40	36
C#CCN(C)CCCNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852360093	DD	On-Demand	Mild	DRD4	41	32
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N[C@H](CO)c3ccc(F)cc3F)[C@H]2C1	ZINC000852360134	GE	On-Demand	Anodyne	GPR119	18	42
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N[C@@H](CO)c3ccc(F)cc3F)[C@H]2C1	ZINC000852360135	GE	On-Demand	Anodyne	GPR119	18	42
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@@H]3c3ccc(F)cc3)[C@H]2C1	ZINC000852360143	GG	On-Demand	Anodyne	GPR119	30	42
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@H]3c3ccc(F)cc3)[C@H]2C1	ZINC000852360144	GG	On-Demand	Anodyne	GPR119	30	42
COC(=O)c1ccc(C)c(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852360199	GD	On-Demand	Anodyne	MAPK14	21	40
COC(=O)c1ccc(C)c(NC(=O)COc2nsnc2N2CCOCC2)c1	ZINC000852360199	GD	On-Demand	Anodyne	LIPA	74	44
CN(C(=O)COc1nsnc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1	ZINC000852360263	GB	On-Demand	Anodyne	LIPA	73	43
CN(C(=O)COc1nsnc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000852360264	GB	On-Demand	Anodyne	LIPA	73	43
C[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1cc(Cl)ccc1F	ZINC000852360274	GI	On-Demand	Anodyne	PDS	74	35
N#Cc1ccc(CCNC(=O)N[C@H]2CCn3ccnc32)cc1	ZINC000852360345	CD	On-Demand	Mild	GPBAR1	33	40
N#Cc1ccc(CCNC(=O)N[C@@H]2CCn3ccnc32)cc1	ZINC000852360346	CD	On-Demand	Mild	GPBAR1	33	40
O=C(COc1nsnc1N1CCOCC1)N1CCN(c2ccccc2)CC1	ZINC000852360442	GD	On-Demand	Anodyne	LIPA	87	52
O=C(COc1nsnc1N1CCOCC1)N1CCN(c2ccccc2)CC1	ZINC000852360442	GD	On-Demand	Anodyne	ADAM10	28	40
O=C(COc1nsnc1N1CCOCC1)N1CCN(c2ccccc2)CC1	ZINC000852360442	GD	On-Demand	Anodyne	AKR1C3	16	40
O=C(COc1nsnc1N1CCOCC1)N1CCN(c2ccccc2)CC1	ZINC000852360442	GD	On-Demand	Anodyne	STAT6	43	36
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@@H]4C[C@H]4C3)[C@H]2C1	ZINC000852360485	DD	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@H]4C[C@@H]4C3)[C@H]2C1	ZINC000852360486	DD	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@@H]4C[C@@H]4C3)[C@H]2C1	ZINC000852360487	DD	On-Demand	Anodyne	GPR119	27	43
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@H]4C[C@H]4C3)[C@H]2C1	ZINC000852360488	DD	On-Demand	Anodyne	GPR119	27	43
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H](C)O1)C(F)F	ZINC000852360510	GD	On-Demand	Reactive	SIGMAR1	15	40
C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1ccc2occc2c1	ZINC000852360523	GH	On-Demand	Anodyne	PCSK5	40	30
C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1ccc2occc2c1	ZINC000852360523	GH	On-Demand	Anodyne	FURIN	44	31
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@H]4COC[C@@H]4C3)[C@H]2C1	ZINC000852360529	FD	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@@H]4COC[C@@H]4C3)[C@H]2C1	ZINC000852360530	FD	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@H]4COC[C@H]4C3)[C@H]2C1	ZINC000852360531	FD	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@@H]4COC[C@H]4C3)[C@H]2C1	ZINC000852360532	FD	On-Demand	Anodyne	GPR119	29	42
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360662	DF	On-Demand	Anodyne	LTA4H	32	40
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360662	DF	On-Demand	Anodyne	CTSB	20	40
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360662	DF	On-Demand	Anodyne	PLA2G4B	85	34
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360662	DF	On-Demand	Anodyne	FAAH	17	44
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360662	DF	On-Demand	Anodyne	CAPN2	73	40
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360662	DF	On-Demand	Anodyne	ACE2	51	36
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360662	DF	On-Demand	Anodyne	PDS	68	38
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360664	DF	On-Demand	Anodyne	LTA4H	32	40
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360664	DF	On-Demand	Anodyne	CTSB	20	40
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360664	DF	On-Demand	Anodyne	PLA2G4B	85	34
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360664	DF	On-Demand	Anodyne	FAAH	17	44
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360664	DF	On-Demand	Anodyne	CAPN2	73	40
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360664	DF	On-Demand	Anodyne	ACE2	51	36
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CCCOc1ccccc1	ZINC000852360664	DF	On-Demand	Anodyne	PDS	68	38
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)NCCc3ccnc4ccccc34)[C@H]2C1	ZINC000852360672	GF	On-Demand	Anodyne	ADAM17	17	41
C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852360765	FG	On-Demand	Mild	PAPA1_CARPA	35	40
C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCCc1ccc(C#N)cc1	ZINC000852360765	FG	On-Demand	Mild	CTRB_BOVIN	59	39
Cc1ccncc1CCNC(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000852360786	FE	On-Demand	Anodyne	GPR119	25	42
CC(C)c1ccc2c(c1)CN(C(=O)N[C@H]1CCn3ccnc31)CC2	ZINC000852360807	DG	On-Demand	Anodyne	MAPK1	50	38
CC(C)c1ccc2c(c1)CN(C(=O)N[C@@H]1CCn3ccnc31)CC2	ZINC000852360808	DG	On-Demand	Anodyne	MAPK1	50	38
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@@H]4NC(=O)CC[C@H]4C3)[C@H]2C1	ZINC000852360809	GD	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@@H]4NC(=O)CC[C@@H]4C3)[C@H]2C1	ZINC000852360810	GD	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@H]4NC(=O)CC[C@@H]4C3)[C@H]2C1	ZINC000852360811	GD	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CC[C@H]4NC(=O)CC[C@H]4C3)[C@H]2C1	ZINC000852360812	GD	On-Demand	Anodyne	GPR119	28	41
CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCOc2ccccc2)CC1	ZINC000852360850	FD	On-Demand	Anodyne	P2RY12	44	37
CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCOc2ccccc2)CC1	ZINC000852360850	FD	On-Demand	Anodyne	HRH3	15	43
CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCCOc2ccccc2)CC1	ZINC000852360850	FD	On-Demand	Anodyne	PLA2G4B	51	32
CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCOc2ccccc2)CC1	ZINC000852360851	FD	On-Demand	Anodyne	P2RY12	44	37
CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCOc2ccccc2)CC1	ZINC000852360851	FD	On-Demand	Anodyne	HRH3	15	43
CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCCOc2ccccc2)CC1	ZINC000852360851	FD	On-Demand	Anodyne	PLA2G4B	51	32
C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1CCc2nccnc2C1	ZINC000852360860	FE	On-Demand	Anodyne	MAPK1	41	36
O=C(NCc1cccnc1N1CCCC1)N[C@H]1CCn2ccnc21	ZINC000852360918	ED	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)N[C@H]1CCn2ccnc21	ZINC000852360918	ED	On-Demand	Anodyne	SCN10A	20	46
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CCn2ccnc21	ZINC000852360919	ED	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1CCn2ccnc21	ZINC000852360919	ED	On-Demand	Anodyne	SCN10A	20	46
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCn2ccnc21	ZINC000852360967	FD	On-Demand	Anodyne	ACHE	23	44
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCn2ccnc21	ZINC000852360967	FD	On-Demand	Anodyne	SIGMAR1	25	43
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCn2ccnc21	ZINC000852360967	FD	On-Demand	Anodyne	SSTR5	40	33
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCn2ccnc21	ZINC000852360967	FD	On-Demand	Anodyne	CCR3	34	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCn2ccnc21	ZINC000852360967	FD	On-Demand	Anodyne	CACNA1I	62	41
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCn2ccnc21	ZINC000852360968	FD	On-Demand	Anodyne	ACHE	23	44
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCn2ccnc21	ZINC000852360968	FD	On-Demand	Anodyne	SIGMAR1	25	43
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCn2ccnc21	ZINC000852360968	FD	On-Demand	Anodyne	SSTR5	40	33
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCn2ccnc21	ZINC000852360968	FD	On-Demand	Anodyne	CCR3	34	40
O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCn2ccnc21	ZINC000852360968	FD	On-Demand	Anodyne	CACNA1I	62	41
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)NCCc3ccc(C#N)cc3)[C@H]2C1	ZINC000852360988	FE	On-Demand	Mild	GPR119	24	45
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@H]1CCn2ccnc21	ZINC000852361041	DF	On-Demand	Anodyne	CCR3	50	38
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCn2ccnc21	ZINC000852361042	DF	On-Demand	Anodyne	CCR3	50	38
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@@H]1CCn2ccnc21	ZINC000852361043	DF	On-Demand	Anodyne	CCR3	50	38
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@H]1CCn2ccnc21	ZINC000852361044	DF	On-Demand	Anodyne	CCR3	50	38
C=CCCNC(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C	ZINC000852361045	CF	On-Demand	Mild	CTSK	17	46
C=CCCNC(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C	ZINC000852361046	CF	On-Demand	Mild	CTSK	17	46
CC[C@@H](NC(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)C1CC1	ZINC000852361055	EG	On-Demand	Anodyne	CTSK	15	41
CC[C@@H](NC(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)C1CC1	ZINC000852361058	EG	On-Demand	Anodyne	CTSK	15	41
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CCc4nccnc4C3)[C@H]2C1	ZINC000852361131	FD	On-Demand	Anodyne	GPR119	28	41
CC[C@@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(F)F	ZINC000852361133	FG	On-Demand	Anodyne	CTSK	17	41
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C	ZINC000852361146	EH	On-Demand	Anodyne	CTSK	16	44
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C	ZINC000852361147	EH	On-Demand	Anodyne	CTSK	16	44
CC(C)(C)OC(=O)CC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852361215	GG	On-Demand	Anodyne	PAPA1_CARPA	39	40
CC(C)(C)OC(=O)CC[C@@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852361215	GG	On-Demand	Anodyne	FPR1	53	37
CC(C)(C)OC(=O)CC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852361216	GG	On-Demand	Anodyne	PAPA1_CARPA	39	40
CC(C)(C)OC(=O)CC[C@H](Cc1ccccc1)NC(=O)NCc1ncccn1	ZINC000852361216	GG	On-Demand	Anodyne	FPR1	53	37
CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)NCC3CCN(CC4CC4)CC3)[C@H]2C1	ZINC000852361236	GE	On-Demand	Anodyne	CACNA1I	53	37
CC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(F)F	ZINC000852361245	GF	On-Demand	Anodyne	TPP2	52	32
CC[C@@H](NC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(F)F	ZINC000852361248	GF	On-Demand	Anodyne	TPP2	52	32
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(F)F	ZINC000852361289	EF	On-Demand	Clean	MTNR1B	16	48
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(F)F	ZINC000852361292	EF	On-Demand	Clean	MTNR1B	16	48
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(F)F	ZINC000852361311	FH	On-Demand	Anodyne	PDS	63	34
CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1nsnc1N1CCOCC1	ZINC000852361401	ID	On-Demand	Anodyne	LIPA	73	43
CCC(CC)(CNC(=O)NC(CF)CF)c1ccc(F)cc1	ZINC000852361415	DG	On-Demand	Anodyne	CACNA1G	40	47
O=C(NC(CF)CF)N1CCC(c2ccon2)CC1	ZINC000852361424	CD	On-Demand	Anodyne	ETHR	46	32
O=C(NCC1CCN(CC2CC2)CC1)NC(CF)CF	ZINC000852361434	CD	On-Demand	Anodyne	CACNA1I	56	35
O=C(NCC[C@H]1CCc2ccccc21)NCC[S@](=O)CC(F)(F)F	ZINC000852361446	FF	On-Demand	Anodyne	NQO2	20	43
O=C(NCC[C@@H]1CCc2ccccc21)NCC[S@@](=O)CC(F)(F)F	ZINC000852361447	FF	On-Demand	Anodyne	NQO2	20	43
O=C(NCC[C@@H]1CCc2ccccc21)NCC[S@](=O)CC(F)(F)F	ZINC000852361448	FF	On-Demand	Anodyne	NQO2	20	43
O=C(NCC[C@H]1CCc2ccccc21)NCC[S@@](=O)CC(F)(F)F	ZINC000852361449	FF	On-Demand	Anodyne	NQO2	20	43
O=C(NC(CF)CF)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852361462	DF	On-Demand	Anodyne	SCD1	21	44
O=C(NC(CF)CF)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852361462	DF	On-Demand	Anodyne	SCD	30	44
O=C(NC(CF)CF)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852361462	DF	On-Demand	Anodyne	TRPM8	35	59
O=C(NC(CF)CF)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852361465	FG	On-Demand	Anodyne	CCR1	20	40
O=C(NC(CF)CF)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852361465	FG	On-Demand	Anodyne	BCL2A1	45	36
CO[C@@](C)(CNC(=O)NC(CF)CF)COCc1ccccc1	ZINC000852361480	EE	On-Demand	Anodyne	PAPA1_CARPA	44	36
CO[C@@](C)(CNC(=O)NC(CF)CF)COCc1ccccc1	ZINC000852361480	EE	On-Demand	Anodyne	CTSK	16	41
COc1cccc([C@]2(C)CCN(C(=O)NCc3cc(F)cnc3Cl)C2)c1	ZINC000852361497	GH	On-Demand	Anodyne	CACNA1H	48	33
COc1cccc([C@]2(C)CCN(C(=O)NCc3cc(F)cnc3Cl)C2)c1	ZINC000852361497	GH	On-Demand	Anodyne	DRD4	40	31
COc1cccc([C@]2(C)CCN(C(=O)NCc3cc(F)cnc3Cl)C2)c1	ZINC000852361497	GH	On-Demand	Anodyne	EPHX2	16	47
O=C(NCC1CCN(CC2CC2)CC1)N[C@H]1CCn2ccnc21	ZINC000852361500	DD	On-Demand	Anodyne	CACNA1I	56	37
O=C(NCC1CCN(CC2CC2)CC1)N[C@@H]1CCn2ccnc21	ZINC000852361501	DD	On-Demand	Anodyne	CACNA1I	56	37
Cc1ccncc1CCNC(=O)NCc1cc(F)cnc1Cl	ZINC000852361523	DF	On-Demand	Anodyne	P2RX7	45	44
Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852361524	GF	On-Demand	Anodyne	P2RX7	37	40
CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)NCc1cc(F)cnc1Cl	ZINC000852361564	FE	On-Demand	Anodyne	P2RX7	65	39
CC[C@@H](NC(=O)NCc1cc(F)cnc1Cl)C1CC1	ZINC000852361565	CF	On-Demand	Anodyne	P2RX7	47	41
CC(C)(C)C(F)(F)CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852361578	DG	On-Demand	Anodyne	P2RX7	40	38
COc1ccc([C@@H]2CCCN2C(=O)NCc2cc(F)cnc2Cl)cc1F	ZINC000852361579	GI	On-Demand	Anodyne	P2RX7	44	40
COc1ccc([C@@H]2CCCN2C(=O)NCc2cc(F)cnc2Cl)cc1F	ZINC000852361579	GI	On-Demand	Anodyne	ACKR3	44	31
O=C(NC(CF)CF)N[C@H]1CCCCc2cc(Br)ccc21	ZINC000852361595	FH	On-Demand	Anodyne	BDKRB1	55	37
O=C(NC(CF)CF)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852361596	FH	On-Demand	Anodyne	BDKRB1	55	37
O=C(COc1nsnc1N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852361606	ID	On-Demand	Bother	SSTR1	42	44
O=C(COc1nsnc1N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852361606	ID	On-Demand	Bother	LIPA	77	46
O=C(NC[C@H]1CN(Cc2ccccc2)CC12CCC2)NC(CF)CF	ZINC000852361608	FF	On-Demand	Anodyne	NPFFR1	41	36
O=C(NC[C@@H]1CN(Cc2ccccc2)CC12CCC2)NC(CF)CF	ZINC000852361609	FF	On-Demand	Anodyne	NPFFR1	41	36
CC(C)c1ccc([C@H](C)NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852361616	GF	On-Demand	Anodyne	LIPA	80	47
CC(C)c1ccc([C@@H](C)NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852361617	GF	On-Demand	Anodyne	LIPA	80	47
CCC[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852361618	EE	On-Demand	Clean	MTNR1A	16	50
CCC[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852361618	EE	On-Demand	Clean	MTNR1B	16	50
CCC[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852361619	EE	On-Demand	Clean	MTNR1A	16	50
CCC[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852361619	EE	On-Demand	Clean	MTNR1B	16	50
CCC[C@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852361620	EE	On-Demand	Clean	MTNR1A	16	50
CCC[C@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852361620	EE	On-Demand	Clean	MTNR1B	16	50
CCC[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852361621	EE	On-Demand	Clean	MTNR1A	16	50
CCC[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852361621	EE	On-Demand	Clean	MTNR1B	16	50
O=C(NC(CF)CF)N[C@H](CO)c1ccc(F)cc1F	ZINC000852361659	CD	On-Demand	Anodyne	CES2	15	42
O=C(NC(CF)CF)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852361660	CD	On-Demand	Anodyne	CES2	15	42
Cn1cc(CCNC(=O)NC(CF)CF)c2ccccc21	ZINC000852361662	CE	On-Demand	Anodyne	MTNR1A	15	45
O=C(NCC[C@H]1CCc2ccccc21)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852361664	GH	On-Demand	Anodyne	NQO2	20	40
O=C(NCC[C@H]1CCc2ccccc21)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852361665	GH	On-Demand	Anodyne	NQO2	20	40
O=C(NCC[C@@H]1CCc2ccccc21)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852361666	GH	On-Demand	Anodyne	NQO2	20	40
O=C(NCC[C@@H]1CCc2ccccc21)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852361667	GH	On-Demand	Anodyne	NQO2	20	40
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(C2CCOCC2)CC1	ZINC000852361703	GF	On-Demand	Anodyne	CACNA1I	60	33
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)cnc3Cl)C2)cc1	ZINC000852361712	GF	On-Demand	Clean	P2RX7	45	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(F)cnc3Cl)C2)cc1	ZINC000852361712	GF	On-Demand	Clean	MCHR1	17	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1cc(F)cnc1Cl	ZINC000852361714	GF	On-Demand	Clean	P2RX7	51	39
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852361718	EF	On-Demand	Anodyne	P2RX7	43	36
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852361719	EF	On-Demand	Anodyne	P2RX7	43	36
Cc1n[nH]c(C)c1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852361737	EC	On-Demand	Anodyne	LIPA	82	49
O=C(NCc1cc(F)cnc1Cl)NCc1cccnc1N1CCCC1	ZINC000852361739	FF	On-Demand	Anodyne	P2RX7	61	41
O=C(NCc1cc(F)cnc1Cl)NCc1cccnc1N1CCCC1	ZINC000852361739	FF	On-Demand	Anodyne	SCN2A	22	52
O=C(NCc1cc(F)cnc1Cl)NCc1cccnc1N1CCCC1	ZINC000852361739	FF	On-Demand	Anodyne	SCN10A	36	52
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCc1cc(F)cnc1Cl	ZINC000852361754	GI	On-Demand	Anodyne	P2RX7	48	38
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCc1cc(F)cnc1Cl	ZINC000852361754	GI	On-Demand	Anodyne	MDM2	41	33
CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852361776	GG	On-Demand	Anodyne	P2RX7	47	38
O=C(NCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCn2ccnc21	ZINC000852361781	EG	On-Demand	Anodyne	P2RX7	15	43
O=C(NCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCn2ccnc21	ZINC000852361781	EG	On-Demand	Anodyne	CCR3	24	41
O=C(NCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCn2ccnc21	ZINC000852361781	EG	On-Demand	Anodyne	DNAE	73	33
O=C(NCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCn2ccnc21	ZINC000852361781	EG	On-Demand	Anodyne	RPA1	57	34
O=C(NCc1ccc(Cl)c(Cl)c1)N[C@H]1CCn2ccnc21	ZINC000852361782	EG	On-Demand	Anodyne	P2RX7	15	43
O=C(NCc1ccc(Cl)c(Cl)c1)N[C@H]1CCn2ccnc21	ZINC000852361782	EG	On-Demand	Anodyne	CCR3	24	41
O=C(NCc1ccc(Cl)c(Cl)c1)N[C@H]1CCn2ccnc21	ZINC000852361782	EG	On-Demand	Anodyne	DNAE	73	33
O=C(NCc1ccc(Cl)c(Cl)c1)N[C@H]1CCn2ccnc21	ZINC000852361782	EG	On-Demand	Anodyne	RPA1	57	34
NC(=O)CC1(CNC(=O)NCc2cc(F)cnc2Cl)CCCCC1	ZINC000852361787	FE	On-Demand	Anodyne	P2RX7	26	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NC(CF)CF	ZINC000852361817	ED	On-Demand	Anodyne	DRD4	15	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC(CF)CF	ZINC000852361817	ED	On-Demand	Anodyne	ACHE	36	51
O=C(NCC1CCN(Cc2ccncc2)CC1)NC(CF)CF	ZINC000852361817	ED	On-Demand	Anodyne	HTR4	47	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NC(CF)CF	ZINC000852361817	ED	On-Demand	Anodyne	SIGMAR1	33	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NC(CF)CF	ZINC000852361817	ED	On-Demand	Anodyne	CCR3	47	43
O=C(NCC1CCN(Cc2ccncc2)CC1)NC(CF)CF	ZINC000852361817	ED	On-Demand	Anodyne	MCHR1	26	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NC(CF)CF	ZINC000852361817	ED	On-Demand	Anodyne	CACNA1I	70	43
Cc1ccccc1[C@H](C)NC(=O)COc1nsnc1N1CCOCC1	ZINC000852361856	FD	On-Demand	Anodyne	LIPA	82	48
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1nsnc1N1CCOCC1	ZINC000852361870	HE	On-Demand	Anodyne	LIPA	75	44
O=C(NCc1cccnc1N1CCCC1)NC(CF)CF	ZINC000852361875	CD	On-Demand	Anodyne	TRPV1	19	40
O=C(NCc1cccnc1N1CCCC1)NC(CF)CF	ZINC000852361875	CD	On-Demand	Anodyne	SCN2A	19	48
O=C(NCc1cccnc1N1CCCC1)NC(CF)CF	ZINC000852361875	CD	On-Demand	Anodyne	SCN10A	25	48
O=C(NCc1cc(F)cnc1Cl)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852361898	EG	On-Demand	Anodyne	EPHX2	39	44
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)CCCOc3ccccc3)CC2)cc1	ZINC000852361914	JF	On-Demand	Anodyne	TRY2_BOVIN	19	41
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)CCCOc3ccccc3)CC2)cc1	ZINC000852361914	JF	On-Demand	Anodyne	TGM2	52	37
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)CCCOc3ccccc3)CC2)cc1	ZINC000852361914	JF	On-Demand	Anodyne	F13A1	60	37
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)CCCOc3ccccc3)CC2)cc1	ZINC000852361915	JF	On-Demand	Anodyne	TRY2_BOVIN	19	41
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)CCCOc3ccccc3)CC2)cc1	ZINC000852361915	JF	On-Demand	Anodyne	TGM2	52	37
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)CCCOc3ccccc3)CC2)cc1	ZINC000852361915	JF	On-Demand	Anodyne	F13A1	60	37
O=C(NCc1cc(F)cnc1Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852361933	GI	On-Demand	Anodyne	KCNH2	40	39
O=C(NCc1cc(F)cnc1Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852361933	GI	On-Demand	Anodyne	P2RX7	48	39
O=C(NCc1cc(F)cnc1Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852361933	GI	On-Demand	Anodyne	EPHX2	23	48
N#CC1(CNC(=O)NCc2cc(F)cnc2Cl)CCCCC1	ZINC000852361962	DG	On-Demand	Mild	P2RX7	23	42
CCNC(=O)CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852361966	CC	On-Demand	Anodyne	P2RX7	46	39
COCCN(CCF)C(=O)NCC[C@@H]1CCc2ccccc21	ZINC000852361967	DF	On-Demand	Anodyne	NQO2	22	44
COCCN(CCF)C(=O)NCC[C@@H]1CCc2ccccc21	ZINC000852361967	DF	On-Demand	Anodyne	MTNR1A	19	40
COCCN(CCF)C(=O)NCC[C@H]1CCc2ccccc21	ZINC000852361973	DF	On-Demand	Anodyne	NQO2	22	44
COCCN(CCF)C(=O)NCC[C@H]1CCc2ccccc21	ZINC000852361973	DF	On-Demand	Anodyne	MTNR1A	19	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCCC3(F)F)C2)cc1	ZINC000852361975	FG	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCCC3(F)F)C2)cc1	ZINC000852361975	FG	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCCC3(F)F)C2)cc1	ZINC000852361977	FG	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCCC3(F)F)C2)cc1	ZINC000852361977	FG	On-Demand	Clean	MTNR1B	15	43
O=C(NCC[C@H]1CCc2ccccc21)NCCS(=O)(=O)CC(F)(F)F	ZINC000852361987	GE	On-Demand	Anodyne	NQO2	21	45
O=C(NCC[C@@H]1CCc2ccccc21)NCCS(=O)(=O)CC(F)(F)F	ZINC000852361989	GE	On-Demand	Anodyne	NQO2	21	45
O=C(N[C@@H]1CCn2ccnc21)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852361996	DD	On-Demand	Anodyne	ETHR	41	32
O=C(N[C@H]1CCn2ccnc21)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852361998	DD	On-Demand	Anodyne	ETHR	41	32
O=C(N[C@@H]1CCn2ccnc21)N1CCO[C@@H](CC(F)(F)F)C1	ZINC000852362000	DD	On-Demand	Anodyne	ETHR	41	32
O=C(N[C@H]1CCn2ccnc21)N1CCO[C@H](CC(F)(F)F)C1	ZINC000852362002	DD	On-Demand	Anodyne	ETHR	41	32
O=C(NCC[C@@H]1CCc2ccccc21)NCc1ncccn1	ZINC000852362003	CE	On-Demand	Anodyne	NQO2	21	42
O=C(NCC[C@H]1CCc2ccccc21)NCc1ncccn1	ZINC000852362005	CE	On-Demand	Anodyne	NQO2	21	42
COC(=O)c1nc(CNC(=O)NCc2cc(C3CC3)ccc2F)ccc1Cl	ZINC000852362029	GH	On-Demand	Anodyne	P2RX7	45	34
CCc1ccc([C@H](C)NC(=O)COc2nsnc2N2CCOCC2)cc1	ZINC000852362039	GE	On-Demand	Anodyne	LIPA	76	45
O=C(NC(CF)CF)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852362045	FG	On-Demand	Anodyne	CNR1	51	32
O=C(NC(CF)CF)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852362045	FG	On-Demand	Anodyne	MC4R	111	43
O=C(NC(CF)CF)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852362045	FG	On-Demand	Anodyne	NPY2R	47	41
O=C(NC(CF)CF)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852362045	FG	On-Demand	Anodyne	CXCR3	16	46
O=C(NC(CF)CF)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852362045	FG	On-Demand	Anodyne	RBP4	16	44
O=C(NC(CF)CF)N[C@@H]1CCc2ccccc2-n2ccnc21	ZINC000852362052	DE	On-Demand	Anodyne	NPY1R	29	41
O=C(NC(CF)CF)N[C@H]1CCc2ccccc2-n2ccnc21	ZINC000852362053	DE	On-Demand	Anodyne	NPY1R	29	41
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cc(C3CC3)ccc2F)O1	ZINC000852362081	FD	On-Demand	Reactive	P2RX7	40	36
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cc(C3CC3)ccc2F)O1	ZINC000852362082	FD	On-Demand	Reactive	P2RX7	40	36
O=C(NCCN1C[C@H]2CCCCN2C1=O)NCc1cc(F)cnc1Cl	ZINC000852362117	FD	On-Demand	Anodyne	P2RX7	44	40
O=C(NCCN1C[C@@H]2CCCCN2C1=O)NCc1cc(F)cnc1Cl	ZINC000852362118	FD	On-Demand	Anodyne	P2RX7	44	40
O=C(NC(CF)CF)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852362163	FE	On-Demand	Anodyne	TPP2	44	31
O=C(NC(CF)CF)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852362165	FE	On-Demand	Anodyne	TPP2	44	31
O=C(NC(CF)CF)N1CCc2nccnc2C1	ZINC000852362169	CC	On-Demand	Anodyne	MAPK1	49	34
CCC[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)OC	ZINC000852362171	GF	On-Demand	Anodyne	TPP2	53	32
CCC[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)OC	ZINC000852362173	GF	On-Demand	Anodyne	TPP2	53	32
CCC[C@H](CNC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)OC	ZINC000852362175	GF	On-Demand	Anodyne	TPP2	53	32
CCC[C@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)OC	ZINC000852362177	GF	On-Demand	Anodyne	TPP2	53	32
O=C(NC(CF)CF)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852362179	DG	On-Demand	Anodyne	CHRM1	20	41
O=C(NC(CF)CF)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852362179	DG	On-Demand	Anodyne	SLC6A3	35	52
O=C(NC(CF)CF)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852362179	DG	On-Demand	Anodyne	KCNH2	48	46
O=C(NC(CF)CF)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852362179	DG	On-Demand	Anodyne	EPHX2	18	43
O=C(NC(CF)CF)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852362179	DG	On-Demand	Anodyne	GLRA1	46	36
O=C(NC(CF)CF)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852362179	DG	On-Demand	Anodyne	ACHP_LYMST	28	40
O=C(NC(CF)CF)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852362179	DG	On-Demand	Anodyne	Q8WSF8_APLCA	38	40
O=C(NC(CF)CF)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852362182	EG	On-Demand	Anodyne	P2RY14	47	37
COC(=O)N(C)CCNC(=O)NCC[C@@H]1CCc2ccccc21	ZINC000852362187	DE	On-Demand	Anodyne	NQO2	23	47
COC(=O)N(C)CCNC(=O)NCC[C@@H]1CCc2ccccc21	ZINC000852362187	DE	On-Demand	Anodyne	MTNR1A	24	42
COC(=O)N(C)CCNC(=O)NCC[C@@H]1CCc2ccccc21	ZINC000852362187	DE	On-Demand	Anodyne	MTNR1B	22	40
COC(=O)N(C)CCNC(=O)NCC[C@H]1CCc2ccccc21	ZINC000852362189	DE	On-Demand	Anodyne	NQO2	23	47
COC(=O)N(C)CCNC(=O)NCC[C@H]1CCc2ccccc21	ZINC000852362189	DE	On-Demand	Anodyne	MTNR1A	24	42
COC(=O)N(C)CCNC(=O)NCC[C@H]1CCc2ccccc21	ZINC000852362189	DE	On-Demand	Anodyne	MTNR1B	22	40
O=C(NCc1cc(F)cnc1Cl)N1CCC(C2CCC2)CC1	ZINC000852362190	EH	On-Demand	Anodyne	EPHX2	19	48
O=C(N[C@H]1CCn2ccnc21)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852362206	FG	On-Demand	Anodyne	P2RY14	42	34
O=C(N[C@@H]1CCn2ccnc21)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852362207	FG	On-Demand	Anodyne	P2RY14	42	34
C[C@@H](OC(=O)CCCOc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852362215	HG	On-Demand	Anodyne	P2RY12	52	34
COC(=O)c1ccc(CNC(=O)NC(CF)CF)c(F)c1	ZINC000852362218	DD	On-Demand	Anodyne	BDKRB1	27	42
O=C(NCC[C@H]1CCc2ccccc21)NCC1SCCS1	ZINC000852362220	DG	On-Demand	Anodyne	NQO2	21	41
O=C(NCC[C@H]1CCc2ccccc21)NCC1SCCS1	ZINC000852362220	DG	On-Demand	Anodyne	MTNR1A	21	40
O=C(NCC[C@@H]1CCc2ccccc21)NCC1SCCS1	ZINC000852362222	DG	On-Demand	Anodyne	NQO2	21	41
O=C(NCC[C@@H]1CCc2ccccc21)NCC1SCCS1	ZINC000852362222	DG	On-Demand	Anodyne	MTNR1A	21	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NC(CF)CF)C1	ZINC000852362224	GG	On-Demand	Anodyne	EPHX2	26	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NC(CF)CF)C1	ZINC000852362224	GG	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NC(CF)CF)C1	ZINC000852362224	GG	On-Demand	Anodyne	SFRP1	64	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NC(CF)CF)C1	ZINC000852362224	GG	On-Demand	Anodyne	WNT3	44	37
O=C(NCC[C@H]1CCc2ccccc21)N[C@H]1C=CCC1	ZINC000852362233	CG	On-Demand	Anodyne	NQO2	20	41
O=C(NCC[C@@H]1CCc2ccccc21)N[C@H]1C=CCC1	ZINC000852362235	CG	On-Demand	Anodyne	NQO2	20	41
O=C(NCC[C@H]1CCc2ccccc21)N[C@@H]1C=CCC1	ZINC000852362236	CG	On-Demand	Anodyne	NQO2	20	41
O=C(NCC[C@@H]1CCc2ccccc21)N[C@@H]1C=CCC1	ZINC000852362237	CG	On-Demand	Anodyne	NQO2	20	41
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NC(CF)CF	ZINC000852362246	EG	On-Demand	Anodyne	MDM2	65	33
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2c(c1)OCCCO2	ZINC000852362248	GD	On-Demand	Anodyne	LIPA	82	47
O=C(COc1nsnc1N1CCOCC1)Nc1ccc2c(c1)OCCCO2	ZINC000852362248	GD	On-Demand	Anodyne	STAT6	47	33
O=C(NCCC1SCCS1)NCC[C@@H]1CCc2ccccc21	ZINC000852362249	EH	On-Demand	Anodyne	NQO2	21	43
O=C(NCCC1SCCS1)NCC[C@@H]1CCc2ccccc21	ZINC000852362249	EH	On-Demand	Anodyne	MTNR1A	20	41
O=C(NCCC1SCCS1)NCC[C@H]1CCc2ccccc21	ZINC000852362253	EH	On-Demand	Anodyne	NQO2	21	43
O=C(NCCC1SCCS1)NCC[C@H]1CCc2ccccc21	ZINC000852362253	EH	On-Demand	Anodyne	MTNR1A	20	41
CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc(F)cnc2Cl)C1	ZINC000852362256	EF	On-Demand	Anodyne	P2RX7	56	40
CC(C)(C)N1CC[C@H](NC(=O)NCc2cc(F)cnc2Cl)C1	ZINC000852362259	EF	On-Demand	Anodyne	P2RX7	56	40
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852362266	GF	On-Demand	Anodyne	ACHE	22	41
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852362266	GF	On-Demand	Anodyne	SIGMAR1	25	47
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852362266	GF	On-Demand	Anodyne	SSTR5	45	37
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852362266	GF	On-Demand	Anodyne	P2RX7	33	40
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852362266	GF	On-Demand	Anodyne	CCR3	62	45
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852362266	GF	On-Demand	Anodyne	MCHR1	33	41
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852362266	GF	On-Demand	Anodyne	CACNA1I	67	44
O=C(NC(CF)CF)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852362300	EE	On-Demand	Anodyne	CTRB1	30	40
O=C(NC(CF)CF)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852362300	EE	On-Demand	Anodyne	SSTR3	37	51
c1ccc(-c2noc(COc3nsnc3N3CCOCC3)n2)cc1	ZINC000852362306	EE	On-Demand	Anodyne	LIPA	46	40
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)COc1nsnc1N1CCOCC1	ZINC000852362313	JF	On-Demand	Anodyne	LIPA	68	40
O=C(NCc1ccc(N2CCCNC2=O)cc1)NCc1cc(F)cnc1Cl	ZINC000852362409	GF	On-Demand	Anodyne	P2RX7	40	38
C[C@H](NC(=O)NC(CF)CF)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852362412	FI	On-Demand	Anodyne	ACACA	25	44
C[C@H](NC(=O)NC(CF)CF)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852362412	FI	On-Demand	Anodyne	ACACB	24	44
O=C(NCc1cc(F)cnc1Cl)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852362415	CF	On-Demand	Anodyne	P2RX7	48	38
C[C@@H](NC(=O)NC(CF)CF)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852362416	FI	On-Demand	Anodyne	ACACA	25	44
C[C@@H](NC(=O)NC(CF)CF)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852362416	FI	On-Demand	Anodyne	ACACB	24	44
C[C@H](NC(=O)NC(CF)CF)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852362418	FI	On-Demand	Anodyne	ACACA	25	44
C[C@H](NC(=O)NC(CF)CF)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852362418	FI	On-Demand	Anodyne	ACACB	24	44
O=C(NCc1cc(F)cnc1Cl)N1CCC(c2ccco2)CC1	ZINC000852362427	EH	On-Demand	Anodyne	EPHX2	16	44
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NC(CF)CF)CCC2	ZINC000852362485	EE	On-Demand	Anodyne	NQO2	23	45
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NC(CF)CF)CCC2	ZINC000852362485	EE	On-Demand	Anodyne	HTR6	20	40
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NC(CF)CF)CCC2	ZINC000852362487	EE	On-Demand	Anodyne	NQO2	23	45
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NC(CF)CF)CCC2	ZINC000852362487	EE	On-Demand	Anodyne	HTR6	20	40
CN(C[C@@H]1CCc2ccccc21)C(=O)NCc1cc(F)cnc1Cl	ZINC000852362505	EH	On-Demand	Anodyne	P2RX7	45	36
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(CC2CC2)CC1	ZINC000852362514	FF	On-Demand	Anodyne	HTR4	26	40
O=C(NCc1cc(F)cnc1Cl)NCC1CCN(CC2CC2)CC1	ZINC000852362514	FF	On-Demand	Anodyne	CACNA1I	78	38
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1cc(F)cnc1Cl	ZINC000852362515	EG	On-Demand	Anodyne	P2RX7	42	39
O=C(NCc1cc(F)cnc1Cl)N1CCc2nccnc2C1	ZINC000852362578	DD	On-Demand	Anodyne	MAPK1	49	41
O=C(NCCc1ccnc2ccccc12)N[C@H]1CCn2ccnc21	ZINC000852362592	DE	On-Demand	Anodyne	HNMT	48	36
C[C@@]1(C(=O)NNC(=O)N2CCC3(CCc4ccccc4O3)CC2)CCCO1	ZINC000852362599	FE	On-Demand	Reactive	TRPM8	20	51
O=C(NC(CF)CF)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852362655	CE	On-Demand	Anodyne	EPHX2	34	40
COc1cccc([C@]2(C)CCN(C(=O)NC(CF)CF)C2)c1	ZINC000852362675	DF	On-Demand	Anodyne	DRD4	43	33
COc1cccc([C@]2(C)CCN(C(=O)NC(CF)CF)C2)c1	ZINC000852362675	DF	On-Demand	Anodyne	MTNR1B	40	36
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCC[C@@H]1CCc2ccccc21	ZINC000852362699	GE	On-Demand	Reactive	NQO2	21	43
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCC[C@H]1CCc2ccccc21	ZINC000852362701	GE	On-Demand	Reactive	NQO2	21	43
NS(=O)(=O)c1cc(CNC(=O)NC(CF)CF)ccc1F	ZINC000852362727	EC	On-Demand	Anodyne	CA2	30	42
NS(=O)(=O)c1cc(CNC(=O)NC(CF)CF)ccc1F	ZINC000852362727	EC	On-Demand	Anodyne	CA1	23	42
NS(=O)(=O)c1cc(CNC(=O)NC(CF)CF)ccc1F	ZINC000852362727	EC	On-Demand	Anodyne	CA4	23	42
NS(=O)(=O)c1cc(CNC(=O)NC(CF)CF)ccc1F	ZINC000852362727	EC	On-Demand	Anodyne	CA9	17	42
O=C(NC[C@@H]1CCN1Cc1ccccc1)NC(CF)CF	ZINC000852362749	CD	On-Demand	Anodyne	ACHE	17	41
O=C(NC[C@@H]1CCN1Cc1ccccc1)NC(CF)CF	ZINC000852362749	CD	On-Demand	Anodyne	SIGMAR1	33	44
O=C(NC[C@H]1CCN1Cc1ccccc1)NC(CF)CF	ZINC000852362750	CD	On-Demand	Anodyne	ACHE	17	41
O=C(NC[C@H]1CCN1Cc1ccccc1)NC(CF)CF	ZINC000852362750	CD	On-Demand	Anodyne	SIGMAR1	33	44
O=C(NCc1ccc(Cl)c(Cl)c1)NC(CF)CF	ZINC000852362751	CG	On-Demand	Anodyne	ANPEP	15	43
O=C(NCc1ccc(Cl)c(Cl)c1)NC(CF)CF	ZINC000852362751	CG	On-Demand	Anodyne	DNAE	43	33
O=C(NCc1ccc(Cl)c(Cl)c1)NC(CF)CF	ZINC000852362751	CG	On-Demand	Anodyne	RPA1	44	34
O=C(NCCc1ccnc2ccccc12)N[C@@H]1CCn2ccnc21	ZINC000852362793	DE	On-Demand	Anodyne	HNMT	48	36
CC(C)c1ccc2c(c1)CN(C(=O)NC(CF)CF)CC2	ZINC000852362858	CG	On-Demand	Anodyne	MAPK1	54	40
C#Cc1ccc(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1	ZINC000852362859	CE	On-Demand	Mild	EPHX2	15	40
C#Cc1ccc(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1	ZINC000852362860	CE	On-Demand	Mild	EPHX2	15	40
C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1cc(F)cnc1Cl	ZINC000852362889	DG	On-Demand	Mild	P2RX7	35	40
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCn2ccnc21	ZINC000852362971	DD	On-Demand	Anodyne	HCN1	57	34
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCn2ccnc21	ZINC000852362971	DD	On-Demand	Anodyne	HCN4	41	32
C[C@@]1(C(=O)NNC(=O)NCc2ccc(Cl)c(Cl)c2)CCCO1	ZINC000852362978	EE	On-Demand	Reactive	DNAE	46	32
CCC[C@@H](CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)OC	ZINC000852362996	FH	On-Demand	Anodyne	PDS	52	33
CCC[C@H](CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)OC	ZINC000852362997	FH	On-Demand	Anodyne	PDS	52	33
O=C(NC(CF)CF)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852363019	FD	On-Demand	Anodyne	SFRP1	63	33
O=C(NC(CF)CF)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852363019	FD	On-Demand	Anodyne	WNT3	62	33
O=C(NC(CF)CF)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852363020	FD	On-Demand	Anodyne	SFRP1	63	33
O=C(NC(CF)CF)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000852363020	FD	On-Demand	Anodyne	WNT3	62	33
O=C(NCC[C@H]1CCc2ccccc21)NNC(=O)c1cccc(F)n1	ZINC000852363025	EE	On-Demand	Reactive	MTNR1A	20	40
O=C(NCC[C@@H]1CCc2ccccc21)NNC(=O)c1cccc(F)n1	ZINC000852363026	EE	On-Demand	Reactive	MTNR1A	20	40
O=C(NC[C@H](O)c1cccc2ccccc12)NC(CF)CF	ZINC000852363027	DE	On-Demand	Anodyne	KCNJ11	61	32
O=C(NC[C@@H](O)c1cccc2ccccc12)NC(CF)CF	ZINC000852363028	DE	On-Demand	Anodyne	KCNJ11	61	32
O=C(NC(CF)CF)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852363050	GF	On-Demand	Anodyne	EPHX2	28	44
O=C(NC(CF)CF)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852363050	GF	On-Demand	Anodyne	RBP4	40	34
CN(c1ccccc1)[C@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363054	CE	On-Demand	Anodyne	CACNA1B	16	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363054	CE	On-Demand	Anodyne	CCR5	44	38
CN(c1ccccc1)[C@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363054	CE	On-Demand	Anodyne	RBP4	40	35
CN(c1ccccc1)[C@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363054	CE	On-Demand	Anodyne	SFRP1	85	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363054	CE	On-Demand	Anodyne	WNT3	60	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363055	CE	On-Demand	Anodyne	CACNA1B	16	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363055	CE	On-Demand	Anodyne	CCR5	44	38
CN(c1ccccc1)[C@@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363055	CE	On-Demand	Anodyne	RBP4	40	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363055	CE	On-Demand	Anodyne	SFRP1	85	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NC(CF)CF)C1	ZINC000852363055	CE	On-Demand	Anodyne	WNT3	60	37
C#Cc1ccc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1	ZINC000852363091	GI	On-Demand	Mild	ROCK2	21	40
C[C@@]1(C(=O)NNC(=O)NCCc2ccnc3ccccc23)CCCO1	ZINC000852363106	ED	On-Demand	Reactive	MTNR1A	15	40
O=C(NCCc1ccnc2ccccc12)NC(CF)CF	ZINC000852363122	CE	On-Demand	Anodyne	MTNR1A	29	47
O=C(NCCc1ccnc2ccccc12)NC(CF)CF	ZINC000852363122	CE	On-Demand	Anodyne	MTNR1B	21	47
C[C@@]1(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCO1	ZINC000852363136	GD	On-Demand	Reactive	ACHE	20	41
C[C@@]1(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCO1	ZINC000852363136	GD	On-Demand	Reactive	HTR4	51	37
C[C@@]1(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCO1	ZINC000852363136	GD	On-Demand	Reactive	SIGMAR1	16	41
C[C@@]1(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCO1	ZINC000852363136	GD	On-Demand	Reactive	SSTR5	44	33
C[C@@]1(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCO1	ZINC000852363136	GD	On-Demand	Reactive	CCR3	19	41
C[C@@]1(C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCO1	ZINC000852363136	GD	On-Demand	Reactive	CACNA1I	63	41
C#Cc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852363197	FH	On-Demand	Mild	KCNH2	42	41
C#Cc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852363197	FH	On-Demand	Mild	EPHX2	18	42
C#Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1	ZINC000852363230	EF	On-Demand	Mild	SLC6A5	17	41
C#Cc1ccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1	ZINC000852363233	EF	On-Demand	Mild	SLC6A5	17	41
C#Cc1ccc(CNC(=O)N2CCc3ccc(C)cc3C2)cc1	ZINC000852363310	DG	On-Demand	Mild	NAMPT	23	41
C#Cc1ccc(CNC(=O)NCC2CCN(C3CCOCC3)CC2)cc1	ZINC000852363371	FE	On-Demand	Mild	NAMPT	18	43
COc1cccc(OC)c1CNC(=O)N[C@H]1CCn2ccnc21	ZINC000852363398	DD	On-Demand	Anodyne	HCN1	57	34
COc1cccc(OC)c1CNC(=O)N[C@H]1CCn2ccnc21	ZINC000852363398	DD	On-Demand	Anodyne	HCN4	41	32
CC[C@@H](C)[C@H](CNC(=O)NC[C@@H](O)c1ccccc1OC)OC	ZINC000852363417	DE	On-Demand	Anodyne	SOAT1	21	40
O=C(NCc1cc(F)cnc1Cl)N[C@@H]1C[C@H]1c1ccccc1Cl	ZINC000852363452	FH	On-Demand	Anodyne	P2RX7	51	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2cc(F)cnc2Cl)C1	ZINC000852363483	FG	On-Demand	Anodyne	P2RX7	60	39
CN(c1ccccc1)[C@H]1CCN(C(=O)NCc2cc(F)cnc2Cl)C1	ZINC000852363483	FG	On-Demand	Anodyne	EPHX2	21	44
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2cc(F)cnc2Cl)C1	ZINC000852363484	FG	On-Demand	Anodyne	P2RX7	60	39
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCc2cc(F)cnc2Cl)C1	ZINC000852363484	FG	On-Demand	Anodyne	EPHX2	21	44
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCn2ccnc21	ZINC000852363488	FD	On-Demand	Clean	STAT6	17	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCn2ccnc21	ZINC000852363489	FD	On-Demand	Clean	STAT6	17	41
O=C(NCc1cc(F)cnc1Cl)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852363490	FF	On-Demand	Anodyne	SIGMAR1	20	40
O=C(NCc1cc(F)cnc1Cl)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852363490	FF	On-Demand	Anodyne	P2RX7	42	42
O=C(NCc1cc(F)cnc1Cl)NC[C@H]1CCN1Cc1ccccc1	ZINC000852363491	FF	On-Demand	Anodyne	SIGMAR1	20	40
O=C(NCc1cc(F)cnc1Cl)NC[C@H]1CCN1Cc1ccccc1	ZINC000852363491	FF	On-Demand	Anodyne	P2RX7	42	42
Cn1ncc(C2CCC2)c1CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852363498	FF	On-Demand	Anodyne	P2RX7	52	45
O=C1CC[C@@H]2CN(C(=O)NCc3cc(F)cnc3Cl)CC[C@H]2N1	ZINC000852363505	ED	On-Demand	Anodyne	P2RX7	19	43
O=C1CC[C@H]2CN(C(=O)NCc3cc(F)cnc3Cl)CC[C@@H]2N1	ZINC000852363506	ED	On-Demand	Anodyne	P2RX7	19	43
O=C1CC[C@H]2CN(C(=O)NCc3cc(F)cnc3Cl)CC[C@H]2N1	ZINC000852363507	ED	On-Demand	Anodyne	P2RX7	19	43
O=C1CC[C@@H]2CN(C(=O)NCc3cc(F)cnc3Cl)CC[C@@H]2N1	ZINC000852363508	ED	On-Demand	Anodyne	P2RX7	19	43
COc1cccc(OC)c1CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852363517	FF	On-Demand	Anodyne	GRIN2B	20	40
COc1cccc(OC)c1CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852363517	FF	On-Demand	Anodyne	P2RX7	62	45
O=C(NCc1cc(F)cnc1Cl)N1CC[C@H]1c1ccc(F)cc1	ZINC000852363518	EH	On-Demand	Anodyne	P2RX7	68	41
O=C(NCc1cc(F)cnc1Cl)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852363519	EH	On-Demand	Anodyne	P2RX7	68	41
O=C(N[C@H]1CCn2ccnc21)N[C@@H]1CCCCc2cc(Br)ccc21	ZINC000852363523	GH	On-Demand	Anodyne	BDKRB1	50	36
O=C(N[C@H]1CCCCc2cc(Br)ccc21)N[C@H]1CCn2ccnc21	ZINC000852363524	GH	On-Demand	Anodyne	BDKRB1	50	36
O=C(N[C@@H]1CCCCc2cc(Br)ccc21)N[C@@H]1CCn2ccnc21	ZINC000852363525	GH	On-Demand	Anodyne	BDKRB1	50	36
O=C(N[C@H]1CCCCc2cc(Br)ccc21)N[C@@H]1CCn2ccnc21	ZINC000852363526	GH	On-Demand	Anodyne	BDKRB1	50	36
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NC(CF)CF	ZINC000852363566	EF	On-Demand	Anodyne	CACNA1I	42	34
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC(CF)CF	ZINC000852363567	EF	On-Demand	Anodyne	CACNA1I	42	34
C[C@@]1(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)CCCO1	ZINC000852363691	ED	On-Demand	Reactive	SCN2A	18	44
C[C@@]1(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)CCCO1	ZINC000852363691	ED	On-Demand	Reactive	SCN10A	19	44
O=C(NCc1cc(F)cnc1Cl)NCc1cccc(OC2CC2)c1F	ZINC000852363714	FH	On-Demand	Anodyne	P2RX7	72	39
C[C@@H]1CCN(C(=O)NCC(C)(C)c2ccccn2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852363804	GE	On-Demand	Anodyne	SFRP1	57	35
O=C(NCc1cc(F)cnc1Cl)N1CC[C@@H]2C[C@@H]2C1	ZINC000852363806	CE	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1cc(F)cnc1Cl)N1CC[C@@H]2C[C@H]2C1	ZINC000852363808	CE	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1cc(F)cnc1Cl)N1CC[C@H]2C[C@@H]2C1	ZINC000852363810	CE	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1cc(F)cnc1Cl)N1CC[C@H]2C[C@H]2C1	ZINC000852363812	CE	On-Demand	Anodyne	EPHX2	15	43
O=C(NCc1cc(F)cnc1Cl)NC[C@H]1CCCN(CC2CC2)C1	ZINC000852363814	FF	On-Demand	Anodyne	CCR3	76	38
O=C(NCc1cc(F)cnc1Cl)NC[C@@H]1CCCN(CC2CC2)C1	ZINC000852363816	FF	On-Demand	Anodyne	CCR3	76	38
O=C(NCc1cc(F)cnc1Cl)N1CCC(c2ccon2)CC1	ZINC000852363846	EF	On-Demand	Anodyne	EPHX2	17	43
CC[C@@H](C)[C@H](CNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1)OC	ZINC000852363869	EE	On-Demand	Anodyne	GPR119	22	40
O=C(N[C@@H]1CCn2ccnc21)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852363915	FE	On-Demand	Anodyne	SSTR3	29	44
O=C(N[C@H]1CCn2ccnc21)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852363918	FE	On-Demand	Anodyne	SSTR3	29	44
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1cc(F)cnc1Cl	ZINC000852364003	FH	On-Demand	Anodyne	P2RX7	62	44
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1cc(F)cnc1Cl	ZINC000852364007	FH	On-Demand	Anodyne	P2RX7	62	44
O=C(N[C@H]1CCn2ccnc21)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852364017	FG	On-Demand	Anodyne	KCNH2	40	38
O=C(N[C@H]1CCn2ccnc21)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852364017	FG	On-Demand	Anodyne	EPHX2	16	42
O=C(N[C@@H]1CCn2ccnc21)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852364020	FG	On-Demand	Anodyne	KCNH2	40	38
O=C(N[C@@H]1CCn2ccnc21)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852364020	FG	On-Demand	Anodyne	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccnc(C)c3)C2)cc1	ZINC000852364023	EE	On-Demand	Clean	MCHR1	18	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NC(CF)CF)C2)CC1	ZINC000852364082	GG	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NC(CF)CF)C2)CC1	ZINC000852364083	GG	On-Demand	Anodyne	GPR119	36	45
C#Cc1ccc(CNC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1	ZINC000852364140	GD	On-Demand	Mild	NPSR1	26	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](Cc3ccccc3)OC)C2)cc1	ZINC000852364217	GF	On-Demand	Clean	SIGMAR1	20	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](Cc3ccccc3)OC)C2)cc1	ZINC000852364217	GF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](Cc3ccccc3)OC)C2)cc1	ZINC000852364217	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](Cc3ccccc3)OC)C2)cc1	ZINC000852364217	GF	On-Demand	Clean	MCHR1	16	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](Cc3ccccc3)OC)C2)cc1	ZINC000852364222	GF	On-Demand	Clean	SIGMAR1	20	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](Cc3ccccc3)OC)C2)cc1	ZINC000852364222	GF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](Cc3ccccc3)OC)C2)cc1	ZINC000852364222	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](Cc3ccccc3)OC)C2)cc1	ZINC000852364222	GF	On-Demand	Clean	MCHR1	16	41
C#Cc1ccc(CNC(=O)N2CCC[C@@H]2CS(C)(=O)=O)cc1	ZINC000852364274	DD	On-Demand	Mild	TMPRSS11D	54	34
CC[C@H](C)[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852364281	EF	On-Demand	Clean	MTNR1A	22	48
CC[C@H](C)[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852364281	EF	On-Demand	Clean	MTNR1B	22	48
CC[C@H](C)[C@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852364283	EF	On-Demand	Clean	MTNR1A	22	48
CC[C@H](C)[C@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852364283	EF	On-Demand	Clean	MTNR1B	22	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(C(F)(F)F)n3)C2)cc1	ZINC000852364290	GG	On-Demand	Clean	CCR2	31	43
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(C(F)(F)F)n3)C2)cc1	ZINC000852364290	GG	On-Demand	Clean	EPHX2	40	36
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(C(F)(F)F)n3)C2)cc1	ZINC000852364290	GG	On-Demand	Clean	MCHR1	16	40
C#Cc1ccc(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1	ZINC000852364312	EF	On-Demand	Mild	CCR3	68	37
C#Cc1ccc(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1	ZINC000852364313	EF	On-Demand	Mild	CCR3	68	37
O=C(N[C@H](CO)c1ccc(F)cc1F)N[C@@H]1CCn2ccnc21	ZINC000852364326	DD	On-Demand	Anodyne	MAPK1	41	33
O=C(N[C@@H](CO)c1ccc(F)cc1F)N[C@@H]1CCn2ccnc21	ZINC000852364327	DD	On-Demand	Anodyne	MAPK1	41	33
O=C(N[C@H](CO)c1ccc(F)cc1F)N[C@H]1CCn2ccnc21	ZINC000852364328	DD	On-Demand	Anodyne	MAPK1	41	33
O=C(N[C@H]1CCn2ccnc21)N[C@@H](CO)c1ccc(F)cc1F	ZINC000852364329	DD	On-Demand	Anodyne	MAPK1	41	33
O=C(NCc1cc(F)cnc1Cl)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852364337	GH	On-Demand	Anodyne	P2RX7	66	39
O=C(NCc1cc(F)cnc1Cl)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852364337	GH	On-Demand	Anodyne	EPHX2	21	41
O=C(NCc1cc(F)cnc1Cl)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852364338	GH	On-Demand	Anodyne	P2RX7	66	39
O=C(NCc1cc(F)cnc1Cl)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852364338	GH	On-Demand	Anodyne	EPHX2	21	41
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cc(F)cnc2Cl)O1	ZINC000852364377	FC	On-Demand	Reactive	P2RX7	60	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cc(F)cnc2Cl)O1	ZINC000852364379	FC	On-Demand	Reactive	P2RX7	60	40
C[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852364387	GI	On-Demand	Anodyne	LTA4H	46	39
C[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852364387	GI	On-Demand	Anodyne	KCNQ2	50	52
C[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852364387	GI	On-Demand	Anodyne	PRNP	48	38
C[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852364387	GI	On-Demand	Anodyne	EPHX2	21	43
O=C(NCc1cc(F)cnc1Cl)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852364391	GH	On-Demand	Anodyne	EPHX2	19	48
O=C(NCc1cc(F)cnc1Cl)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852364391	GH	On-Demand	Anodyne	SCD1	20	41
O=C(NCc1cc(F)cnc1Cl)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852364391	GH	On-Demand	Anodyne	TRPM8	23	48
CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)NCc1cc(F)cnc1Cl	ZINC000852364395	GD	On-Demand	Anodyne	P2RX7	55	41
CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1cc(F)cnc1Cl	ZINC000852364396	GD	On-Demand	Anodyne	P2RX7	55	41
CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)NCc1cc(F)cnc1Cl	ZINC000852364397	GD	On-Demand	Anodyne	P2RX7	55	41
CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)NCc1cc(F)cnc1Cl	ZINC000852364398	GD	On-Demand	Anodyne	P2RX7	55	41
O=C(NCc1cc(F)cnc1Cl)N1CC[C@@H](C2CCCCC2)C1	ZINC000852364410	EH	On-Demand	Anodyne	EPHX2	17	42
O=C(NCc1cc(F)cnc1Cl)N1CC[C@H](C2CCCCC2)C1	ZINC000852364411	EH	On-Demand	Anodyne	EPHX2	17	42
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NC(CF)CF)CC2)C1	ZINC000852364461	GG	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NC(CF)CF)CC2)C1	ZINC000852364462	GG	On-Demand	Anodyne	GPR119	23	40
COC(=O)c1ccc(CNC(=O)NNC(=O)[C@]2(C)CCCO2)c(F)c1	ZINC000852364465	FD	On-Demand	Reactive	BDKRB1	22	40
COC(=O)c1ccc(CNC(=O)NNC(=O)[C@@]2(C)CCCO2)c(F)c1	ZINC000852364466	FD	On-Demand	Reactive	BDKRB1	22	40
C#Cc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852364577	EF	On-Demand	Mild	TRPV1	15	40
C#Cc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852364577	EF	On-Demand	Mild	SCN2A	19	46
C#Cc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852364577	EF	On-Demand	Mild	SCN10A	20	46
C#Cc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852364577	EF	On-Demand	Mild	NAMPT	38	43
O=C(NC[C@H]1CCCN(CC2CC2)C1)N[C@H]1CCn2ccnc21	ZINC000852364590	DD	On-Demand	Anodyne	CCR3	67	35
O=C(NC[C@H]1CCCN(CC2CC2)C1)N[C@@H]1CCn2ccnc21	ZINC000852364595	DD	On-Demand	Anodyne	CCR3	67	35
O=C(NCc1cc(F)cnc1Cl)N1CCC[C@@H](C2CCC2)C1	ZINC000852364626	EH	On-Demand	Anodyne	P2RX7	28	40
O=C(NCc1cc(F)cnc1Cl)N1CCC[C@H](C2CCC2)C1	ZINC000852364630	EH	On-Demand	Anodyne	P2RX7	28	40
COc1ccc(N2CC[C@H](NC(=O)NC(CF)CF)C2)cc1	ZINC000852364631	DD	On-Demand	Clean	MTNR1A	16	49
COc1ccc(N2CC[C@H](NC(=O)NC(CF)CF)C2)cc1	ZINC000852364631	DD	On-Demand	Clean	MTNR1B	17	49
COc1ccc(N2CC[C@H](NC(=O)NC(CF)CF)C2)cc1	ZINC000852364631	DD	On-Demand	Clean	MCHR1	17	43
CCSC1(CNC(=O)NCc2cc(F)cnc2Cl)CC1	ZINC000852364634	DF	On-Demand	Anodyne	P2RX7	46	38
Cn1ncc(C2CC2)c1CNC(=O)NCc1cc(F)cnc1Cl	ZINC000852364728	EE	On-Demand	Anodyne	P2RX7	59	47
CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1cc(F)cnc1Cl	ZINC000852364730	DG	On-Demand	Anodyne	P2RX7	59	39
CCC(CC)(CNC(=O)N[C@H]1CCn2ccnc21)c1ccc(F)cc1	ZINC000852364744	EH	On-Demand	Anodyne	CACNA1G	43	49
CCC(CC)(CNC(=O)N[C@@H]1CCn2ccnc21)c1ccc(F)cc1	ZINC000852364745	EH	On-Demand	Anodyne	CACNA1G	43	49
C[C@@]1(CNC(=O)NCc2cc(F)cnc2Cl)CC1(F)F	ZINC000852364755	DF	On-Demand	Anodyne	P2RX7	44	37
Cc1cccc2c1CCC[C@@H]2NC(=O)NCc1cc(F)cnc1Cl	ZINC000852364770	EI	On-Demand	Anodyne	P2RX7	53	36
Cc1cccc2c1CCC[C@H]2NC(=O)NCc1cc(F)cnc1Cl	ZINC000852364771	EI	On-Demand	Anodyne	P2RX7	53	36
O=C(N[C@H]1CCn2ccnc21)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852364772	FF	On-Demand	Anodyne	EPHX2	15	57
O=C(N[C@H]1CCn2ccnc21)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852364772	FF	On-Demand	Anodyne	TRPM8	24	49
O=C(N[C@@H]1CCn2ccnc21)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852364773	FF	On-Demand	Anodyne	EPHX2	15	57
O=C(N[C@@H]1CCn2ccnc21)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852364773	FF	On-Demand	Anodyne	TRPM8	24	49
C#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852364785	FF	On-Demand	Mild	ACHE	24	44
C#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852364785	FF	On-Demand	Mild	HTR4	28	40
C#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852364785	FF	On-Demand	Mild	HRH3	15	46
C#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852364785	FF	On-Demand	Mild	SIGMAR1	28	45
C#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852364785	FF	On-Demand	Mild	CCR3	30	40
C#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852364785	FF	On-Demand	Mild	MCHR1	15	41
C#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852364785	FF	On-Demand	Mild	CACNA1I	61	42
C#Cc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852364785	FF	On-Demand	Mild	NAMPT	41	37
O=C(NC(CF)CF)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852364786	DG	On-Demand	Anodyne	PNMT	15	49
O=C(NC(CF)CF)N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852364786	DG	On-Demand	Anodyne	MAPK1	49	37
COc1cccc(OC)c1CNC(=O)NC(CF)CF	ZINC000852364885	CD	On-Demand	Anodyne	ANPEP	15	46
C[C@@]1(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)CCCO1	ZINC000852364888	ED	On-Demand	Reactive	DRD2	18	45
C[C@@]1(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)CCCO1	ZINC000852364888	ED	On-Demand	Reactive	SIGMAR1	23	42
C[C@@]1(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CCCO1	ZINC000852364889	ED	On-Demand	Reactive	DRD2	18	45
C[C@@]1(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CCCO1	ZINC000852364889	ED	On-Demand	Reactive	SIGMAR1	23	42
C[C@@]1(C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CCCO1	ZINC000852364892	GD	On-Demand	Reactive	SSTR3	30	45
CCC(CC)(CNC(=O)NNC(=O)[C@@]1(C)CCCO1)c1ccc(F)cc1	ZINC000852364918	FF	On-Demand	Reactive	CACNA1G	35	43
CCC(CC)(CNC(=O)NNC(=O)[C@]1(C)CCCO1)c1ccc(F)cc1	ZINC000852364919	FF	On-Demand	Reactive	CACNA1G	35	43
C#Cc1ccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1	ZINC000852364982	FH	On-Demand	Mild	SCD	22	40
C#Cc1ccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)cc1	ZINC000852364982	FH	On-Demand	Mild	TRPM8	20	50
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccc(C(F)(F)F)n1	ZINC000852364993	GD	On-Demand	Anodyne	TRPV1	48	31
COC(=O)N(C)CCNC(=O)NCCOc1ccc(Cl)c(Cl)c1	ZINC000852364994	FE	On-Demand	Anodyne	MTNR1A	25	40
COC(=O)N(C)CCNC(=O)NCCOc1ccc(Cl)c(Cl)c1	ZINC000852364994	FE	On-Demand	Anodyne	MTNR1B	16	40
C#Cc1ccc(CNC(=O)N2CCN([C@H]3CCOC3)CC2)cc1	ZINC000852365003	DD	On-Demand	Mild	NAMPT	23	44
C#Cc1ccc(CNC(=O)N2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000852365004	DD	On-Demand	Mild	NAMPT	23	44
C[C@@H](NC(=O)NCCc1noc2ccccc12)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365076	GF	On-Demand	Anodyne	FPR1	40	33
CC[C@H](C)[C@H](CNC(=O)N1CCC(NC(=O)OC)CC1)OC	ZINC000852365098	DD	On-Demand	Anodyne	EPHX2	17	40
CC[C@@H](C)[C@H](CNC(=O)N1CCC(NC(=O)OC)CC1)OC	ZINC000852365101	DD	On-Demand	Anodyne	EPHX2	17	40
C#Cc1ccc(CNC(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc1	ZINC000852365110	CE	On-Demand	Mild	NPSR1	26	40
C#Cc1ccc(CNC(=O)N2CCc3cc(OC)ccc3C2)cc1	ZINC000852365118	DF	On-Demand	Mild	DRD4	40	31
C#Cc1ccc(CNC(=O)N2CCc3cc(OC)ccc3C2)cc1	ZINC000852365118	DF	On-Demand	Mild	DRD5	18	41
C#Cc1ccc(CNC(=O)N2CCc3cc(OC)ccc3C2)cc1	ZINC000852365118	DF	On-Demand	Mild	MMP13	16	41
C#Cc1ccc(CNC(=O)N2CCc3cc(OC)ccc3C2)cc1	ZINC000852365118	DF	On-Demand	Mild	MTNR1A	21	40
C#Cc1ccc(CNC(=O)N2CCc3cc(OC)ccc3C2)cc1	ZINC000852365118	DF	On-Demand	Mild	MTNR1B	24	40
C#Cc1ccc(CNC(=O)N2CCc3cc(OC)ccc3C2)cc1	ZINC000852365118	DF	On-Demand	Mild	NAMPT	25	43
O=C(NCc1cccc(C(F)(F)F)n1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852365146	GG	On-Demand	Anodyne	TRPV1	79	35
O=C(NCc1cccc(C(F)(F)F)n1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852365147	GG	On-Demand	Anodyne	TRPV1	79	35
C#Cc1ccc(CNC(=O)N[C@@H](C(C)C)C2CC2)cc1	ZINC000852365176	CF	On-Demand	Mild	ANPEP	15	40
C#Cc1ccc(CNC(=O)N[C@H](C(C)C)C2CC2)cc1	ZINC000852365177	CF	On-Demand	Mild	ANPEP	15	40
C#Cc1ccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852365263	EF	On-Demand	Mild	SIGMAR1	23	45
C#Cc1ccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852365264	EF	On-Demand	Mild	SIGMAR1	23	45
CO[C@H](CNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)Cc1ccccc1	ZINC000852365378	GG	On-Demand	Anodyne	PAPA1_CARPA	47	45
CO[C@H](CNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)Cc1ccccc1	ZINC000852365378	GG	On-Demand	Anodyne	TACR3	16	41
CO[C@H](CNC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)Cc1ccccc1	ZINC000852365378	GG	On-Demand	Anodyne	FPR1	46	38
C#Cc1ccc(CNC(=O)N2CC3CC2(c2ccccc2)C3)cc1	ZINC000852365387	DG	On-Demand	Mild	NPSR1	26	41
C#C[C@H](NC(=O)NCCOc1ccc(Cl)c(Cl)c1)C1CCOCC1	ZINC000852365412	FG	On-Demand	Mild	TPSAB1	41	36
C#C[C@@H](NC(=O)NCCOc1ccc(Cl)c(Cl)c1)C1CCOCC1	ZINC000852365413	FG	On-Demand	Mild	TPSAB1	41	36
C#Cc1ccc(CNC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852365464	EF	On-Demand	Mild	CCR3	30	41
C#Cc1ccc(CNC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852365464	EF	On-Demand	Mild	CACNA1I	60	40
C#Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1	ZINC000852365487	EE	On-Demand	Mild	DPP7	62	38
C#Cc1ccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1	ZINC000852365487	EE	On-Demand	Mild	TMPRSS11D	43	33
C#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1	ZINC000852365488	EE	On-Demand	Mild	DPP7	62	38
C#Cc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1	ZINC000852365488	EE	On-Demand	Mild	TMPRSS11D	43	33
CC[C@@H](C)[C@H](CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)OC	ZINC000852365513	GH	On-Demand	Anodyne	PDS	53	33
CC[C@H](C)[C@H](CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)OC	ZINC000852365516	GH	On-Demand	Anodyne	PDS	53	33
CC[C@@H](CNC(=O)NCCC(C)(C)F)NC(=O)OC(C)(C)C	ZINC000852365566	DF	On-Demand	Anodyne	CTSK	15	41
O=C(NC[C@H]1CCCO1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852365582	GE	On-Demand	Anodyne	EPHX2	23	41
COCCCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365583	JF	On-Demand	Anodyne	CPT1A	57	47
COCCCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365583	JF	On-Demand	Anodyne	CPT2	43	42
COCCCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365583	JF	On-Demand	Anodyne	CPT1B	56	45
COCCCNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365584	JF	On-Demand	Anodyne	CPT1A	57	47
COCCCNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365584	JF	On-Demand	Anodyne	CPT2	43	42
COCCCNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365584	JF	On-Demand	Anodyne	CPT1B	56	45
CC[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852365694	GE	On-Demand	Anodyne	PYGL	32	43
CC[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852365694	GE	On-Demand	Anodyne	PYGM	28	43
CC[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852365694	GE	On-Demand	Anodyne	TPP2	43	32
CC[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852365696	GE	On-Demand	Anodyne	PYGL	32	43
CC[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852365696	GE	On-Demand	Anodyne	PYGM	28	43
CC[C@@H](CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O)NC(=O)OC(C)(C)C	ZINC000852365696	GE	On-Demand	Anodyne	TPP2	43	32
O=C(NC[C@H]1CCCO1)NNc1ccc(Cl)cn1	ZINC000852365722	CD	On-Demand	Reactive	TNK2	33	41
CC[C@@H](CNC(=O)N[C@H](CC)C1CC1)NC(=O)OC(C)(C)C	ZINC000852365754	DF	On-Demand	Anodyne	CTSK	15	42
CC[C@@H](CNC(=O)N[C@@H](CC)C1CC1)NC(=O)OC(C)(C)C	ZINC000852365755	DF	On-Demand	Anodyne	CTSK	15	42
C[C@H](NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852365766	GG	On-Demand	Anodyne	FPR1	44	34
C[C@@H](NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365767	GG	On-Demand	Anodyne	FPR1	44	34
C[C@H](NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365768	GG	On-Demand	Anodyne	FPR1	44	34
C=CCCNC(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C	ZINC000852365776	CE	On-Demand	Mild	CTSK	16	45
C=CCCNC(=O)NC[C@H](CC)NC(=O)OC(C)(C)C	ZINC000852365777	CE	On-Demand	Mild	CTSK	16	45
C=CCCNC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365797	CE	On-Demand	Mild	CTSK	17	45
C=CCCNC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852365798	CE	On-Demand	Mild	CTSK	17	45
C=CCCNC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852365799	CE	On-Demand	Mild	CTSK	17	45
C=CCCNC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365800	CE	On-Demand	Mild	CTSK	17	45
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852365805	GG	On-Demand	Anodyne	FPR1	45	36
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852365805	GG	On-Demand	Anodyne	SFRP1	118	39
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852365805	GG	On-Demand	Anodyne	WNT3	83	38
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852365808	GG	On-Demand	Anodyne	FPR1	45	36
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852365808	GG	On-Demand	Anodyne	SFRP1	118	39
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852365808	GG	On-Demand	Anodyne	WNT3	83	38
C[C@@H](NC(=O)NCCc1ccoc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365819	EE	On-Demand	Anodyne	CTSK	15	45
C[C@@H](NC(=O)NCCc1ccoc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365819	EE	On-Demand	Anodyne	FPR1	42	34
CC[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852365824	GF	On-Demand	Anodyne	KCNQ2	41	31
CC[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852365824	GF	On-Demand	Anodyne	SCN2A	17	41
CC[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852365824	GF	On-Demand	Anodyne	PGA	20	40
CC[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852365824	GF	On-Demand	Anodyne	REN	50	36
CC[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852365824	GF	On-Demand	Anodyne	CTSE	15	40
CC[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852365824	GF	On-Demand	Anodyne	SCN10A	32	41
CC[C@@H](CNC(=O)NCc1cccnc1N1CCCC1)NC(=O)OC(C)(C)C	ZINC000852365824	GF	On-Demand	Anodyne	FPR1	41	33
COc1cccc(OC)c1CNC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365838	GF	On-Demand	Anodyne	PAPA1_CARPA	37	40
COc1cccc(OC)c1CNC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852365839	GF	On-Demand	Anodyne	PAPA1_CARPA	37	40
COc1cccc(OC)c1CNC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365840	GF	On-Demand	Anodyne	PAPA1_CARPA	37	40
COc1cccc(OC)c1CNC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852365841	GF	On-Demand	Anodyne	PAPA1_CARPA	37	40
CC[C@@H](CNC(=O)N[C@@H](C(C)C)C1CC1)NC(=O)OC(C)(C)C	ZINC000852365849	EG	On-Demand	Anodyne	CTSK	15	40
CC[C@@H](CNC(=O)N[C@H](C(C)C)C1CC1)NC(=O)OC(C)(C)C	ZINC000852365851	EG	On-Demand	Anodyne	CTSK	15	40
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000852365853	EE	On-Demand	Anodyne	CTSK	15	42
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000852365854	EE	On-Demand	Anodyne	CTSK	15	42
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000852365855	EE	On-Demand	Anodyne	CTSK	15	42
CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000852365856	EE	On-Demand	Anodyne	CTSK	15	42
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852365864	GF	On-Demand	Anodyne	CACNA1I	60	38
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365865	GF	On-Demand	Anodyne	CACNA1I	60	38
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365866	GF	On-Demand	Anodyne	CACNA1I	60	38
COc1ccc(N2CC[C@H](NC(=O)NCc3ccnc(C(F)(F)F)c3)C2)cc1	ZINC000852365869	GG	On-Demand	Clean	CCR2	29	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccnc(C(F)(F)F)c3)C2)cc1	ZINC000852365869	GG	On-Demand	Clean	MCHR1	25	45
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CC2CC1(c1ccccc1)C2	ZINC000852365944	FH	On-Demand	Anodyne	FPR1	45	36
CC[C@@H](CNC(=O)NCCc1ccnc2ccccc12)NC(=O)OC(C)(C)C	ZINC000852365945	GG	On-Demand	Anodyne	MTNR1A	18	42
CC[C@@H](CNC(=O)NCC1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C	ZINC000852365951	GF	On-Demand	Anodyne	CACNA1I	51	34
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365957	JH	On-Demand	Mild	CPT1A	44	43
C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365957	JH	On-Demand	Mild	CPT1B	43	42
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365958	JH	On-Demand	Mild	CPT1A	44	43
C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1	ZINC000852365958	JH	On-Demand	Mild	CPT1B	43	42
COC(=O)N(C)CCNC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365959	ED	On-Demand	Anodyne	CTSK	16	42
COC(=O)N(C)CCNC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852365960	ED	On-Demand	Anodyne	CTSK	16	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852365961	ED	On-Demand	Anodyne	CTSK	16	42
COC(=O)N(C)CCNC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852365962	ED	On-Demand	Anodyne	CTSK	16	42
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CCC[C@@H](CC#N)C1	ZINC000852365992	EF	On-Demand	Mild	CTSK	15	44
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CCC[C@H](CC#N)C1	ZINC000852365993	EF	On-Demand	Mild	CTSK	15	44
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000852365995	EG	On-Demand	Mild	CTSK	16	45
C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000852365996	EG	On-Demand	Mild	CTSK	16	45
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000852365997	EG	On-Demand	Mild	CTSK	16	45
C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000852365998	EG	On-Demand	Mild	CTSK	16	45
C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366046	EF	On-Demand	Anodyne	CTSK	15	40
C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852366049	EF	On-Demand	Anodyne	CTSK	15	40
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366146	FF	On-Demand	Mild	PAPA1_CARPA	42	44
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366146	FF	On-Demand	Mild	CTSK	16	44
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366146	FF	On-Demand	Mild	CTRB_BOVIN	57	39
C=C[C@H](CO)NC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852366147	DD	On-Demand	Mild	CTSK	20	47
C=C[C@H](CO)NC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366148	DD	On-Demand	Mild	CTSK	20	47
C=C[C@H](CO)NC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366149	DD	On-Demand	Mild	CTSK	20	47
C=C[C@H](CO)NC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852366150	DD	On-Demand	Mild	CTSK	20	47
CC[C@H]1CCC[C@H]1CNC(=O)NC[C@@H](O)c1ccccc1OC	ZINC000852366160	DF	On-Demand	Anodyne	ADRB2	18	48
CC[C@H]1CCC[C@H]1CNC(=O)NC[C@@H](O)c1ccccc1OC	ZINC000852366160	DF	On-Demand	Anodyne	MBTPS1	44	32
CC[C@H]1CCC[C@@H]1CNC(=O)NC[C@@H](O)c1ccccc1OC	ZINC000852366161	DF	On-Demand	Anodyne	ADRB2	18	48
CC[C@H]1CCC[C@@H]1CNC(=O)NC[C@@H](O)c1ccccc1OC	ZINC000852366161	DF	On-Demand	Anodyne	MBTPS1	44	32
C[C@@H](NC(=O)NCCC(C)(C)F)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366208	DF	On-Demand	Anodyne	CTSK	16	43
C[C@H](NC(=O)NCCC(C)(C)F)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852366210	DF	On-Demand	Anodyne	CTSK	16	43
C[C@H](NC(=O)NCCC(C)(C)F)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366211	DF	On-Demand	Anodyne	CTSK	16	43
CC[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)NC(=O)OC(C)(C)C	ZINC000852366214	GE	On-Demand	Anodyne	SSTR2	40	40
CC[C@@H](CNC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)NC(=O)OC(C)(C)C	ZINC000852366215	GE	On-Demand	Anodyne	SSTR2	40	40
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CCCO1	ZINC000852366310	ED	On-Demand	Clean	TNK2	23	42
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NOC1CCC1	ZINC000852366341	CE	On-Demand	Anodyne	EPHX2	15	48
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCC1	ZINC000852366345	DE	On-Demand	Anodyne	ACHE	35	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCC1	ZINC000852366345	DE	On-Demand	Anodyne	HTR4	50	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCC1	ZINC000852366345	DE	On-Demand	Anodyne	GRIN2B	18	40
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCC1	ZINC000852366345	DE	On-Demand	Anodyne	HRH3	19	47
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCC1	ZINC000852366345	DE	On-Demand	Anodyne	SIGMAR1	28	44
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCC1	ZINC000852366345	DE	On-Demand	Anodyne	SSTR5	40	33
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCC1	ZINC000852366345	DE	On-Demand	Anodyne	CCR3	35	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NOC1CCC1	ZINC000852366345	DE	On-Demand	Anodyne	CACNA1I	64	43
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366437	CG	On-Demand	Anodyne	SLC6A4	17	43
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366437	CG	On-Demand	Anodyne	OPRK1	22	41
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366437	CG	On-Demand	Anodyne	SLC6A3	20	43
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366437	CG	On-Demand	Anodyne	P2RX7	20	45
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366437	CG	On-Demand	Anodyne	CCR3	32	42
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366437	CG	On-Demand	Anodyne	SSTR3	19	44
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366437	CG	On-Demand	Anodyne	EPHX2	15	54
O=C(NCc1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366437	CG	On-Demand	Anodyne	DNAE	78	33
COc1ccc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)cc1S(=O)(=O)N1CCCC1	ZINC000852366443	JD	On-Demand	Anodyne	CPT1A	43	34
COc1ccc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)cc1S(=O)(=O)N1CCCC1	ZINC000852366443	JD	On-Demand	Anodyne	EPHX2	21	42
COc1ccc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)cc1S(=O)(=O)N1CCCC1	ZINC000852366443	JD	On-Demand	Anodyne	L3MBTL3	44	35
O=C(NOC1CCC1)N1CCC(c2ccon2)CC1	ZINC000852366446	CE	On-Demand	Anodyne	SMO	34	41
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NOC1CCC1)CCC2	ZINC000852366471	EF	On-Demand	Anodyne	NQO2	21	41
CC[C@@H](CNC(=O)NCCN(C)C(=O)OC)NC(=O)OC(C)(C)C	ZINC000852366472	ED	On-Demand	Anodyne	CTSK	15	41
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NOC1CCC1)CCC2	ZINC000852366474	EF	On-Demand	Anodyne	NQO2	21	41
C[C@H](NC(=O)N1Cc2ccccc2[C@H]1C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366493	EH	On-Demand	Anodyne	FPR1	41	33
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCC1	ZINC000852366518	CE	On-Demand	Anodyne	DRD2	23	47
O=C(NC[C@@H]1CCN1Cc1ccccc1)NOC1CCC1	ZINC000852366518	CE	On-Demand	Anodyne	SIGMAR1	32	45
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCC1	ZINC000852366520	CE	On-Demand	Anodyne	DRD2	23	47
O=C(NC[C@H]1CCN1Cc1ccccc1)NOC1CCC1	ZINC000852366520	CE	On-Demand	Anodyne	SIGMAR1	32	45
O=C(NCC1CCN(CC2CC2)CC1)NOC1CCC1	ZINC000852366541	CD	On-Demand	Anodyne	HTR4	20	42
O=C(NCC1CCN(CC2CC2)CC1)NOC1CCC1	ZINC000852366541	CD	On-Demand	Anodyne	CACNA1I	50	35
CC[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852366586	FF	On-Demand	Mild	PAPA1_CARPA	36	41
CC[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C	ZINC000852366586	FF	On-Demand	Mild	CTRB_BOVIN	55	36
O=C(NOC1CCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852366592	DG	On-Demand	Anodyne	KCNH2	46	46
O=C(NOC1CCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852366592	DG	On-Demand	Anodyne	EPHX2	21	42
O=C(NOC1CCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852366592	DG	On-Demand	Anodyne	GLRA1	43	32
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366596	DF	On-Demand	Anodyne	ADRB1	22	48
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366596	DF	On-Demand	Anodyne	SLC6A3	15	45
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366596	DF	On-Demand	Anodyne	ADRB3	27	43
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366598	DF	On-Demand	Anodyne	ADRB1	22	48
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366598	DF	On-Demand	Anodyne	SLC6A3	15	45
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NOC1CCC1	ZINC000852366598	DF	On-Demand	Anodyne	ADRB3	27	43
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOC1CCC1	ZINC000852366612	DF	On-Demand	Anodyne	DRD2	16	42
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NOC1CCC1	ZINC000852366612	DF	On-Demand	Anodyne	CACNA1I	56	34
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOC1CCC1	ZINC000852366614	DF	On-Demand	Anodyne	DRD2	16	42
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NOC1CCC1	ZINC000852366614	DF	On-Demand	Anodyne	CACNA1I	56	34
COc1ccc(C(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1	ZINC000852366675	JE	On-Demand	Anodyne	CPT1A	47	32
COc1ccc(C(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1	ZINC000852366675	JE	On-Demand	Anodyne	CPT2	41	31
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NOC1CCC1	ZINC000852366684	CF	On-Demand	Anodyne	CCR3	45	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)NOC1CCC1	ZINC000852366686	CF	On-Demand	Anodyne	CCR3	45	34
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NOC3CCC3)CC2)C1	ZINC000852366719	GH	On-Demand	Anodyne	GPR119	27	42
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NOC3CCC3)CC2)C1	ZINC000852366720	GH	On-Demand	Anodyne	GPR119	27	42
C[C@H](NC(=O)NCC1=CCCC1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366748	DF	On-Demand	Anodyne	FPR1	36	42
C[C@H](NC(=O)NCC1=CCCC1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852366749	DF	On-Demand	Anodyne	FPR1	36	42
C[C@@H](NC(=O)NCC1=CCCC1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366750	DF	On-Demand	Anodyne	FPR1	36	42
O=C(NCCc1ccnc2ccccc12)NOC1CCC1	ZINC000852366845	CF	On-Demand	Anodyne	MTNR1A	30	43
O=C(NCCc1ccnc2ccccc12)NOC1CCC1	ZINC000852366845	CF	On-Demand	Anodyne	MTNR1B	21	43
COCCN(CCF)C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852366865	ED	On-Demand	Anodyne	CTSK	15	46
COCCN(CCF)C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366871	ED	On-Demand	Anodyne	CTSK	15	46
COCCN(CCF)C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852366873	ED	On-Demand	Anodyne	CTSK	15	46
COCCN(CCF)C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366875	ED	On-Demand	Anodyne	CTSK	15	46
C[C@@H](NC(=O)NCC(F)(F)C(C)(C)C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366905	FG	On-Demand	Anodyne	CTSK	16	41
C[C@H](NC(=O)NCC(F)(F)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852366909	FG	On-Demand	Anodyne	CTSK	16	41
C[C@H](NC(=O)NCC(F)(F)C(C)(C)C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852366935	FG	On-Demand	Anodyne	CTSK	16	41
O=C(NCc1cccnc1N1CCCC1)NOC1CCC1	ZINC000852366936	CD	On-Demand	Anodyne	TRPV1	16	41
O=C(NCc1cccnc1N1CCCC1)NOC1CCC1	ZINC000852366936	CD	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NOC1CCC1	ZINC000852366936	CD	On-Demand	Anodyne	EPHX2	20	42
O=C(NCc1cccnc1N1CCCC1)NOC1CCC1	ZINC000852366936	CD	On-Demand	Anodyne	SCN10A	20	45
N#Cc1ccc(CCNC(=O)NOC2CCC2)cc1	ZINC000852366953	CD	On-Demand	Mild	GPBAR1	32	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NOC2CCC2)C1	ZINC000852366957	CE	On-Demand	Anodyne	CHRM1	23	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NOC2CCC2)C1	ZINC000852366957	CE	On-Demand	Anodyne	AMY2	45	33
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOC2CCC2)C1	ZINC000852366959	CE	On-Demand	Anodyne	CHRM1	23	41
CN(c1ccccc1)[C@@H]1CCN(C(=O)NOC2CCC2)C1	ZINC000852366959	CE	On-Demand	Anodyne	AMY2	45	33
O=C(NOC1CCC1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852366967	GF	On-Demand	Anodyne	EPHX2	25	47
C[C@@H](NC(=O)NCCc1ccnc2ccccc12)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367028	GG	On-Demand	Anodyne	MTNR1A	23	43
C[C@@H](NC(=O)NCCc1ccnc2ccccc12)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367028	GG	On-Demand	Anodyne	MTNR1B	16	43
C[C@@H](NC(=O)NCCc1ccnc2ccccc12)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367028	GG	On-Demand	Anodyne	FPR1	40	34
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367044	GF	On-Demand	Anodyne	PAPA1_CARPA	37	41
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367044	GF	On-Demand	Anodyne	CTSK	20	48
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367044	GF	On-Demand	Anodyne	SOAT1	20	51
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367044	GF	On-Demand	Anodyne	REN	44	39
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367044	GF	On-Demand	Anodyne	FPR1	48	38
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367045	GF	On-Demand	Anodyne	PAPA1_CARPA	37	41
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367045	GF	On-Demand	Anodyne	CTSK	20	48
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367045	GF	On-Demand	Anodyne	SOAT1	20	51
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367045	GF	On-Demand	Anodyne	REN	44	39
C[C@H](NC(=O)NC[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367045	GF	On-Demand	Anodyne	FPR1	48	38
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367047	GF	On-Demand	Anodyne	PAPA1_CARPA	37	41
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367047	GF	On-Demand	Anodyne	CTSK	20	48
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367047	GF	On-Demand	Anodyne	SOAT1	20	51
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367047	GF	On-Demand	Anodyne	REN	44	39
C[C@H](NC(=O)NC[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367047	GF	On-Demand	Anodyne	FPR1	48	38
CO[C@@H](C)CNC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367057	DD	On-Demand	Anodyne	CTSK	17	47
CO[C@@H](C)CNC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367059	DD	On-Demand	Anodyne	CTSK	17	47
CO[C@@H](C)CNC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367061	DD	On-Demand	Anodyne	CTSK	17	47
CO[C@@H](C)CNC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367062	DD	On-Demand	Anodyne	CTSK	17	47
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367102	GF	On-Demand	Anodyne	PGC	52	34
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367102	GF	On-Demand	Anodyne	SIGMAR1	18	41
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367102	GF	On-Demand	Anodyne	PAPA1_CARPA	33	41
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367102	GF	On-Demand	Anodyne	CCKAR	18	42
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367102	GF	On-Demand	Anodyne	CTSK	18	42
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367102	GF	On-Demand	Anodyne	CTSL	15	41
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367102	GF	On-Demand	Anodyne	REN	56	39
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367102	GF	On-Demand	Anodyne	FPR1	51	39
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367104	GF	On-Demand	Anodyne	PGC	52	34
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367104	GF	On-Demand	Anodyne	SIGMAR1	18	41
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367104	GF	On-Demand	Anodyne	PAPA1_CARPA	33	41
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367104	GF	On-Demand	Anodyne	CCKAR	18	42
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367104	GF	On-Demand	Anodyne	CTSK	18	42
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367104	GF	On-Demand	Anodyne	CTSL	15	41
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367104	GF	On-Demand	Anodyne	REN	56	39
C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367104	GF	On-Demand	Anodyne	FPR1	51	39
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367106	GF	On-Demand	Anodyne	PGC	52	34
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367106	GF	On-Demand	Anodyne	SIGMAR1	18	41
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367106	GF	On-Demand	Anodyne	PAPA1_CARPA	33	41
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367106	GF	On-Demand	Anodyne	CCKAR	18	42
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367106	GF	On-Demand	Anodyne	CTSK	18	42
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367106	GF	On-Demand	Anodyne	CTSL	15	41
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367106	GF	On-Demand	Anodyne	REN	56	39
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367106	GF	On-Demand	Anodyne	FPR1	51	39
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367109	GF	On-Demand	Anodyne	PGC	52	34
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367109	GF	On-Demand	Anodyne	SIGMAR1	18	41
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367109	GF	On-Demand	Anodyne	PAPA1_CARPA	33	41
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367109	GF	On-Demand	Anodyne	CCKAR	18	42
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367109	GF	On-Demand	Anodyne	CTSK	18	42
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367109	GF	On-Demand	Anodyne	CTSL	15	41
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367109	GF	On-Demand	Anodyne	REN	56	39
C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367109	GF	On-Demand	Anodyne	FPR1	51	39
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NOC1CCC1	ZINC000852367132	DD	On-Demand	Clean	TPSAB1	17	45
COC(=O)c1ccc(CNC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852367229	GF	On-Demand	Anodyne	PAPA1_CARPA	32	40
COC(=O)c1ccc(CNC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852367229	GF	On-Demand	Anodyne	BDKRB1	25	43
COC(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852367231	GF	On-Demand	Anodyne	PAPA1_CARPA	32	40
COC(=O)c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852367231	GF	On-Demand	Anodyne	BDKRB1	25	43
COC(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852367233	GF	On-Demand	Anodyne	PAPA1_CARPA	32	40
COC(=O)c1ccc(CNC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852367233	GF	On-Demand	Anodyne	BDKRB1	25	43
COC(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852367235	GF	On-Demand	Anodyne	PAPA1_CARPA	32	40
COC(=O)c1ccc(CNC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(F)c1	ZINC000852367235	GF	On-Demand	Anodyne	BDKRB1	25	43
CC[C@@H](CNC(=O)N1CC2CC1(c1ccccc1)C2)NC(=O)OC(C)(C)C	ZINC000852367308	FH	On-Demand	Anodyne	FPR1	42	35
C[C@@H](NC(=O)NCCCOC(C)(C)C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367312	EF	On-Demand	Anodyne	CTSK	18	46
C[C@H](NC(=O)NCCCOC(C)(C)C)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852367314	EF	On-Demand	Anodyne	CTSK	18	46
C[C@H](NC(=O)NCCCOC(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C	ZINC000852367315	EF	On-Demand	Anodyne	CTSK	18	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NOC3CCC3)C2)CC1	ZINC000852367327	GH	On-Demand	Anodyne	GPR119	38	47
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NOC3CCC3)C2)CC1	ZINC000852367328	GH	On-Demand	Anodyne	GPR119	38	47
COc1ccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1	ZINC000852367336	JC	On-Demand	Anodyne	CPT1A	45	35
COc1ccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1	ZINC000852367336	JC	On-Demand	Anodyne	CPT1B	40	33
Cn1cc(CCNC(=O)NOC2CCC2)c2ccccc21	ZINC000852367337	CF	On-Demand	Anodyne	HTR4	31	42
Cn1cc(CCNC(=O)NOC2CCC2)c2ccccc21	ZINC000852367337	CF	On-Demand	Anodyne	MTNR1A	32	43
Cn1cc(CCNC(=O)NOC2CCC2)c2ccccc21	ZINC000852367337	CF	On-Demand	Anodyne	MTNR1B	23	43
COc1cccc(OC)c1CNC(=O)NOC1CCC1	ZINC000852367361	CD	On-Demand	Anodyne	DRD2	16	41
COc1cccc(OC)c1CNC(=O)NOC1CCC1	ZINC000852367361	CD	On-Demand	Anodyne	KCNA3	43	37
O=C(NOC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852367381	DG	On-Demand	Anodyne	EPHX2	17	58
O=C(NOC1CCC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852367381	DG	On-Demand	Anodyne	TRPM8	30	55
COc1cccc([C@]2(C)CCN(C(=O)NOC3CCC3)C2)c1	ZINC000852367392	DF	On-Demand	Anodyne	DRD4	40	31
O=C(NCc1ccc(-c2cccs2)cc1)NOC1CCC1	ZINC000852367394	DH	On-Demand	Anodyne	HDAC1	19	48
O=C(NCc1ccc(-c2cccs2)cc1)NOC1CCC1	ZINC000852367394	DH	On-Demand	Anodyne	HDAC2	15	48
O=C(NCc1ccc(-c2cccs2)cc1)NOC1CCC1	ZINC000852367394	DH	On-Demand	Anodyne	TPSAB1	17	41
O=C(NOC1CCC1)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852367414	CE	On-Demand	Anodyne	EPHX2	48	45
NC(=O)c1cccc2c1CCN(C(=O)NOC1CCC1)C2	ZINC000852367436	CD	On-Demand	Anodyne	PARP1	19	41
COC(=O)c1ccc(CNC(=O)NC[C@]2(C)CC2(Cl)Cl)c(F)c1	ZINC000852367740	FF	On-Demand	Anodyne	BDKRB1	27	40
COC(=O)c1ccc(CNC(=O)NC[C@@]2(C)CC2(Cl)Cl)c(F)c1	ZINC000852367741	FF	On-Demand	Anodyne	BDKRB1	27	40
COC[C@@H](CNC(=O)NCCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852367751	FE	On-Demand	Anodyne	UTS2	41	33
C[C@@]1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1(Cl)Cl	ZINC000852367776	GG	On-Demand	Anodyne	ACHE	33	46
C[C@@]1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1(Cl)Cl	ZINC000852367776	GG	On-Demand	Anodyne	HTR4	48	41
C[C@@]1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1(Cl)Cl	ZINC000852367776	GG	On-Demand	Anodyne	SIGMAR1	27	42
C[C@@]1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1(Cl)Cl	ZINC000852367776	GG	On-Demand	Anodyne	CCR3	33	43
C[C@@]1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1(Cl)Cl	ZINC000852367776	GG	On-Demand	Anodyne	CACNA1I	71	44
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)C1	ZINC000852367809	JD	On-Demand	Anodyne	FDFT1	17	40
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)C1	ZINC000852367810	JD	On-Demand	Anodyne	FDFT1	17	40
COC[C@@H](CNC(=O)N1CCC(NC(=O)OC)CC1)c1ccc(Cl)cc1	ZINC000852367813	GF	On-Demand	Anodyne	EPHX2	25	43
COCCN(CCF)C(=O)NC[C@](C)(OC)c1ccccc1	ZINC000852367839	DE	On-Demand	Anodyne	AMY2	55	36
COCCN(CCF)C(=O)NC[C@@](C)(OC)c1ccccc1	ZINC000852367840	DE	On-Demand	Anodyne	AMY2	55	36
C[C@@]1(CNC(=O)N2CCc3nc(-c4ccccc4)sc3C2)CC1(Cl)Cl	ZINC000852367859	GI	On-Demand	Anodyne	P2RY14	49	38
CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)NCc2ncccn2)C1	ZINC000852368028	FD	On-Demand	Anodyne	GPR119	33	41
CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)NCc2ncccn2)C1	ZINC000852368029	FD	On-Demand	Anodyne	GPR119	33	41
O=C(NCc1ncccn1)NCC1(c2cccc(Cl)c2)CCCCC1	ZINC000852368147	FH	On-Demand	Anodyne	NMBR	51	36
COc1ccc(N2CC[C@H](NC(=O)NCc3nn(C)cc3Cl)C2)cc1	ZINC000852368188	FE	On-Demand	Clean	DRD4	42	34
C[C@@]1(CNC(=O)NCC2CCN(CC3CC3)CC2)CC1(Cl)Cl	ZINC000852368206	EF	On-Demand	Anodyne	CACNA1I	70	37
CCCOc1c(OC)cc(CCNC(=O)NCc2ncccn2)cc1OC	ZINC000852368235	FE	On-Demand	Anodyne	CNR2	23	41
COCCN(CCF)C(=O)NC[C@@H](COC)c1ccc(Cl)cc1	ZINC000852368393	EF	On-Demand	Anodyne	UTS2	41	33
COCCN(CCF)C(=O)NC[C@H](COC)c1ccc(Cl)cc1	ZINC000852368394	EF	On-Demand	Anodyne	UTS2	41	33
C[C@@]1(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC1(Cl)Cl	ZINC000852368412	GI	On-Demand	Anodyne	KCNH2	44	44
O=C(NCCOc1ccc(Cl)c(F)c1)N[C@H]1COC2(CCC2)C1	ZINC000852368510	EF	On-Demand	Anodyne	ENV	41	36
O=C(NCCOc1ccc(Cl)c(F)c1)N[C@@H]1COC2(CCC2)C1	ZINC000852368511	EF	On-Demand	Anodyne	ENV	41	36
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(OC)c3ccccc3)C2)cc1	ZINC000852368545	GG	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(OC)c3ccccc3)C2)cc1	ZINC000852368545	GG	On-Demand	Clean	EPHX2	18	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(OC)c3ccccc3)C2)cc1	ZINC000852368547	GG	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(OC)c3ccccc3)C2)cc1	ZINC000852368547	GG	On-Demand	Clean	EPHX2	18	41
COC[C@@H](CNC(=O)N(C)CCN(C)C(=O)OC)c1ccc(Cl)cc1	ZINC000852368569	FE	On-Demand	Anodyne	UTS2	42	34
COc1ccc(N2CC[C@H](NC(=O)NCCCc3ncccc3C)C2)cc1	ZINC000852368572	FF	On-Demand	Clean	MTNR1A	17	42
COc1ccc(N2CC[C@H](NC(=O)NCCCc3ncccc3C)C2)cc1	ZINC000852368572	FF	On-Demand	Clean	MTNR1B	18	42
COc1ccc([C@@H]2CCCN2C(=O)NC[C@]2(C)CC2(Cl)Cl)cc1F	ZINC000852368649	GI	On-Demand	Anodyne	ACKR3	44	31
COc1ccc([C@@H]2CCCN2C(=O)NC[C@@]2(C)CC2(Cl)Cl)cc1F	ZINC000852368655	GI	On-Demand	Anodyne	ACKR3	44	31
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCC3(F)F)C2)cc1	ZINC000852368662	FG	On-Demand	Clean	MTNR1A	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCC3(F)F)C2)cc1	ZINC000852368662	FG	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCC3(F)F)C2)cc1	ZINC000852368663	FG	On-Demand	Clean	MTNR1A	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCC3(F)F)C2)cc1	ZINC000852368663	FG	On-Demand	Clean	MTNR1B	17	44
C#C[C@H](NC(=O)NCCOc1ccc(Cl)c(F)c1)C1CCOCC1	ZINC000852368686	FF	On-Demand	Mild	TPSAB1	41	34
C#C[C@@H](NC(=O)NCCOc1ccc(Cl)c(F)c1)C1CCOCC1	ZINC000852368687	FF	On-Demand	Mild	TPSAB1	41	34
COC[C@@H](CNC(=O)NNc1ccc(Cl)cn1)c1ccc(Cl)cc1	ZINC000852368702	FG	On-Demand	Reactive	F10	47	31
C[C@@]1(CNC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CC1(Cl)Cl	ZINC000852368749	GI	On-Demand	Anodyne	CACNA1I	41	33
C[C@@]1(CNC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)CC1(Cl)Cl	ZINC000852368754	GI	On-Demand	Anodyne	CACNA1I	41	33
Cc1ccncc1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	ZINC000852368886	GF	On-Demand	Anodyne	GPR119	25	42
Cc1ccncc1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F	ZINC000852368887	GF	On-Demand	Anodyne	GPR119	25	42
C=CC(C)(C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852368918	DF	On-Demand	Mild	MTNR1B	15	48
C=CC(C)(C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852368919	DF	On-Demand	Mild	MTNR1B	15	48
COCCCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000852369038	ID	On-Demand	Anodyne	CPT1A	53	37
COCCCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000852369038	ID	On-Demand	Anodyne	CPT2	45	34
COCCCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000852369038	ID	On-Demand	Anodyne	CPT1B	50	35
COCCCNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000852369042	ID	On-Demand	Anodyne	CPT1A	53	37
COCCCNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000852369042	ID	On-Demand	Anodyne	CPT2	45	34
COCCCNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000852369042	ID	On-Demand	Anodyne	CPT1B	50	35
CCC[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)C	ZINC000852369046	FH	On-Demand	Clean	VHL	40	32
CO[C@@](C)(CNC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccccc1	ZINC000852369076	FF	On-Demand	Anodyne	AMY2	46	32
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC[C@@H]3OC)C2)cc1	ZINC000852369102	FD	On-Demand	Clean	MTNR1A	16	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC[C@@H]3OC)C2)cc1	ZINC000852369102	FD	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC[C@H]3OC)C2)cc1	ZINC000852369105	FD	On-Demand	Clean	MTNR1A	16	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC[C@H]3OC)C2)cc1	ZINC000852369105	FD	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC[C@H]3OC)C2)cc1	ZINC000852369107	FD	On-Demand	Clean	MTNR1A	16	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC[C@H]3OC)C2)cc1	ZINC000852369107	FD	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC[C@@H]3OC)C2)cc1	ZINC000852369109	FD	On-Demand	Clean	MTNR1A	16	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC[C@@H]3OC)C2)cc1	ZINC000852369109	FD	On-Demand	Clean	MTNR1B	15	46
Cn1cc(CCNC(=O)NC[C@]2(C)CC2(Cl)Cl)c2ccccc21	ZINC000852369124	FH	On-Demand	Anodyne	MTNR1A	16	42
Cn1cc(CCNC(=O)NC[C@@]2(C)CC2(Cl)Cl)c2ccccc21	ZINC000852369125	FH	On-Demand	Anodyne	MTNR1A	16	42
C[C@@]1(CNC(=O)NCC2CCN(C3CCOCC3)CC2)CC1(Cl)Cl	ZINC000852369145	GF	On-Demand	Anodyne	CACNA1I	49	33
C[C@@]1(CNC(=O)NCCc2ccnc3ccccc23)CC1(Cl)Cl	ZINC000852369178	FH	On-Demand	Anodyne	MTNR1A	28	42
C[C@@]1(CNC(=O)NCCc2ccnc3ccccc23)CC1(Cl)Cl	ZINC000852369178	FH	On-Demand	Anodyne	MTNR1B	17	42
C[C@@]1(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1(Cl)Cl	ZINC000852369214	FG	On-Demand	Anodyne	DRD2	15	44
C[C@@]1(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1(Cl)Cl	ZINC000852369214	FG	On-Demand	Anodyne	SIGMAR1	30	43
C[C@@]1(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1(Cl)Cl	ZINC000852369215	FG	On-Demand	Anodyne	DRD2	15	44
C[C@@]1(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1(Cl)Cl	ZINC000852369215	FG	On-Demand	Anodyne	SIGMAR1	30	43
CCN1C[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	ZINC000852369240	ED	On-Demand	Clean	MTNR1B	15	48
CCN1C[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	ZINC000852369240	ED	On-Demand	Clean	EPHX2	18	44
CCN1C[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	ZINC000852369241	ED	On-Demand	Clean	MTNR1B	15	48
CCN1C[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1=O	ZINC000852369241	ED	On-Demand	Clean	EPHX2	18	44
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC1CCCCCC1	ZINC000852369271	GF	On-Demand	Clean	PROC	42	32
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CC3(Cl)Cl)C2)cc1	ZINC000852369411	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CC3(Cl)Cl)C2)cc1	ZINC000852369411	FG	On-Demand	Clean	EPHX2	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CC3(Cl)Cl)C2)cc1	ZINC000852369414	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CC3(Cl)Cl)C2)cc1	ZINC000852369414	FG	On-Demand	Clean	EPHX2	17	44
C[C@@]1(CNC(=O)NCc2cc(F)ccc2OC(F)F)CC1(Cl)Cl	ZINC000852369439	FH	On-Demand	Anodyne	P2RX7	39	42
C[C@@]1(CNC(=O)NCc2cccnc2N2CCCC2)CC1(Cl)Cl	ZINC000852369441	FG	On-Demand	Anodyne	TRPV1	15	41
C[C@@]1(CNC(=O)NCc2cccnc2N2CCCC2)CC1(Cl)Cl	ZINC000852369441	FG	On-Demand	Anodyne	P2RX7	15	41
C[C@@]1(CNC(=O)NCc2cccnc2N2CCCC2)CC1(Cl)Cl	ZINC000852369441	FG	On-Demand	Anodyne	SCN2A	20	48
C[C@@]1(CNC(=O)NCc2cccnc2N2CCCC2)CC1(Cl)Cl	ZINC000852369441	FG	On-Demand	Anodyne	SCN10A	24	48
C=C(C)CCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852369445	EG	On-Demand	Mild	CTSK	18	44
COc1cccc([C@]2(C)CCN(C(=O)NC[C@@]3(C)CC3(Cl)Cl)C2)c1	ZINC000852369472	FH	On-Demand	Anodyne	DRD4	43	33
COc1cccc([C@]2(C)CCN(C(=O)NC[C@]3(C)CC3(Cl)Cl)C2)c1	ZINC000852369474	FH	On-Demand	Anodyne	DRD4	43	33
C[C@@]1(CNC(=O)N2CCC(c3ccon3)CC2)CC1(Cl)Cl	ZINC000852369485	EG	On-Demand	Anodyne	SMO	34	40
O=C(NCCS(=O)(=O)C1CCOCC1)NCc1cccnc1N1CCCC1	ZINC000852369567	GD	On-Demand	Anodyne	SCN10A	20	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3ncccc3C)C2)cc1	ZINC000852369586	FF	On-Demand	Clean	C3AR1	20	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ncccc3C)C2)cc1	ZINC000852369586	FF	On-Demand	Clean	MTNR1A	25	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ncccc3C)C2)cc1	ZINC000852369586	FF	On-Demand	Clean	MTNR1B	19	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(CF)CCOCC3)C2)cc1	ZINC000852369638	FE	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NCC3(CF)CCOCC3)C2)cc1	ZINC000852369638	FE	On-Demand	Clean	MTNR1B	15	43
C[C@@]1(CNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1(Cl)Cl	ZINC000852369672	GH	On-Demand	Anodyne	SSTR3	34	48
C[C@@]1(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)CC1(Cl)Cl	ZINC000852369720	GI	On-Demand	Anodyne	SCD1	17	42
C[C@@]1(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)CC1(Cl)Cl	ZINC000852369720	GI	On-Demand	Anodyne	SCD	29	41
C[C@@]1(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)CC1(Cl)Cl	ZINC000852369720	GI	On-Demand	Anodyne	TRPM8	24	52
CO[C@H]1COCC[C@@H]1CNC(=O)NNc1ccc(Cl)cn1	ZINC000852369799	DD	On-Demand	Reactive	F10	47	32
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000852369835	JG	On-Demand	Anodyne	CPT1A	41	35
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000852369835	JG	On-Demand	Anodyne	CPT1B	42	35
CC/C=C/CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369852	DF	On-Demand	Clean	MTNR1A	15	49
CC/C=C/CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369852	DF	On-Demand	Clean	MTNR1B	16	49
CC/C=C/CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369852	DF	On-Demand	Clean	MCHR1	15	47
CC/C=C/CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369853	DF	On-Demand	Clean	MTNR1A	15	49
CC/C=C/CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369853	DF	On-Demand	Clean	MTNR1B	16	49
CC/C=C/CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369853	DF	On-Demand	Clean	MCHR1	15	47
CC/C=C\CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369854	DF	On-Demand	Clean	MTNR1A	15	49
CC/C=C\CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369854	DF	On-Demand	Clean	MTNR1B	16	49
CC/C=C\CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369854	DF	On-Demand	Clean	MCHR1	15	47
CC/C=C\CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369855	DF	On-Demand	Clean	MTNR1A	15	49
CC/C=C\CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369855	DF	On-Demand	Clean	MTNR1B	16	49
CC/C=C\CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852369855	DF	On-Demand	Clean	MCHR1	15	47
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)cs3)C2)cc1	ZINC000852369875	EG	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)cs3)C2)cc1	ZINC000852369875	EG	On-Demand	Clean	MTNR1B	15	45
Cc1ncsc1CCNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852369935	FE	On-Demand	Anodyne	VHL	42	34
COc1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)N1CCCC1	ZINC000852369961	JD	On-Demand	Anodyne	CPT1A	64	36
COc1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)N1CCCC1	ZINC000852369961	JD	On-Demand	Anodyne	CPT2	46	34
COc1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)N1CCCC1	ZINC000852369961	JD	On-Demand	Anodyne	CPT1B	51	34
C=C(C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852370097	DF	On-Demand	Mild	MTNR1A	24	49
C=C(C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852370097	DF	On-Demand	Mild	MTNR1B	20	49
C=C(C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852370098	DF	On-Demand	Mild	MTNR1A	24	49
C=C(C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852370098	DF	On-Demand	Mild	MTNR1B	20	49
O=C(NOC1CCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852370104	EF	On-Demand	Anodyne	SSTR3	34	50
O=C(NOC1CCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852370104	EF	On-Demand	Anodyne	PRKACA	43	36
Cc1ncsc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852370179	FE	On-Demand	Clean	VHL	65	39
CC[C@@](C)(CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852370202	EE	On-Demand	Clean	MTNR1B	15	50
CC[C@@](C)(CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC	ZINC000852370203	EE	On-Demand	Clean	MTNR1B	15	50
CC/C=C\CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852370225	EH	On-Demand	Anodyne	ROCK2	20	40
CC/C=C/CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852370226	EH	On-Demand	Anodyne	ROCK2	20	40
COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1	ZINC000852370238	JF	On-Demand	Anodyne	LPL	32	40
COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1	ZINC000852370238	JF	On-Demand	Anodyne	CPT1A	48	35
COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1	ZINC000852370238	JF	On-Demand	Anodyne	CPT1B	45	33
COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c(OC)c1	ZINC000852370238	JF	On-Demand	Anodyne	LIPG	15	40
Cc1ncsc1CCNC(=O)NNc1ccc(Cl)cn1	ZINC000852370316	DE	On-Demand	Reactive	F10	46	30
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC4(CCC4)C3)C2)cc1	ZINC000852370404	FF	On-Demand	Clean	MTNR1A	18	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC4(CCC4)C3)C2)cc1	ZINC000852370404	FF	On-Demand	Clean	MTNR1B	15	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC4(CCC4)C3)C2)cc1	ZINC000852370405	FF	On-Demand	Clean	MTNR1A	18	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC4(CCC4)C3)C2)cc1	ZINC000852370405	FF	On-Demand	Clean	MTNR1B	15	42
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000852370472	JF	On-Demand	Anodyne	CPT1A	42	34
COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1	ZINC000852370474	JF	On-Demand	Anodyne	CPT1A	42	34
C#CCOc1ccc(CNC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1	ZINC000852370570	GE	On-Demand	Mild	PROKR1	43	30
C#CCOc1ccc(CNC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1	ZINC000852370571	GE	On-Demand	Mild	PROKR1	43	30
C#CCOc1ccc(CNC(=O)NCC2(S(=O)(=O)CC)CC2)cc1	ZINC000852370588	FD	On-Demand	Mild	MMP13	21	41
C#CCOc1ccc(CNC(=O)NCC2(S(=O)(=O)CC)CC2)cc1	ZINC000852370588	FD	On-Demand	Mild	ADAM17	28	41
Cc1ccncc1CNC(=O)NNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H](C)O1	ZINC000852370599	GD	On-Demand	Reactive	NAMPT	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]3OC)C2)cc1	ZINC000852370616	EE	On-Demand	Clean	PARE	53	31
C#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852370644	GF	On-Demand	Mild	ACHE	18	42
C#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852370644	GF	On-Demand	Mild	LTA4H	28	41
C#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852370644	GF	On-Demand	Mild	HRH3	21	44
C#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852370644	GF	On-Demand	Mild	SIGMAR1	25	48
C#CCOc1ccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)cc1	ZINC000852370644	GF	On-Demand	Mild	CACNA1I	45	40
Cc1ccncc1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852370664	FE	On-Demand	Clean	NAMPT	64	43
C#CCOc1ccc(CNC(=O)NCCC(C)(C)F)cc1	ZINC000852370665	CF	On-Demand	Mild	PROKR1	46	31
C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852370684	GF	On-Demand	Mild	PROKR1	50	31
C#CCOc1ccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852370685	GF	On-Demand	Mild	PROKR1	50	31
COCC(COC)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852370691	FE	On-Demand	Anodyne	ROCK2	24	40
COCC(COC)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852370691	FE	On-Demand	Anodyne	PDS	59	33
C#CCOc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1	ZINC000852370727	FC	On-Demand	Mild	MMP13	39	44
C#CCOc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1	ZINC000852370727	FC	On-Demand	Mild	ADAM17	48	40
C#CCOc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1	ZINC000852370727	FC	On-Demand	Mild	MMP3	15	44
C#CCOc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1	ZINC000852370727	FC	On-Demand	Mild	MMP9	16	44
C#CCOc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1	ZINC000852370727	FC	On-Demand	Mild	MMP7	18	44
C#CCOc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1	ZINC000852370727	FC	On-Demand	Mild	MMP1	29	44
C#CCOc1ccc(CNC(=O)N2CCc3cc(OC)ccc3C2)cc1	ZINC000852370782	FF	On-Demand	Mild	MMP13	21	40
C#CCOc1ccc(CNC(=O)N2CCc3cc(OC)ccc3C2)cc1	ZINC000852370782	FF	On-Demand	Mild	NAMPT	26	42
C#CCOc1ccc(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1	ZINC000852370810	FF	On-Demand	Mild	CCR3	43	36
C#CCOc1ccc(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1	ZINC000852370811	FF	On-Demand	Mild	CCR3	43	36
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1CCO[C@H](c2cccnc2)C1	ZINC000852370827	GF	On-Demand	Anodyne	C3AR1	17	40
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1CCO[C@H](c2cccnc2)C1	ZINC000852370828	GF	On-Demand	Anodyne	C3AR1	17	40
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1CCO[C@@H](c2cccnc2)C1	ZINC000852370829	GF	On-Demand	Anodyne	C3AR1	17	40
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1CCO[C@@H](c2cccnc2)C1	ZINC000852370830	GF	On-Demand	Anodyne	C3AR1	17	40
COCC(COC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852370870	ED	On-Demand	Clean	MTNR1B	15	48
COCC(COC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852370871	ED	On-Demand	Clean	MTNR1B	15	48
C#CCOc1ccc(CNC(=O)N2CCc3nccnc3C2)cc1	ZINC000852370884	DD	On-Demand	Mild	NAMPT	25	44
C#CCOc1ccc(CNC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)cc1	ZINC000852370894	FF	On-Demand	Mild	PDS	48	36
C#CCOc1ccc(CNC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)cc1	ZINC000852370895	FF	On-Demand	Mild	PDS	48	36
C#CCOc1ccc(CNC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)cc1	ZINC000852370896	FF	On-Demand	Mild	PDS	48	36
C#CCOc1ccc(CNC(=O)NC[C@H](O)[C@H](C)c2ccccc2)cc1	ZINC000852370897	FF	On-Demand	Mild	PDS	48	36
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	DRD4	25	45
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	KCNH2	15	49
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	LTA4H	25	41
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	SIGMAR1	24	44
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	SSTR5	47	36
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	CCR3	30	40
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	UTS2R	20	44
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	MLNR	31	44
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	MCHR1	52	44
COCCN(CCF)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1	ZINC000852371020	GE	On-Demand	Anodyne	NOD2	40	35
O=C(N[C@H]1CCO[C@@H](c2cccnc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852371045	FD	On-Demand	Anodyne	EPHX2	16	42
O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852371047	FD	On-Demand	Anodyne	EPHX2	16	42
O=C(N[C@H]1CCO[C@H](c2cccnc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852371050	FD	On-Demand	Anodyne	EPHX2	16	42
O=C(N[C@@H]1CCO[C@H](c2cccnc2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852371052	FD	On-Demand	Anodyne	EPHX2	16	42
C[C@@H](CNC(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)N(C)C	ZINC000852371090	GG	On-Demand	Anodyne	GPR119	20	40
C[C@@H](CNC(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1)N(C)C	ZINC000852371091	GG	On-Demand	Anodyne	GPR119	20	40
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	CHRM2	15	40
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	DRD4	31	56
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	ACHE	19	41
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	KCNH2	15	47
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	CHRM3	20	40
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	LTA4H	30	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	SIGMAR1	30	53
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	SSTR5	80	43
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	CCR3	47	41
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	UTS2R	17	40
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	EPHX2	42	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	CXCR3	51	42
CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)cc1	ZINC000852371123	GD	On-Demand	Anodyne	MCHR1	72	52
C#CCOc1ccc(CNC(=O)NCCCOC(C)(C)C)cc1	ZINC000852371160	DF	On-Demand	Mild	HRH2	18	40
C#CCOc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852371166	FF	On-Demand	Mild	SCN2A	18	43
C#CCOc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852371166	FF	On-Demand	Mild	SCN10A	22	43
C#CCOc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852371166	FF	On-Demand	Mild	NAMPT	19	40
C#CCOc1ccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852371172	FF	On-Demand	Mild	HRH2	15	42
C#CCOc1ccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852371172	FF	On-Demand	Mild	LTA4H	44	39
C#CCOc1ccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1	ZINC000852371172	FF	On-Demand	Mild	SIGMAR1	20	42
C#CCOc1ccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852371173	FF	On-Demand	Mild	HRH2	15	42
C#CCOc1ccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852371173	FF	On-Demand	Mild	LTA4H	44	39
C#CCOc1ccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1	ZINC000852371173	FF	On-Demand	Mild	SIGMAR1	20	42
C#CCOc1ccc(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1	ZINC000852371176	EE	On-Demand	Mild	SLC6A5	35	40
C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1	ZINC000852371177	EE	On-Demand	Mild	SLC6A5	35	40
Cc1ccncc1CNC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1	ZINC000852371301	GG	On-Demand	Anodyne	NAMPT	26	42
C#CCOc1ccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1	ZINC000852371317	FE	On-Demand	Mild	DPP7	41	38
C#CCOc1ccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1	ZINC000852371318	FE	On-Demand	Mild	DPP7	41	38
Cc1ccncc1CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852371365	FH	On-Demand	Anodyne	ROCK2	27	44
Cc1ccncc1CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852371365	FH	On-Demand	Anodyne	NAMPT	42	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N(C)C)C2)cc1	ZINC000852371419	DD	On-Demand	Clean	MTNR1A	22	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N(C)C)C2)cc1	ZINC000852371419	DD	On-Demand	Clean	MTNR1B	20	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N(C)C)C2)cc1	ZINC000852371419	DD	On-Demand	Clean	MCHR1	15	46
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	ZINC000852371433	FE	On-Demand	Clean	SLC6A4	24	47
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	ZINC000852371433	FE	On-Demand	Clean	HTR3A	29	41
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	ZINC000852371433	FE	On-Demand	Clean	SLC6A3	53	47
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	ZINC000852371433	FE	On-Demand	Clean	HTR4	15	46
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	ZINC000852371433	FE	On-Demand	Clean	MTNR1A	16	49
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	ZINC000852371433	FE	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)N4C)C2)cc1	ZINC000852371433	FE	On-Demand	Clean	GLRA1	43	33
C#CCOc1ccc(CNC(=O)N2CCN([C@H]3CCOC3)CC2)cc1	ZINC000852371537	ED	On-Demand	Mild	NAMPT	17	42
C#CCOc1ccc(CNC(=O)N2CCN([C@@H]3CCOC3)CC2)cc1	ZINC000852371538	ED	On-Demand	Mild	NAMPT	17	42
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	CHRM2	15	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	DRD4	26	61
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	ACHE	20	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	CHRM3	19	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	LTA4H	23	41
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	SIGMAR1	31	58
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	SSTR5	46	36
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	CCR3	43	43
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	SLC6A5	28	41
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	EPHX2	45	47
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	CXCR3	28	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	MCHR1	48	44
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)cc1	ZINC000852371553	FF	On-Demand	Anodyne	NOD2	40	34
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	CHRM2	15	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	DRD4	26	61
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	ACHE	20	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	CHRM3	19	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	LTA4H	23	41
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	SIGMAR1	31	58
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	SSTR5	46	36
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	CCR3	43	43
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	SLC6A5	28	41
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	EPHX2	45	47
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	CXCR3	28	45
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	MCHR1	48	44
CC(=O)Nc1ccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)cc1	ZINC000852371554	FF	On-Demand	Anodyne	NOD2	40	34
C#CCOc1ccc(CNC(=O)NCC2CCN(CC3CC3)CC2)cc1	ZINC000852371578	FF	On-Demand	Mild	CACNA1I	54	38
C#CCOc1ccc(CNC(=O)NCC2(S(C)(=O)=O)CCCCC2)cc1	ZINC000852371580	GE	On-Demand	Mild	MMP13	16	40
C#CCOc1ccc(CNC(=O)NCC2(S(C)(=O)=O)CCCCC2)cc1	ZINC000852371580	GE	On-Demand	Mild	ADAM17	25	40
C#CCOc1ccc(CNC(=O)NCc2c(OC)cccc2OC)cc1	ZINC000852371705	FF	On-Demand	Mild	PROKR1	42	30
Cc1ccncc1CNC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852371707	FE	On-Demand	Anodyne	NAMPT	45	41
C#CCOc1ccc(CNC(=O)N[C@H]2CCN(CCC)C2)cc1	ZINC000852371737	DD	On-Demand	Mild	HRH2	17	41
C#CCOc1ccc(CNC(=O)N[C@H]2CCN(CCC)C2)cc1	ZINC000852371737	DD	On-Demand	Mild	LTA4H	19	47
C#CCOc1ccc(CNC(=O)N[C@H]2CCN(CCC)C2)cc1	ZINC000852371737	DD	On-Demand	Mild	SLC6A5	36	41
C#CCOc1ccc(CNC(=O)N[C@H]2CCN(CCC)C2)cc1	ZINC000852371737	DD	On-Demand	Mild	EPHX2	17	40
C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(CCC)C2)cc1	ZINC000852371738	DD	On-Demand	Mild	HRH2	17	41
C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(CCC)C2)cc1	ZINC000852371738	DD	On-Demand	Mild	LTA4H	19	47
C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(CCC)C2)cc1	ZINC000852371738	DD	On-Demand	Mild	SLC6A5	36	41
C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(CCC)C2)cc1	ZINC000852371738	DD	On-Demand	Mild	EPHX2	17	40
Cc1ccncc1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000852371748	GD	On-Demand	Clean	NAMPT	55	42
Cc1ccncc1CNC(=O)N[C@@H]1C=CCC1	ZINC000852371756	BD	On-Demand	Anodyne	NAMPT	21	48
Cc1ccncc1CNC(=O)N[C@H]1C=CCC1	ZINC000852371757	BD	On-Demand	Anodyne	NAMPT	21	48
Cc1ccncc1CNC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852371758	FF	On-Demand	Anodyne	GPR119	15	40
C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(Cl)c(C(=O)OC)n1	ZINC000852371832	FE	On-Demand	Mild	SSTR3	17	43
C[C@@H](CNC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)N(C)C	ZINC000852371874	FD	On-Demand	Anodyne	TPP2	44	32
C[C@@H](CNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C	ZINC000852371915	GG	On-Demand	Anodyne	GPR119	30	43
C[C@@H](CNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1)N(C)C	ZINC000852371916	GG	On-Demand	Anodyne	GPR119	30	43
O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)N[C@H]1C=CCC1	ZINC000852371949	GE	On-Demand	Anodyne	HCN1	65	40
O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)N[C@H]1C=CCC1	ZINC000852371949	GE	On-Demand	Anodyne	HCN4	51	33
O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)N[C@@H]1C=CCC1	ZINC000852371950	GE	On-Demand	Anodyne	HCN1	65	40
O=C(NCC1(N2CCN(c3ccccc3)CC2)CCOCC1)N[C@@H]1C=CCC1	ZINC000852371950	GE	On-Demand	Anodyne	HCN4	51	33
CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cccc(F)n1)C2	ZINC000852371960	DC	On-Demand	Reactive	HTR3A	38	44
CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cccc(F)n1)C2	ZINC000852371960	DC	On-Demand	Reactive	GLRA1	44	32
CN1[C@H]2CC[C@H]1CC(NC(=O)N1CC[C@H](N3CCOC3=O)C1)C2	ZINC000852372060	DC	On-Demand	Anodyne	HTR3A	27	42
CN1[C@H]2CC[C@H]1CC(NC(=O)N1CC[C@@H](N3CCOC3=O)C1)C2	ZINC000852372061	DC	On-Demand	Anodyne	HTR3A	27	42
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1cccc3ccccc13)C2	ZINC000852372099	FF	On-Demand	Anodyne	HTR3A	37	45
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1cccc3ccccc13)C2	ZINC000852372099	FF	On-Demand	Anodyne	SLC6A3	32	44
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1cccc3ccccc13)C2	ZINC000852372099	FF	On-Demand	Anodyne	HTR4	46	43
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1cccc3ccccc13)C2	ZINC000852372099	FF	On-Demand	Anodyne	GLRA1	46	36
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1cccc3ccccc13)C2	ZINC000852372100	FF	On-Demand	Anodyne	HTR3A	37	45
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1cccc3ccccc13)C2	ZINC000852372100	FF	On-Demand	Anodyne	SLC6A3	32	44
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1cccc3ccccc13)C2	ZINC000852372100	FF	On-Demand	Anodyne	HTR4	46	43
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1cccc3ccccc13)C2	ZINC000852372100	FF	On-Demand	Anodyne	GLRA1	46	36
CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCC(N3CCOC3=O)CC1)C2	ZINC000852372237	ED	On-Demand	Anodyne	HTR3A	24	41
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ccc(Cl)cn1)C2	ZINC000852372374	DD	On-Demand	Reactive	HTR3A	30	43
CN1[C@H]2CC[C@H]1CC(NC(=O)NNc1ccc(Cl)cn1)C2	ZINC000852372374	DD	On-Demand	Reactive	SLC6A3	45	42
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C2	ZINC000852372377	GG	On-Demand	Anodyne	CCKAR	17	45
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C2	ZINC000852372377	GG	On-Demand	Anodyne	CCKBR	15	45
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C2	ZINC000852372377	GG	On-Demand	Anodyne	GLRA1	42	35
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372379	FF	On-Demand	Anodyne	SLC6A4	19	43
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372379	FF	On-Demand	Anodyne	HTR3A	30	40
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372379	FF	On-Demand	Anodyne	SLC6A3	44	56
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372379	FF	On-Demand	Anodyne	HTR4	27	42
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372379	FF	On-Demand	Anodyne	GLRA1	41	31
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372380	FF	On-Demand	Anodyne	SLC6A4	19	43
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372380	FF	On-Demand	Anodyne	HTR3A	30	40
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372380	FF	On-Demand	Anodyne	SLC6A3	44	56
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372380	FF	On-Demand	Anodyne	HTR4	27	42
CN1[C@H]2CC[C@H]1CC(NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)C2	ZINC000852372380	FF	On-Demand	Anodyne	GLRA1	41	31
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1ccc(N3CCC(O)CC3)cc1)C2	ZINC000852372384	FE	On-Demand	Clean	SLC6A3	40	38
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1ncccn1)C2	ZINC000852372400	CC	On-Demand	Anodyne	HTR3A	34	42
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1ncccn1)C2	ZINC000852372400	CC	On-Demand	Anodyne	HTR4	20	42
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1ncccn1)C2	ZINC000852372400	CC	On-Demand	Anodyne	GLRA1	45	36
COC(=O)c1nc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(OC)c2)ccc1Cl	ZINC000852372424	GF	On-Demand	Anodyne	MTNR1A	23	44
COC(=O)c1nc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(OC)c2)ccc1Cl	ZINC000852372424	GF	On-Demand	Anodyne	MTNR1B	17	44
C[C@H]1C[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)c2nccn21	ZINC000852372468	GH	On-Demand	Anodyne	CCKAR	17	47
CCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)COC1	ZINC000852372488	ED	On-Demand	Clean	MTNR1A	19	48
CCC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)COC1	ZINC000852372488	ED	On-Demand	Clean	MTNR1B	20	48
CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)COC1	ZINC000852372489	ED	On-Demand	Clean	MTNR1A	19	48
CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)COC1	ZINC000852372489	ED	On-Demand	Clean	MTNR1B	20	48
COCCN(CCF)C(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC000852372520	DE	On-Demand	Anodyne	MTNR1A	18	41
COCCN(CCF)C(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC000852372520	DE	On-Demand	Anodyne	MTNR1B	23	41
COCCN(CCF)C(=O)N[C@@H]1C[C@@H](c2cccc(OC)c2)C1	ZINC000852372534	DF	On-Demand	Anodyne	DRD4	40	30
C[C@H]1C[C@H](NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2nccn21	ZINC000852372535	EE	On-Demand	Anodyne	GPR119	38	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(OC)c4)C3)C2)cc1	ZINC000852372562	GH	On-Demand	Clean	DRD4	43	36
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(OC)c4)C3)C2)cc1	ZINC000852372562	GH	On-Demand	Clean	MTNR1A	39	56
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(OC)c4)C3)C2)cc1	ZINC000852372562	GH	On-Demand	Clean	MTNR1B	37	56
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(OC)c4)C3)C2)cc1	ZINC000852372562	GH	On-Demand	Clean	EPHX2	18	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@@H](c4cccc(OC)c4)C3)C2)cc1	ZINC000852372562	GH	On-Demand	Clean	MCHR1	20	41
CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)NCc2ncccn2)C1	ZINC000852372676	FD	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)NCc2ncccn2)C1	ZINC000852372677	FD	On-Demand	Anodyne	GPR119	25	40
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@@H](c2cccc(OC)c2)C1	ZINC000852372753	ED	On-Demand	Anodyne	DRD4	40	31
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@@H](c2cccc(OC)c2)C1	ZINC000852372753	ED	On-Demand	Anodyne	MTNR1A	56	41
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@@H](c2cccc(OC)c2)C1	ZINC000852372753	ED	On-Demand	Anodyne	MTNR1B	48	41
CN1CCC[C@H](NC(=O)N2CC[C@H](N3CCOC3=O)C2)c2ccccc21	ZINC000852372855	FE	On-Demand	Anodyne	BIRC3	40	31
CN1CCC[C@H](NC(=O)N2CC[C@@H](N3CCOC3=O)C2)c2ccccc21	ZINC000852372856	FE	On-Demand	Anodyne	BIRC3	40	31
CNC(=O)C[C@H](C)NC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852372930	ED	On-Demand	Anodyne	MC4R	33	41
CNC(=O)C[C@@H](C)NC(=O)N1CCN(c2ccc(C)cc2C)CC1	ZINC000852372931	ED	On-Demand	Anodyne	MC4R	33	41
CCn1cc([C@H](C)NC(=O)NC[C@@H](O)c2cccc3ccccc23)cn1	ZINC000852372994	FG	On-Demand	Anodyne	CAPN2	15	44
CCn1cc([C@H](C)NC(=O)NC[C@H](O)c2cccc3ccccc23)cn1	ZINC000852372999	FG	On-Demand	Anodyne	CAPN2	15	44
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)NC1CCN(C2CCC2)CC1	ZINC000852373080	GG	On-Demand	Anodyne	EPHX2	23	44
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC1CCN(C2CCC2)CC1	ZINC000852373081	GG	On-Demand	Anodyne	EPHX2	23	44
CNC(=O)C[C@@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852373211	FD	On-Demand	Anodyne	CTSD	15	43
CNC(=O)C[C@@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852373211	FD	On-Demand	Anodyne	PGA	30	43
CNC(=O)C[C@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852373213	FD	On-Demand	Anodyne	CTSD	15	43
CNC(=O)C[C@H](C)NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852373213	FD	On-Demand	Anodyne	PGA	30	43
O=C(NC1CCN(C2CCC2)CC1)N1CCC(N2CCOC2=O)CC1	ZINC000852373264	FD	On-Demand	Anodyne	L3MBTL3	49	34
C=CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852373321	DC	On-Demand	Reactive	HCN1	42	32
CNC(=O)C[C@@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852373379	ED	On-Demand	Anodyne	ADRB2	30	41
CNC(=O)C[C@@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852373380	ED	On-Demand	Anodyne	ADRB2	30	41
CNC(=O)C[C@H](C)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852373381	ED	On-Demand	Anodyne	ADRB2	30	41
CNC(=O)C[C@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852373382	ED	On-Demand	Anodyne	ADRB2	30	41
C[C@@H](Cc1cnn(C)c1)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852373383	GG	On-Demand	Anodyne	FPR1	41	33
C#Cc1cccc(CNC(=O)NCCCOC(C)(C)C)c1	ZINC000852373521	CF	On-Demand	Mild	HRH2	26	42
C=C(CC)CNC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852373536	FF	On-Demand	Mild	TPP2	51	31
C=C(CC)CNC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852373537	FF	On-Demand	Mild	TPP2	51	31
COc1ccc(N2CC[C@H](NC(=O)NCc3cnc(C)cc3C)C2)cc1	ZINC000852373552	FF	On-Demand	Clean	MTNR1A	16	44
COc1ccc(N2CC[C@H](NC(=O)NCc3cnc(C)cc3C)C2)cc1	ZINC000852373552	FF	On-Demand	Clean	MCHR1	18	43
CCC(CC)(CNC(=O)NCCNC(=O)OC)c1ccc(F)cc1	ZINC000852373560	EF	On-Demand	Anodyne	CACNA1G	39	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(OC)c3)C2)cc1	ZINC000852373619	GG	On-Demand	Clean	MTNR1A	25	53
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(OC)c3)C2)cc1	ZINC000852373619	GG	On-Demand	Clean	MTNR1B	24	53
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3cccc(OC)c3)C2)cc1	ZINC000852373619	GG	On-Demand	Clean	EPHX2	24	56
CC[C@@H](NC(=O)N1CCC(NC(=O)OC)CC1)C1CCCC1	ZINC000852373681	DE	On-Demand	Anodyne	EPHX2	16	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCC4)CC3)C2)cc1	ZINC000852373735	FF	On-Demand	Clean	CHRM2	48	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCC4)CC3)C2)cc1	ZINC000852373735	FF	On-Demand	Clean	CHRM4	18	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCC4)CC3)C2)cc1	ZINC000852373735	FF	On-Demand	Clean	HRH3	37	42
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCC4)CC3)C2)cc1	ZINC000852373735	FF	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCC4)CC3)C2)cc1	ZINC000852373735	FF	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(C4CCC4)CC3)C2)cc1	ZINC000852373735	FF	On-Demand	Clean	L3MBTL3	40	38
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CCN(C2CCC2)CC1	ZINC000852373776	GE	On-Demand	Clean	L3MBTL3	63	40
C#Cc1cccc(CNC(=O)N[C@@H](CC)COCC2CC2)c1	ZINC000852373821	DF	On-Demand	Mild	PDS	45	40
C#Cc1cccc(CNC(=O)N[C@H](CC)COCC2CC2)c1	ZINC000852373822	DF	On-Demand	Mild	PDS	45	40
C#Cc1cccc(CNC(=O)NCC[C@@H](COC)OC)c1	ZINC000852373876	CD	On-Demand	Mild	PDS	47	35
C#Cc1cccc(CNC(=O)NCC[C@H](COC)OC)c1	ZINC000852373877	CD	On-Demand	Mild	PDS	47	35
C=C(CC)CNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852373878	CD	On-Demand	Mild	EPHX2	20	40
O=C(NC[C@H](O)c1cccc2ccccc12)NC1CCN(C2CCC2)CC1	ZINC000852374004	FG	On-Demand	Anodyne	SIGMAR1	19	43
O=C(NC[C@@H](O)c1cccc2ccccc12)NC1CCN(C2CCC2)CC1	ZINC000852374005	FG	On-Demand	Anodyne	SIGMAR1	19	43
O=C(NC1CCN(C2CCC2)CC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852374086	ED	On-Demand	Anodyne	L3MBTL3	66	37
O=C(NC1CCN(C2CCC2)CC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852374088	ED	On-Demand	Anodyne	L3MBTL3	66	37
C=C(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374118	DF	On-Demand	Mild	MTNR1A	23	50
C=C(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374118	DF	On-Demand	Mild	MTNR1B	21	50
C=C(CC)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374118	DF	On-Demand	Mild	EPHX2	22	47
C=C(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374119	DF	On-Demand	Mild	MTNR1A	23	50
C=C(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374119	DF	On-Demand	Mild	MTNR1B	21	50
C=C(CC)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374119	DF	On-Demand	Mild	EPHX2	22	47
C#Cc1cccc(CNC(=O)N[C@@H](C(C)C)C2CC2)c1	ZINC000852374144	CF	On-Demand	Mild	ANPEP	17	41
C#Cc1cccc(CNC(=O)N[C@H](C(C)C)C2CC2)c1	ZINC000852374145	CF	On-Demand	Mild	ANPEP	17	41
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C(C)(C)O)C2)cc1	ZINC000852374147	EE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C(C)(C)O)C2)cc1	ZINC000852374147	EE	On-Demand	Clean	MTNR1B	15	47
C#Cc1cccc(CNC(=O)NCCCOCC=C)c1	ZINC000852374194	CE	On-Demand	Mild	HRH2	25	42
COc1ccc(N2CC[C@H](NC(=O)NCCC[C@@H]3CCOC3)C2)cc1	ZINC000852374214	EE	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CC[C@H](NC(=O)NCCC[C@H]3CCOC3)C2)cc1	ZINC000852374215	EE	On-Demand	Clean	PDK1	44	31
Cc1ccncc1CCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1	ZINC000852374232	GE	On-Demand	Anodyne	GPR119	24	44
Cc1ccncc1CCNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1	ZINC000852374233	GE	On-Demand	Anodyne	GPR119	24	44
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC000852374344	DD	On-Demand	Anodyne	DRD4	40	30
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC000852374344	DD	On-Demand	Anodyne	MTNR1A	41	41
COC(=O)N(C)CCNC(=O)N[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC000852374344	DD	On-Demand	Anodyne	MTNR1B	32	41
C[C@@H](Cc1cnn(C)c1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852374347	FF	On-Demand	Anodyne	ADRB2	32	42
C[C@@H](Cc1cnn(C)c1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852374349	FF	On-Demand	Anodyne	ADRB2	32	42
CCC1(CNC(=O)NNc2ccc(Cl)cn2)COC1	ZINC000852374371	CD	On-Demand	Reactive	F10	40	38
CNC(=O)C[C@@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852374393	FE	On-Demand	Anodyne	FPR1	41	34
CNC(=O)C[C@H](C)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852374394	FE	On-Demand	Anodyne	FPR1	41	34
C#Cc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852374458	DF	On-Demand	Mild	DRD4	43	33
C#Cc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852374458	DF	On-Demand	Mild	MMP13	25	41
C#Cc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852374458	DF	On-Demand	Mild	MTNR1A	29	40
C#Cc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852374458	DF	On-Demand	Mild	MTNR1B	30	40
C#Cc1cccc(CNC(=O)N2CCc3cc(OC)ccc3C2)c1	ZINC000852374458	DF	On-Demand	Mild	ROCK2	22	40
C=C(CC)CNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852374466	GG	On-Demand	Mild	EPHX2	24	42
COCCN(CCF)C(=O)N[C@@H]1CCCN(C)c2ccccc21	ZINC000852374589	DF	On-Demand	Anodyne	ACKR3	62	31
C#Cc1cccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852374673	FF	On-Demand	Mild	DRD4	24	41
C#Cc1cccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852374673	FF	On-Demand	Mild	ACHE	45	46
C#Cc1cccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852374673	FF	On-Demand	Mild	HTR4	39	42
C#Cc1cccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852374673	FF	On-Demand	Mild	SIGMAR1	33	43
C#Cc1cccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852374673	FF	On-Demand	Mild	CCR3	44	42
C#Cc1cccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852374673	FF	On-Demand	Mild	MCHR1	19	41
C#Cc1cccc(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	ZINC000852374673	FF	On-Demand	Mild	CACNA1I	61	42
C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852374708	GI	On-Demand	Anodyne	KCNQ2	22	47
C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852374714	GI	On-Demand	Anodyne	KCNQ2	22	47
CNC(=O)C[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374740	ED	On-Demand	Clean	BIRC2	29	40
CNC(=O)C[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374743	ED	On-Demand	Clean	BIRC2	29	40
CNC(=O)C[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374746	ED	On-Demand	Clean	BIRC2	29	40
CNC(=O)C[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852374748	ED	On-Demand	Clean	BIRC2	29	40
C#Cc1cccc(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)c1	ZINC000852374845	DF	On-Demand	Mild	PLD1	48	35
C#Cc1cccc(CNC(=O)N[C@H](C)CN2CCC(C)CC2)c1	ZINC000852374846	DF	On-Demand	Mild	PLD1	48	35
O=C(NCc1ncccn1)NC1CCN(C2CCC2)CC1	ZINC000852374952	CD	On-Demand	Anodyne	EPHX2	29	43
CN1CCC[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c2ccccc21	ZINC000852374980	GE	On-Demand	Anodyne	SFRP1	48	32
CN1CCC[C@H](NC(=O)NCCS(=O)(=O)CC(F)(F)F)c2ccccc21	ZINC000852374980	GE	On-Demand	Anodyne	WNT3	53	32
C#Cc1cccc(CNC(=O)N2CCC[C@@H](CCF)C2)c1	ZINC000852375250	CF	On-Demand	Mild	DPP7	24	40
C#Cc1cccc(CNC(=O)N2CCC[C@H](CCF)C2)c1	ZINC000852375251	CF	On-Demand	Mild	DPP7	24	40
C#Cc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375274	EF	On-Demand	Mild	DRD4	41	32
C#Cc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375274	EF	On-Demand	Mild	MMP13	22	41
C#Cc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375274	EF	On-Demand	Mild	MTNR1A	22	48
C#Cc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375274	EF	On-Demand	Mild	MTNR1B	21	48
C#Cc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375274	EF	On-Demand	Mild	MCHR1	17	46
C#Cc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375275	EF	On-Demand	Mild	DRD4	41	32
C#Cc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375275	EF	On-Demand	Mild	MMP13	22	41
C#Cc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375275	EF	On-Demand	Mild	MTNR1A	22	48
C#Cc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375275	EF	On-Demand	Mild	MTNR1B	21	48
C#Cc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852375275	EF	On-Demand	Mild	MCHR1	17	46
C#Cc1cccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852375281	FH	On-Demand	Mild	KCNH2	45	45
C#Cc1cccc(CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852375281	FH	On-Demand	Mild	EPHX2	16	40
C#Cc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852375298	EF	On-Demand	Mild	SCN2A	19	46
C#Cc1cccc(CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852375298	EF	On-Demand	Mild	SCN10A	20	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C(N)=O)C3)C2)cc1	ZINC000852375312	ED	On-Demand	Clean	MTNR1A	18	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C(N)=O)C3)C2)cc1	ZINC000852375312	ED	On-Demand	Clean	MTNR1B	18	46
C#Cc1cccc(CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)c1	ZINC000852375371	EF	On-Demand	Mild	CCR3	49	41
C#Cc1cccc(CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)c1	ZINC000852375372	EF	On-Demand	Mild	CCR3	49	41
C#Cc1cccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)c1	ZINC000852375386	FH	On-Demand	Mild	SCD1	21	44
C#Cc1cccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)c1	ZINC000852375386	FH	On-Demand	Mild	SCD	33	42
C#Cc1cccc(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)c1	ZINC000852375386	FH	On-Demand	Mild	TRPM8	23	48
C#Cc1cccc(CNC(=O)N2CCN(c3ccc(OCC)nn3)CC2)c1	ZINC000852375509	FD	On-Demand	Mild	P2RY12	15	44
C#Cc1cccc(CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1	ZINC000852375530	EF	On-Demand	Mild	SIGMAR1	24	42
C#Cc1cccc(CNC(=O)NC[C@H]2CCN2Cc2ccccc2)c1	ZINC000852375531	EF	On-Demand	Mild	SIGMAR1	24	42
C#Cc1cccc(CNC(=O)N2CCC(NC(=O)OC)CC2)c1	ZINC000852375589	DD	On-Demand	Mild	DRD4	15	40
C#Cc1cccc(CNC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)c1	ZINC000852375608	EE	On-Demand	Mild	DPP7	53	43
C#Cc1cccc(CNC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c1	ZINC000852375609	EE	On-Demand	Mild	DPP7	53	43
CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852375628	GD	On-Demand	Reactive	ACACB	15	42
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852375629	GD	On-Demand	Reactive	ACACB	15	42
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852375630	GD	On-Demand	Reactive	ACACB	15	42
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852375631	GD	On-Demand	Reactive	ACACB	15	42
C#Cc1cccc(CNC(=O)N(CC)CCOc2ccccc2OC)c1	ZINC000852375799	FG	On-Demand	Mild	PTGES	23	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3OC)C2)cc1	ZINC000852375844	FE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3OC)C2)cc1	ZINC000852375844	FE	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3OC)C2)cc1	ZINC000852375844	FE	On-Demand	Clean	MCHR1	15	42
C#Cc1cccc(CNC(=O)N[C@H]2CCN(CCC)C2)c1	ZINC000852375852	CD	On-Demand	Mild	DRD4	23	42
C#Cc1cccc(CNC(=O)N[C@@H]2CCN(CCC)C2)c1	ZINC000852375853	CD	On-Demand	Mild	DRD4	23	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C#N)c(F)c3)C2)cc1	ZINC000852375941	FF	On-Demand	Mild	MCHR1	17	45
N#Cc1ccc(CNC(=O)N2CCC(N3CCOC3=O)CC2)cc1F	ZINC000852376096	ED	On-Demand	Mild	KCNJ1	17	40
C#Cc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852376237	EF	On-Demand	Mild	CCR3	49	39
C#Cc1cccc(CNC(=O)NCC2CCN(CC3CC3)CC2)c1	ZINC000852376237	EF	On-Demand	Mild	CACNA1I	60	37
Cc1cccc([C@@H](C)NC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c1	ZINC000852376376	GI	On-Demand	Anodyne	KCNK3	41	34
CCC(CC)(CNC(=O)NNC(=O)c1nnn(C)c1C)c1ccc(F)cc1	ZINC000852376705	GD	On-Demand	Reactive	CACNA1G	36	41
COc1ccc(N2CC[C@H](NC(=O)NCCC3CC(F)(F)C3)C2)cc1	ZINC000852376820	FG	On-Demand	Clean	MTNR1A	20	44
COc1ccc(N2CC[C@H](NC(=O)NCCC3CC(F)(F)C3)C2)cc1	ZINC000852376820	FG	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cccc(C)c3)C2)cc1	ZINC000852376822	FH	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cccc(C)c3)C2)cc1	ZINC000852376822	FH	On-Demand	Clean	MTNR1B	18	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cccc(C)c3)C2)cc1	ZINC000852376825	FH	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cccc(C)c3)C2)cc1	ZINC000852376825	FH	On-Demand	Clean	MTNR1B	18	48
O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852377069	GH	On-Demand	Anodyne	EPHX2	19	40
O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852377070	GH	On-Demand	Anodyne	EPHX2	19	40
O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852377071	GH	On-Demand	Anodyne	EPHX2	19	40
O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)N1CCC(N2CCOC2=O)CC1	ZINC000852377072	GH	On-Demand	Anodyne	EPHX2	19	40
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3nnn(C)c3C)C2)c1	ZINC000852377103	FD	On-Demand	Reactive	DRD4	40	32
CCO[C@H]1C[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852377228	EF	On-Demand	Anodyne	TIMP3	55	35
CCO[C@H]1C[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852377229	EF	On-Demand	Anodyne	TIMP3	55	35
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ncccn1	ZINC000852377232	CE	On-Demand	Anodyne	TBXAS1	39	43
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ncccn1	ZINC000852377232	CE	On-Demand	Anodyne	PTAFR	43	52
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ncccn1	ZINC000852377232	CE	On-Demand	Anodyne	NAMPT	55	40
C#C[C@@H](NC(=O)N[C@H](C)CCCc1cccnc1)C1CCOCC1	ZINC000852377243	EF	On-Demand	Mild	PTAFR	33	46
C#C[C@@H](NC(=O)N[C@H](C)CCCc1cccnc1)C1CCOCC1	ZINC000852377243	EF	On-Demand	Mild	CHRNA7	41	34
C#C[C@@H](NC(=O)N[C@@H](C)CCCc1cccnc1)C1CCOCC1	ZINC000852377244	EF	On-Demand	Mild	PTAFR	33	46
C#C[C@@H](NC(=O)N[C@@H](C)CCCc1cccnc1)C1CCOCC1	ZINC000852377244	EF	On-Demand	Mild	CHRNA7	41	34
C#C[C@H](NC(=O)N[C@H](C)CCCc1cccnc1)C1CCOCC1	ZINC000852377245	EF	On-Demand	Mild	PTAFR	33	46
C#C[C@H](NC(=O)N[C@H](C)CCCc1cccnc1)C1CCOCC1	ZINC000852377245	EF	On-Demand	Mild	CHRNA7	41	34
C#C[C@H](NC(=O)N[C@@H](C)CCCc1cccnc1)C1CCOCC1	ZINC000852377246	EF	On-Demand	Mild	PTAFR	33	46
C#C[C@H](NC(=O)N[C@@H](C)CCCc1cccnc1)C1CCOCC1	ZINC000852377246	EF	On-Demand	Mild	CHRNA7	41	34
CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852377278	EE	On-Demand	Clean	MTNR1A	16	50
CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852377278	EE	On-Demand	Clean	MTNR1B	18	50
CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852377278	EE	On-Demand	Clean	EPHX2	32	45
CCO[C@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852377279	EE	On-Demand	Clean	MTNR1A	16	50
CCO[C@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852377279	EE	On-Demand	Clean	MTNR1B	18	50
CCO[C@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852377279	EE	On-Demand	Clean	EPHX2	32	45
COC(=O)N(C)CCNC(=O)N[C@H](C)CCCc1cccnc1	ZINC000852377289	DD	On-Demand	Anodyne	TBXAS1	27	40
COC(=O)N(C)CCNC(=O)N[C@H](C)CCCc1cccnc1	ZINC000852377289	DD	On-Demand	Anodyne	PTAFR	41	49
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCCc1cccnc1	ZINC000852377290	DD	On-Demand	Anodyne	TBXAS1	27	40
COC(=O)N(C)CCNC(=O)N[C@@H](C)CCCc1cccnc1	ZINC000852377290	DD	On-Demand	Anodyne	PTAFR	41	49
O=C(NCC1(N2CCOCC2)CCOCC1)NNc1ccc(Cl)cn1	ZINC000852377299	FD	On-Demand	Reactive	HCN1	69	42
O=C(NCC1(N2CCOCC2)CCOCC1)NNc1ccc(Cl)cn1	ZINC000852377299	FD	On-Demand	Reactive	HCN4	50	32
C[C@@H](CCCc1cccnc1)NC(=O)N1CCn2ncc(Br)c2C1	ZINC000852377305	GF	On-Demand	Anodyne	PTAFR	42	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377309	GG	On-Demand	Clean	FKBP1A	24	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377309	GG	On-Demand	Clean	TBXAS1	21	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377309	GG	On-Demand	Clean	PTAFR	42	54
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377309	GG	On-Demand	Clean	CHRNA7	51	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377309	GG	On-Demand	Clean	C3AR1	42	50
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377309	GG	On-Demand	Clean	MCHR1	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377311	GG	On-Demand	Clean	FKBP1A	24	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377311	GG	On-Demand	Clean	TBXAS1	21	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377311	GG	On-Demand	Clean	PTAFR	42	54
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377311	GG	On-Demand	Clean	CHRNA7	51	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377311	GG	On-Demand	Clean	C3AR1	42	50
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCc3cccnc3)C2)cc1	ZINC000852377311	GG	On-Demand	Clean	MCHR1	15	43
CCO[C@H]1C[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852377323	FG	On-Demand	Anodyne	TIMP3	57	33
C[C@@H](CCCc1cccnc1)NC(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852377356	GH	On-Demand	Anodyne	PTAFR	33	46
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852377374	GH	On-Demand	Anodyne	TBXAS1	30	47
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852377374	GH	On-Demand	Anodyne	PTAFR	42	51
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852377374	GH	On-Demand	Anodyne	SOAT1	16	43
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852377375	GH	On-Demand	Anodyne	TBXAS1	30	47
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852377375	GH	On-Demand	Anodyne	PTAFR	42	51
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852377375	GH	On-Demand	Anodyne	SOAT1	16	43
C[C@@H](CCCc1cccnc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852377382	EE	On-Demand	Anodyne	PTAFR	39	47
C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852377408	CF	On-Demand	Anodyne	PTAFR	40	50
C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852377408	CF	On-Demand	Anodyne	CHRNA7	50	42
C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H]1C=CCC1	ZINC000852377408	CF	On-Demand	Anodyne	ACHP_LYMST	25	42
C[C@@H](CCCc1cccnc1)NC(=O)N[C@H]1C=CCC1	ZINC000852377411	CF	On-Demand	Anodyne	PTAFR	40	50
C[C@@H](CCCc1cccnc1)NC(=O)N[C@H]1C=CCC1	ZINC000852377411	CF	On-Demand	Anodyne	CHRNA7	50	42
C[C@@H](CCCc1cccnc1)NC(=O)N[C@H]1C=CCC1	ZINC000852377411	CF	On-Demand	Anodyne	ACHP_LYMST	25	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3cn(C)cn3)C2)cc1	ZINC000852377426	ED	On-Demand	Clean	MTNR1A	23	43
C[C@@H](CCCc1cccnc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852377447	EE	On-Demand	Anodyne	FKBP1A	16	41
C[C@@H](CCCc1cccnc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852377447	EE	On-Demand	Anodyne	PTAFR	37	43
C[C@@H](CCCc1cccnc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852377447	EE	On-Demand	Anodyne	CHRNA7	42	34
C[C@@H](CCCc1cccnc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852377448	EE	On-Demand	Anodyne	FKBP1A	16	41
C[C@@H](CCCc1cccnc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852377448	EE	On-Demand	Anodyne	PTAFR	37	43
C[C@@H](CCCc1cccnc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852377448	EE	On-Demand	Anodyne	CHRNA7	42	34
C[C@@H](CCCc1cccnc1)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852377459	EC	On-Demand	Reactive	PTAFR	36	49
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(N3CCOCC3)CCOCC2)O1	ZINC000852377472	GA	On-Demand	Reactive	HCN1	56	39
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCC2(N3CCOCC3)CCOCC2)O1	ZINC000852377472	GA	On-Demand	Reactive	HCN4	46	29
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(N3CCOCC3)CCOCC2)O1	ZINC000852377474	GA	On-Demand	Reactive	HCN1	56	39
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCC2(N3CCOCC3)CCOCC2)O1	ZINC000852377474	GA	On-Demand	Reactive	HCN4	46	29
C[C@@H](CCCc1cccnc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852377499	GC	On-Demand	Reactive	PTAFR	25	41
C[C@@H](CCCc1cccnc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852377499	GC	On-Demand	Reactive	CHRNA7	45	36
C[C@@H](CCCc1cccnc1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852377505	EG	On-Demand	Reactive	TBXAS1	33	44
C[C@@H](CCCc1cccnc1)NC(=O)NNc1ccc(Cl)cn1	ZINC000852377505	EG	On-Demand	Reactive	PTAFR	34	49
O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852377538	ED	On-Demand	Anodyne	EPHX2	19	41
O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852377539	ED	On-Demand	Anodyne	EPHX2	19	41
C[C@@H](CCCc1cccnc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852377600	FE	On-Demand	Anodyne	FKBP1A	16	41
C[C@@H](CCCc1cccnc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852377600	FE	On-Demand	Anodyne	PTAFR	37	43
C[C@@H](CCCc1cccnc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852377600	FE	On-Demand	Anodyne	CHRNA7	42	34
C[C@@H](CCCc1cccnc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852377600	FE	On-Demand	Anodyne	CALCRL	38	40
Cc1ncc(CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)o1	ZINC000852377656	FG	On-Demand	Anodyne	ROCK2	20	40
C[C@@H](CCCc1cccnc1)NC(=O)NNC(=O)c1cccc(F)n1	ZINC000852377687	ED	On-Demand	Reactive	PTAFR	36	49
COC(=O)c1nc(CNC(=O)N[C@H](C)CCCc2cccnc2)ccc1Cl	ZINC000852377688	GG	On-Demand	Anodyne	TBXAS1	23	41
COC(=O)c1nc(CNC(=O)N[C@H](C)CCCc2cccnc2)ccc1Cl	ZINC000852377688	GG	On-Demand	Anodyne	PTAFR	39	49
COC(=O)c1nc(CNC(=O)N[C@H](C)CCCc2cccnc2)ccc1Cl	ZINC000852377688	GG	On-Demand	Anodyne	NAMPT	44	36
COC(=O)c1nc(CNC(=O)N[C@@H](C)CCCc2cccnc2)ccc1Cl	ZINC000852377689	GG	On-Demand	Anodyne	TBXAS1	23	41
COC(=O)c1nc(CNC(=O)N[C@@H](C)CCCc2cccnc2)ccc1Cl	ZINC000852377689	GG	On-Demand	Anodyne	PTAFR	39	49
COC(=O)c1nc(CNC(=O)N[C@@H](C)CCCc2cccnc2)ccc1Cl	ZINC000852377689	GG	On-Demand	Anodyne	NAMPT	44	36
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852377721	GI	On-Demand	Anodyne	ADRB1	20	44
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852377721	GI	On-Demand	Anodyne	ADRB3	42	38
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852377721	GI	On-Demand	Anodyne	TBXAS1	33	40
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852377721	GI	On-Demand	Anodyne	PTAFR	38	51
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852377722	GI	On-Demand	Anodyne	ADRB1	20	44
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852377722	GI	On-Demand	Anodyne	ADRB3	42	38
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852377722	GI	On-Demand	Anodyne	TBXAS1	33	40
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852377722	GI	On-Demand	Anodyne	PTAFR	38	51
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852377805	GG	On-Demand	Clean	FKBP1A	16	41
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852377805	GG	On-Demand	Clean	PTAFR	37	44
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852377805	GG	On-Demand	Clean	CHRNA7	49	38
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852377805	GG	On-Demand	Clean	NAMPT	70	42
C[C@@H](CCCc1cccnc1)NC(=O)NCC1SCCS1	ZINC000852377814	EF	On-Demand	Anodyne	TBXAS1	29	40
C[C@@H](CCCc1cccnc1)NC(=O)NCC1SCCS1	ZINC000852377814	EF	On-Demand	Anodyne	PTAFR	41	48
C[C@@H](CCCc1cccnc1)NC(=O)NCC1SCCS1	ZINC000852377814	EF	On-Demand	Anodyne	CHRNA7	43	34
CN1CCC[C@@H](CCNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852377818	DE	On-Demand	Reactive	F10	32	41
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCCN(C)C3)C2)cc1	ZINC000852377840	FE	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H]3CCCN(C)C3)C2)cc1	ZINC000852377842	FE	On-Demand	Clean	MTNR1A	15	44
C[C@@H](CCCc1cccnc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852377884	GE	On-Demand	Anodyne	TBXAS1	40	44
C[C@@H](CCCc1cccnc1)NC(=O)NCCS(=O)(=O)CC(F)(F)F	ZINC000852377884	GE	On-Demand	Anodyne	PTAFR	38	47
COCCN(CCF)C(=O)N[C@@H](C)CCCc1cccnc1	ZINC000852377888	DE	On-Demand	Anodyne	PTAFR	40	52
COCCN(CCF)C(=O)N[C@H](C)CCCc1cccnc1	ZINC000852377889	DE	On-Demand	Anodyne	PTAFR	40	52
C[C@@H](CCCc1cccnc1)NC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852377902	DF	On-Demand	Anodyne	PTAFR	32	44
C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852377903	DF	On-Demand	Anodyne	PTAFR	32	44
C[C@@H](CCCc1cccnc1)NC(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852377908	GG	On-Demand	Anodyne	PTAFR	37	48
C[C@@H](CCCc1cccnc1)NC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000852377910	GG	On-Demand	Anodyne	PTAFR	37	48
CN1CCC[C@@H](CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852377983	FG	On-Demand	Anodyne	TACR2	60	38
CN1CCC[C@@H](CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852377983	FG	On-Demand	Anodyne	TACR3	40	32
CN1CCC[C@@H](CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852377984	FG	On-Demand	Anodyne	TACR2	60	38
CN1CCC[C@@H](CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852377984	FG	On-Demand	Anodyne	TACR3	40	32
CN1CCC[C@@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852378007	CD	On-Demand	Anodyne	SIRT3	50	31
CN1CCC[C@@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852378007	CD	On-Demand	Anodyne	SIRT2	51	33
CN1CCC[C@@H](CCNC(=O)NCc2ncccn2)C1	ZINC000852378007	CD	On-Demand	Anodyne	SIRT1	50	33
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852378029	GG	On-Demand	Anodyne	FKBP1A	15	40
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852378029	GG	On-Demand	Anodyne	PTAFR	37	43
C[C@@H](CCCc1cccnc1)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852378029	GG	On-Demand	Anodyne	NAMPT	56	43
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852378048	GG	On-Demand	Anodyne	PTAFR	38	49
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852378048	GG	On-Demand	Anodyne	C3AR1	23	41
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852378050	GG	On-Demand	Anodyne	PTAFR	38	49
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852378050	GG	On-Demand	Anodyne	C3AR1	23	41
CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852378062	EE	On-Demand	Clean	EPHX2	17	43
C[C@@H](CCCc1cccnc1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852378063	FE	On-Demand	Anodyne	TBXAS1	26	41
C[C@@H](CCCc1cccnc1)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852378063	FE	On-Demand	Anodyne	PTAFR	35	46
C[C@@H](CCCc1cccnc1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852378064	FE	On-Demand	Anodyne	TBXAS1	26	41
C[C@@H](CCCc1cccnc1)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852378064	FE	On-Demand	Anodyne	PTAFR	35	46
C[C@@H](CCCc1cccnc1)NC(=O)NCCC1SCCS1	ZINC000852378068	EG	On-Demand	Anodyne	PTAFR	40	47
COC(=O)N(C)CCNC(=O)NCC1(N2CCOCC2)CCOCC1	ZINC000852378076	FB	On-Demand	Anodyne	HCN1	53	40
COC(=O)N(C)CCNC(=O)NCC1(N2CCOCC2)CCOCC1	ZINC000852378076	FB	On-Demand	Anodyne	HCN4	47	30
C[C@@H](CCCc1cccnc1)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852378080	FF	On-Demand	Anodyne	PTAFR	31	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](OC(C)C)C3)C2)cc1	ZINC000852378085	EF	On-Demand	Clean	MTNR1A	16	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](OC(C)C)C3)C2)cc1	ZINC000852378085	EF	On-Demand	Clean	MTNR1B	15	48
CN1CCCC[C@@H]1CCOC(=O)c1ccc2ncsc2c1	ZINC000852378135	DG	On-Demand	Anodyne	CPT1A	36	41
CN1CCCC[C@@H]1CCOC(=O)c1ccc2ncsc2c1	ZINC000852378135	DG	On-Demand	Anodyne	CHRNA10	67	37
CN1CCCC[C@@H]1CCOC(=O)c1ccc2ncsc2c1	ZINC000852378135	DG	On-Demand	Anodyne	ACKR3	71	37
CN1CCCC[C@H]1CCOC(=O)c1ccc2ncsc2c1	ZINC000852378137	DG	On-Demand	Anodyne	CPT1A	36	41
CN1CCCC[C@H]1CCOC(=O)c1ccc2ncsc2c1	ZINC000852378137	DG	On-Demand	Anodyne	CHRNA10	67	37
CN1CCCC[C@H]1CCOC(=O)c1ccc2ncsc2c1	ZINC000852378137	DG	On-Demand	Anodyne	ACKR3	71	37
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(OC)CC3)C2)cc1	ZINC000852378176	EF	On-Demand	Clean	EPHX2	49	45
O=C(NCCc1cccc(Br)c1)N1CCC(N2CCOC2=O)CC1	ZINC000852378207	GF	On-Demand	Anodyne	LUXR	20	44
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852378306	GF	On-Demand	Anodyne	EPHX2	22	42
C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2F)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852378306	GF	On-Demand	Anodyne	RBP4	65	34
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3F)C2)cc1	ZINC000852378339	FG	On-Demand	Clean	EPHX2	16	50
COCCN(CCF)C(=O)NCC[C@H]1CCCN(C)C1	ZINC000852378346	CD	On-Demand	Anodyne	ACKR3	60	30
COCCN(CCF)C(=O)NCC[C@@H]1CCCN(C)C1	ZINC000852378347	CD	On-Demand	Anodyne	ACKR3	60	30
CN1CCC[C@@H](CCNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852378386	GH	On-Demand	Anodyne	CCR3	63	43
Cc1ccncc1CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	ZINC000852378677	GF	On-Demand	Clean	STAT6	43	33
O=C(NCCc1cccc(Br)c1)N[C@@H]1C=CCC1	ZINC000852378759	DG	On-Demand	Anodyne	LUXR	15	44
O=C(NCCc1cccc(Br)c1)N[C@H]1C=CCC1	ZINC000852378760	DG	On-Demand	Anodyne	LUXR	15	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(C(F)F)CC3)C2)cc1	ZINC000852378836	FG	On-Demand	Clean	EPHX2	41	38
O=C(N[C@@H]1C[C@H]1c1ccccc1F)N1CCC(N2CCOC2=O)CC1	ZINC000852378921	EE	On-Demand	Anodyne	EPHX2	22	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H]2CCCCN2C1=O	ZINC000852379137	GE	On-Demand	Anodyne	TACR2	44	32
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CCCCN2C1=O	ZINC000852379138	GE	On-Demand	Anodyne	TACR2	44	32
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]2CCCCN2C1=O	ZINC000852379139	GE	On-Demand	Anodyne	TACR2	44	32
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CCCCN2C1=O	ZINC000852379140	GE	On-Demand	Anodyne	TACR2	44	32
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C)cn3)C2)cc1	ZINC000852379286	FF	On-Demand	Clean	MTNR1A	17	42
O=C(NCCc1cccc(Br)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852379402	GE	On-Demand	Anodyne	LUXR	19	43
O=C(NCCc1cccc(Br)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852379403	GE	On-Demand	Anodyne	LUXR	19	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCN(C)C3CC3)C2)cc1	ZINC000852379488	FE	On-Demand	Clean	MCHR1	16	55
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CCC(=O)N3)C2)cc1	ZINC000852379502	ED	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CCC(=O)N3)C2)cc1	ZINC000852379502	ED	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CCC(=O)N3)C2)cc1	ZINC000852379503	ED	On-Demand	Clean	MTNR1A	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CCC(=O)N3)C2)cc1	ZINC000852379503	ED	On-Demand	Clean	MTNR1B	15	43
CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)NCc3ccncn3)O2)C1	ZINC000852379511	GD	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)NCc3ccncn3)O2)C1	ZINC000852379512	GD	On-Demand	Anodyne	GPR119	17	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3cnc(C)cn3)C2)cc1	ZINC000852379530	FD	On-Demand	Clean	MTNR1A	23	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3cnc(C)cn3)C2)cc1	ZINC000852379530	FD	On-Demand	Clean	MTNR1B	15	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccncn1	ZINC000852379640	ED	On-Demand	Clean	NAMPT	49	40
CCC[C@H](NC(=O)N1CCC(NC(=O)OC)CC1)C1CCCC1	ZINC000852379781	EF	On-Demand	Anodyne	EPHX2	19	40
COC(=O)N(C)CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1	ZINC000852379784	FB	On-Demand	Anodyne	HCN1	45	36
CCC(C)(C)OCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852379858	DF	On-Demand	Reactive	F10	46	30
CN1CCC(CNC(=O)NNC(=O)c2cccc(F)n2)(N2CCOCC2)CC1	ZINC000852379946	GB	On-Demand	Reactive	HCN1	78	40
CN1CCC(CNC(=O)NNC(=O)c2cccc(F)n2)(N2CCOCC2)CC1	ZINC000852379946	GB	On-Demand	Reactive	HCN4	51	32
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)NCc3ncccn3)C[C@H]2C1	ZINC000852380028	GE	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)NCc3ncccn3)CC[C@H]2C1	ZINC000852380029	GE	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)NCc3ncccn3)C[C@H]2C1	ZINC000852380030	GE	On-Demand	Anodyne	GPR119	30	44
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)NCc3ncccn3)CC[C@H]2C1	ZINC000852380031	GE	On-Demand	Anodyne	GPR119	30	44
O=C(OCC(=O)C1CCCCC1)c1ccc2ncsc2c1	ZINC000852380257	DH	On-Demand	Anodyne	CPT1A	22	41
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CS[C@H](C)C2)O1	ZINC000852380294	GD	On-Demand	Reactive	SIGMAR1	18	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CS[C@@H](C)C2)O1	ZINC000852380295	GD	On-Demand	Reactive	SIGMAR1	18	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CS[C@H](C)C2)O1	ZINC000852380296	GD	On-Demand	Reactive	SIGMAR1	18	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CS[C@@H](C)C2)O1	ZINC000852380297	GD	On-Demand	Reactive	SIGMAR1	18	40
C[C@H]1C[C@H](NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CS1	ZINC000852380357	EE	On-Demand	Anodyne	EPHX2	16	47
CN1CCC(CNC(=O)NNc2ccc(Cl)cn2)(N2CCOCC2)CC1	ZINC000852380453	GD	On-Demand	Reactive	HCN1	77	39
CN1CCC(CNC(=O)NNc2ccc(Cl)cn2)(N2CCOCC2)CC1	ZINC000852380453	GD	On-Demand	Reactive	HCN4	50	32
COCC[C@H](C)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852380466	FH	On-Demand	Anodyne	FPR1	41	34
COCC[C@@H](C)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852380467	FH	On-Demand	Anodyne	FPR1	41	34
O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccc(N2CCCCC2)nc1	ZINC000852380474	GG	On-Demand	Anodyne	MCHR1	15	42
CN1CC[C@@H](CNC(=O)N[C@H]2CCN(C3CCCCC3)C2)[C@@H]1c1cccnc1	ZINC000852380522	GF	On-Demand	Anodyne	SLC6A5	18	41
CN1CC[C@@H](CNC(=O)N[C@@H]2CCN(C3CCCCC3)C2)[C@@H]1c1cccnc1	ZINC000852380523	GF	On-Demand	Anodyne	SLC6A5	18	41
CN1CC[C@@H](CNC(=O)NCCc2cn(C)c3ccccc23)[C@@H]1c1cccnc1	ZINC000852380524	GG	On-Demand	Anodyne	PTAFR	26	41
CN1CC[C@@H](CNC(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1	ZINC000852380528	GH	On-Demand	Anodyne	SCD	16	40
CN1CC[C@@H](CNC(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccnc1	ZINC000852380528	GH	On-Demand	Anodyne	NAMPT	89	41
CN1CC[C@@H](CNC(=O)N2CCC[C@H](CCF)C2)[C@@H]1c1cccnc1	ZINC000852380578	EF	On-Demand	Anodyne	CHRNA7	16	40
CN1CC[C@@H](CNC(=O)N2CCC[C@@H](CCF)C2)[C@@H]1c1cccnc1	ZINC000852380580	EF	On-Demand	Anodyne	CHRNA7	16	40
CN1CCC(CNC(=O)N2CC[C@H](N3CCOC3=O)C2)(N2CCOCC2)CC1	ZINC000852380625	GC	On-Demand	Anodyne	HCN1	43	32
CN1CCC(CNC(=O)N2CC[C@@H](N3CCOC3=O)C2)(N2CCOCC2)CC1	ZINC000852380626	GC	On-Demand	Anodyne	HCN1	43	32
CN1CC[C@@H](CNC(=O)N2CC[C@H]3COC[C@H]3C2)[C@@H]1c1cccnc1	ZINC000852380697	ED	On-Demand	Anodyne	CHRNA7	43	37
CN1CC[C@@H](CNC(=O)N2CC[C@H]3COC[C@H]3C2)[C@@H]1c1cccnc1	ZINC000852380697	ED	On-Demand	Anodyne	NAMPT	48	36
CN1CC[C@@H](CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)[C@@H]1c1cccnc1	ZINC000852380698	ED	On-Demand	Anodyne	CHRNA7	43	37
CN1CC[C@@H](CNC(=O)N2CC[C@@H]3COC[C@@H]3C2)[C@@H]1c1cccnc1	ZINC000852380698	ED	On-Demand	Anodyne	NAMPT	48	36
CN1CC[C@@H](CNC(=O)N2CC[C@@H]3COC[C@H]3C2)[C@@H]1c1cccnc1	ZINC000852380699	ED	On-Demand	Anodyne	CHRNA7	43	37
CN1CC[C@@H](CNC(=O)N2CC[C@@H]3COC[C@H]3C2)[C@@H]1c1cccnc1	ZINC000852380699	ED	On-Demand	Anodyne	NAMPT	48	36
CN1CC[C@@H](CNC(=O)N2CC[C@H]3COC[C@@H]3C2)[C@@H]1c1cccnc1	ZINC000852380700	ED	On-Demand	Anodyne	CHRNA7	43	37
CN1CC[C@@H](CNC(=O)N2CC[C@H]3COC[C@@H]3C2)[C@@H]1c1cccnc1	ZINC000852380700	ED	On-Demand	Anodyne	NAMPT	48	36
Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc5ncsc5c4)CC3)ncnc21	ZINC000852380802	ID	On-Demand	Anodyne	PDGFRB	55	39
COCC[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852380859	EE	On-Demand	Clean	MTNR1A	15	45
COCC[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852380859	EE	On-Demand	Clean	MTNR1B	15	45
COCC[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852380860	EE	On-Demand	Clean	MTNR1A	15	45
COCC[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852380860	EE	On-Demand	Clean	MTNR1B	15	45
COCC[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852380861	EE	On-Demand	Clean	MTNR1A	15	45
COCC[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852380861	EE	On-Demand	Clean	MTNR1B	15	45
COCC[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852380862	EE	On-Demand	Clean	MTNR1A	15	45
COCC[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852380862	EE	On-Demand	Clean	MTNR1B	15	45
CN1CC[C@@H](CNC(=O)NCCCC2CCC2)[C@@H]1c1cccnc1	ZINC000852380942	EF	On-Demand	Anodyne	NAMPT	26	42
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)N3CC[C@@H]4C[C@@H]4C3)C[C@H]2C1	ZINC000852381066	FG	On-Demand	Anodyne	GPR119	37	45
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N3CC[C@@H]4C[C@H]4C3)CC[C@H]2C1	ZINC000852381067	FG	On-Demand	Anodyne	GPR119	37	45
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N3CC[C@@H]4C[C@@H]4C3)CC[C@H]2C1	ZINC000852381068	FG	On-Demand	Anodyne	GPR119	37	45
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)N3CC[C@@H]4C[C@H]4C3)C[C@H]2C1	ZINC000852381069	FG	On-Demand	Anodyne	GPR119	37	45
CN1CC[C@@H](CNC(=O)N2CC[C@H](C3CCCCC3)C2)[C@@H]1c1cccnc1	ZINC000852381092	FH	On-Demand	Anodyne	CHRNA7	42	39
CN1CC[C@@H](CNC(=O)N2CC[C@H](C3CCCCC3)C2)[C@@H]1c1cccnc1	ZINC000852381092	FH	On-Demand	Anodyne	NAMPT	41	35
CN1CC[C@@H](CNC(=O)N2CC[C@@H](C3CCCCC3)C2)[C@@H]1c1cccnc1	ZINC000852381093	FH	On-Demand	Anodyne	CHRNA7	42	39
CN1CC[C@@H](CNC(=O)N2CC[C@@H](C3CCCCC3)C2)[C@@H]1c1cccnc1	ZINC000852381093	FH	On-Demand	Anodyne	NAMPT	41	35
CN1CC[C@@H](CNC(=O)N2CCC[C@@H](C3CCCCC3)C2)[C@@H]1c1cccnc1	ZINC000852381107	GI	On-Demand	Anodyne	CHRNA7	25	41
CN1CC[C@@H](CNC(=O)N2CCC[C@H](C3CCCCC3)C2)[C@@H]1c1cccnc1	ZINC000852381108	GI	On-Demand	Anodyne	CHRNA7	25	41
CN1CC[C@@H](CNC(=O)N2CC[C@H]3C[C@H]3C2)[C@@H]1c1cccnc1	ZINC000852381126	DE	On-Demand	Anodyne	CHRNA7	50	39
CN1CC[C@@H](CNC(=O)N2CC[C@H]3C[C@H]3C2)[C@@H]1c1cccnc1	ZINC000852381126	DE	On-Demand	Anodyne	NAMPT	52	38
CN1CC[C@@H](CNC(=O)N2CC[C@@H]3C[C@H]3C2)[C@@H]1c1cccnc1	ZINC000852381127	DE	On-Demand	Anodyne	CHRNA7	50	39
CN1CC[C@@H](CNC(=O)N2CC[C@@H]3C[C@H]3C2)[C@@H]1c1cccnc1	ZINC000852381127	DE	On-Demand	Anodyne	NAMPT	52	38
CN1CC[C@@H](CNC(=O)N2CC[C@H]3C[C@@H]3C2)[C@@H]1c1cccnc1	ZINC000852381128	DE	On-Demand	Anodyne	CHRNA7	50	39
CN1CC[C@@H](CNC(=O)N2CC[C@H]3C[C@@H]3C2)[C@@H]1c1cccnc1	ZINC000852381128	DE	On-Demand	Anodyne	NAMPT	52	38
CN1CC[C@@H](CNC(=O)N2CC[C@@H]3C[C@@H]3C2)[C@@H]1c1cccnc1	ZINC000852381129	DE	On-Demand	Anodyne	CHRNA7	50	39
CN1CC[C@@H](CNC(=O)N2CC[C@@H]3C[C@@H]3C2)[C@@H]1c1cccnc1	ZINC000852381129	DE	On-Demand	Anodyne	NAMPT	52	38
CN1CC[C@@H](CNC(=O)NCc2ccc3occc3c2)[C@@H]1c1cccnc1	ZINC000852381137	FG	On-Demand	Anodyne	NAMPT	69	37
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)[C@@H]1c1cccnc1	ZINC000852381138	EF	On-Demand	Anodyne	CHRNA7	30	40
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)[C@@H]1c1cccnc1	ZINC000852381138	EF	On-Demand	Anodyne	ACHP_LYMST	16	40
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)[C@@H]1c1cccnc1	ZINC000852381139	EF	On-Demand	Anodyne	CHRNA7	30	40
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)[C@@H]1c1cccnc1	ZINC000852381139	EF	On-Demand	Anodyne	ACHP_LYMST	16	40
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]23)[C@@H]1c1cccnc1	ZINC000852381140	EF	On-Demand	Anodyne	CHRNA7	30	40
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]23)[C@@H]1c1cccnc1	ZINC000852381140	EF	On-Demand	Anodyne	ACHP_LYMST	16	40
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)[C@@H]1c1cccnc1	ZINC000852381141	EF	On-Demand	Anodyne	CHRNA7	30	40
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)[C@@H]1c1cccnc1	ZINC000852381141	EF	On-Demand	Anodyne	ACHP_LYMST	16	40
CN1CC[C@@H](CNC(=O)N2CCC(C3CCC3)CC2)[C@@H]1c1cccnc1	ZINC000852381142	FG	On-Demand	Anodyne	CHRNA7	49	41
CN1CC[C@@H](CNC(=O)N2CCC(C3CCC3)CC2)[C@@H]1c1cccnc1	ZINC000852381142	FG	On-Demand	Anodyne	ACHP_LYMST	23	41
CN1CC[C@@H](CNC(=O)N2CCC(C3CCC3)CC2)[C@@H]1c1cccnc1	ZINC000852381142	FG	On-Demand	Anodyne	NAMPT	44	35
CC(C)c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)CC2	ZINC000852381143	GH	On-Demand	Anodyne	MAPK1	42	33
COCC[C@@H](C)CNC(=O)NNc1ccc(Cl)cn1	ZINC000852381164	CE	On-Demand	Reactive	F10	47	31
COCC[C@H](C)CNC(=O)NNc1ccc(Cl)cn1	ZINC000852381165	CE	On-Demand	Reactive	F10	47	31
C[C@@H]1CC(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@@H](C)C1	ZINC000852381185	FG	On-Demand	Anodyne	NAMPT	41	36
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1	ZINC000852381186	FG	On-Demand	Anodyne	NAMPT	41	36
C[C@H]1CC(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@H](C)C1	ZINC000852381187	FG	On-Demand	Anodyne	NAMPT	41	36
CN1CCC(CNC(=O)NCc2ncccn2)(N2CCOCC2)CC1	ZINC000852381223	EC	On-Demand	Anodyne	HCN1	76	39
CN1CCC(CNC(=O)NCc2ncccn2)(N2CCOCC2)CC1	ZINC000852381223	EC	On-Demand	Anodyne	HCN4	50	34
CN1CCC(CNC(=O)N[C@H]2C=CCC2)(N2CCOCC2)CC1	ZINC000852381243	DC	On-Demand	Anodyne	HCN1	44	34
CN1CCC(CNC(=O)N[C@@H]2C=CCC2)(N2CCOCC2)CC1	ZINC000852381244	DC	On-Demand	Anodyne	HCN1	44	34
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)N3CC[C@@H]4COC[C@@H]4C3)C[C@H]2C1	ZINC000852381269	GF	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N3CC[C@@H]4COC[C@@H]4C3)CC[C@H]2C1	ZINC000852381270	GF	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)N3CC[C@@H]4COC[C@H]4C3)C[C@H]2C1	ZINC000852381271	GF	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N3CC[C@@H]4COC[C@H]4C3)CC[C@H]2C1	ZINC000852381272	GF	On-Demand	Anodyne	GPR119	32	42
CN1CC[C@@H](CNC(=O)NCc2cnc(C(F)(F)F)nc2)[C@@H]1c1cccnc1	ZINC000852381342	GE	On-Demand	Anodyne	CCR2	15	40
CN1CC[C@@H](CNC(=O)NCc2cnc(C(F)(F)F)nc2)[C@@H]1c1cccnc1	ZINC000852381342	GE	On-Demand	Anodyne	NAMPT	44	36
CN1CC[C@@H](CNC(=O)NC[C@H]2CCCN(CC3CC3)C2)[C@@H]1c1cccnc1	ZINC000852381345	GE	On-Demand	Anodyne	CCR3	42	34
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(CC3CC3)C2)[C@@H]1c1cccnc1	ZINC000852381346	GE	On-Demand	Anodyne	CCR3	42	34
CN1CC[C@@H](CNC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)[C@@H]1c1cccnc1	ZINC000852381357	GF	On-Demand	Anodyne	EPHX2	21	46
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852381381	GG	On-Demand	Anodyne	MTNR1A	15	44
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H](O)c1cccc2ccccc12	ZINC000852381381	GG	On-Demand	Anodyne	PLM2_PLAFA	44	35
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852381382	GG	On-Demand	Anodyne	MTNR1A	15	44
CO[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H](O)c1cccc2ccccc12	ZINC000852381382	GG	On-Demand	Anodyne	PLM2_PLAFA	44	35
CN1CC[C@@H](CNC(=O)N2CCC[C@H](C3CCC3)C2)[C@@H]1c1cccnc1	ZINC000852381439	FG	On-Demand	Anodyne	CHRNA7	30	42
CN1CC[C@@H](CNC(=O)N2CCC[C@@H](C3CCC3)C2)[C@@H]1c1cccnc1	ZINC000852381440	FG	On-Demand	Anodyne	CHRNA7	30	42
CN1CC[C@@H](CNC(=O)NCC2CCN(CC3CC3)CC2)[C@@H]1c1cccnc1	ZINC000852381457	GE	On-Demand	Anodyne	HTR4	45	37
CN1CC[C@@H](CNC(=O)NCC2CCN(CC3CC3)CC2)[C@@H]1c1cccnc1	ZINC000852381457	GE	On-Demand	Anodyne	CACNA1I	68	37
CN1CC[C@@H](CNC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)[C@@H]1c1cccnc1	ZINC000852381468	GH	On-Demand	Anodyne	CHRNA7	15	41
CN1CC[C@@H](CNC(=O)N[C@H]2C=CCC2)[C@@H]1c1cccnc1	ZINC000852381514	DE	On-Demand	Anodyne	CHRNA7	42	37
CN1CC[C@@H](CNC(=O)N[C@@H]2C=CCC2)[C@@H]1c1cccnc1	ZINC000852381515	DE	On-Demand	Anodyne	CHRNA7	42	37
O=C(NCc1nccc(C(F)(F)F)n1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852381578	GE	On-Demand	Anodyne	TRPV1	73	34
O=C(NCc1nccc(C(F)(F)F)n1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852381580	GE	On-Demand	Anodyne	TRPV1	73	34
CN1CC[C@@H](CNC(=O)NC2CCC(C3CCC3)CC2)[C@@H]1c1cccnc1	ZINC000852381602	FH	On-Demand	Anodyne	CHRNA7	40	40
CN1CC[C@@H](CNC(=O)NC2CCC(C3CCC3)CC2)[C@@H]1c1cccnc1	ZINC000852381602	FH	On-Demand	Anodyne	ACHP_LYMST	17	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CC3(C)C)C2)cc1	ZINC000852381696	DE	On-Demand	Clean	EPHX2	22	42
CN1CC[C@@H](CNC(=O)NCc2cccnc2N2CCCC2)[C@@H]1c1cccnc1	ZINC000852381723	GF	On-Demand	Anodyne	SCN2A	19	45
CN1CC[C@@H](CNC(=O)NCc2cccnc2N2CCCC2)[C@@H]1c1cccnc1	ZINC000852381723	GF	On-Demand	Anodyne	SCN10A	22	45
CN1CC[C@@H](CNC(=O)NCc2cccnc2N2CCCC2)[C@@H]1c1cccnc1	ZINC000852381723	GF	On-Demand	Anodyne	NAMPT	42	38
COc1ccccc1[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000852381730	GF	On-Demand	Anodyne	CHRNA7	27	42
CN1CC[C@@H](CNC(=O)NC[C@H]2CCN2Cc2ccccc2)[C@@H]1c1cccnc1	ZINC000852381748	GF	On-Demand	Anodyne	PTAFR	37	41
CN1CC[C@@H](CNC(=O)NC[C@H]2CCN2Cc2ccccc2)[C@@H]1c1cccnc1	ZINC000852381748	GF	On-Demand	Anodyne	CHRNA7	41	35
CN1CC[C@@H](CNC(=O)NC[C@H]2CCN2Cc2ccccc2)[C@@H]1c1cccnc1	ZINC000852381748	GF	On-Demand	Anodyne	NAMPT	45	35
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)[C@@H]1c1cccnc1	ZINC000852381749	GF	On-Demand	Anodyne	PTAFR	37	41
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)[C@@H]1c1cccnc1	ZINC000852381749	GF	On-Demand	Anodyne	CHRNA7	41	35
CN1CC[C@@H](CNC(=O)NC[C@@H]2CCN2Cc2ccccc2)[C@@H]1c1cccnc1	ZINC000852381749	GF	On-Demand	Anodyne	NAMPT	45	35
CN1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2)[C@@H]1c1cccnc1	ZINC000852381760	GH	On-Demand	Anodyne	CACNA1I	63	39
CN1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2)[C@@H]1c1cccnc1	ZINC000852381760	GH	On-Demand	Anodyne	NAMPT	70	37
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2nc3ncccn3n2)C1	ZINC000852381985	FC	On-Demand	Anodyne	GPR119	24	40
O=C(NCCS(=O)(=O)C1CC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852382211	GE	On-Demand	Anodyne	KCNH2	42	40
O=C(NCCS(=O)(=O)C1CC1)NCC1CCN(CC2CC2)CC1	ZINC000852382212	EC	On-Demand	Anodyne	CACNA1I	41	33
COc1ccc(N2CC[C@H](NC(=O)NCCS(=O)(=O)C3CC3)C2)cc1	ZINC000852382243	FD	On-Demand	Clean	MTNR1A	16	46
C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)NCCS(=O)(=O)C1CC1	ZINC000852382248	GE	On-Demand	Anodyne	MDM2	115	37
CS(=O)(=O)c1ccccc1CNC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852382356	GD	On-Demand	Anodyne	EPHX2	15	46
CCC(CC)(CNC(=O)NCCS(=O)(=O)C1CC1)c1ccc(F)cc1	ZINC000852382374	FF	On-Demand	Anodyne	CACNA1G	41	48
COCC1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852382375	FF	On-Demand	Clean	MTNR1A	15	48
COCC1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852382376	FF	On-Demand	Clean	MTNR1A	15	48
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCCS(=O)(=O)C1CC1)CCC2	ZINC000852382397	GD	On-Demand	Anodyne	NQO2	21	40
COC(=O)c1ccc2c(c1)[C@H](CNC(=O)NCCS(=O)(=O)C1CC1)CCC2	ZINC000852382397	GD	On-Demand	Anodyne	HTR6	22	40
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCCS(=O)(=O)C1CC1)CCC2	ZINC000852382398	GD	On-Demand	Anodyne	NQO2	21	40
COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)NCCS(=O)(=O)C1CC1)CCC2	ZINC000852382398	GD	On-Demand	Anodyne	HTR6	22	40
O=C(NCCS(=O)(=O)C1CC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852382429	GD	On-Demand	Anodyne	SSTR3	31	46
C[C@H]1C[C@H](c2ccccc2)C[C@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1	ZINC000852382462	GH	On-Demand	Anodyne	EPHX2	23	40
COC1([C@H](C)NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CCC1	ZINC000852382600	GH	On-Demand	Anodyne	FPR1	42	32
COC1([C@@H](C)NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CCC1	ZINC000852382601	GH	On-Demand	Anodyne	FPR1	42	32
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C3(OC)CCC3)C2)cc1	ZINC000852382645	EF	On-Demand	Clean	NPBWR1	42	29
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C3(OC)CCC3)C2)cc1	ZINC000852382646	EF	On-Demand	Clean	NPBWR1	42	29
O=C(NCCS(=O)(=O)C1CC1)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852382770	FD	On-Demand	Anodyne	SIGMAR1	22	40
O=C(NCCS(=O)(=O)C1CC1)NC[C@H]1CCN1Cc1ccccc1	ZINC000852382771	FD	On-Demand	Anodyne	SIGMAR1	22	40
O=C(NCCc1ccnc2ccccc12)NCCS(=O)(=O)C1CC1	ZINC000852382851	ED	On-Demand	Anodyne	MTNR1A	23	40
O=C(NCCc1ccnc2ccccc12)NCCS(=O)(=O)C1CC1	ZINC000852382851	ED	On-Demand	Anodyne	MTNR1B	15	40
O=C(NCCS(=O)(=O)C1CC1)NCc1cccnc1N1CCCC1	ZINC000852382856	FD	On-Demand	Anodyne	SCN2A	18	43
O=C(NCCS(=O)(=O)C1CC1)NCc1cccnc1N1CCCC1	ZINC000852382856	FD	On-Demand	Anodyne	SCN10A	19	43
O=C(NCCS(=O)(=O)C1CC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852382986	GE	On-Demand	Anodyne	SCD	24	40
O=C(NCCS(=O)(=O)C1CC1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852382986	GE	On-Demand	Anodyne	TRPM8	24	50
Cn1cc(CCNC(=O)NCCS(=O)(=O)C2CC2)c2ccccc21	ZINC000852383134	ED	On-Demand	Anodyne	MTNR1A	18	41
O=C(NCCS(=O)(=O)C1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852383194	GD	On-Demand	Anodyne	ACHE	28	48
O=C(NCCS(=O)(=O)C1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852383194	GD	On-Demand	Anodyne	SIGMAR1	24	44
O=C(NCCS(=O)(=O)C1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852383194	GD	On-Demand	Anodyne	SSTR5	45	34
O=C(NCCS(=O)(=O)C1CC1)NCC1CCN(Cc2ccncc2)CC1	ZINC000852383194	GD	On-Demand	Anodyne	CACNA1I	61	41
CN(c1ccccc1)[C@H]1CCN(C(=O)NCCS(=O)(=O)C2CC2)C1	ZINC000852383212	FD	On-Demand	Anodyne	SFRP1	42	35
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCCS(=O)(=O)C2CC2)C1	ZINC000852383213	FD	On-Demand	Anodyne	SFRP1	42	35
COCC1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852383336	GF	On-Demand	Clean	EPHX2	15	43
COc1cccc([C@]2(C)CCN(C(=O)NCCS(=O)(=O)C3CC3)C2)c1	ZINC000852383337	FD	On-Demand	Anodyne	DRD4	43	34
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@H]1F	ZINC000852383344	EH	On-Demand	Anodyne	SSTR3	16	44
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@H]1F	ZINC000852383345	EH	On-Demand	Anodyne	SSTR3	16	44
COC(=O)c1nc(CNC(=O)N[C@@H]2CCCC[C@H]2F)ccc1Cl	ZINC000852383379	EF	On-Demand	Anodyne	SSTR3	17	40
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)c3cccnc3)C2)cc1	ZINC000852383406	FF	On-Demand	Clean	C3AR1	32	42
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1	ZINC000852383408	ED	On-Demand	Anodyne	TIMP3	44	34
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852383465	EE	On-Demand	Anodyne	DRD4	28	44
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852383465	EE	On-Demand	Anodyne	SIGMAR1	18	46
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852383466	EE	On-Demand	Anodyne	DRD4	28	44
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852383466	EE	On-Demand	Anodyne	SIGMAR1	18	46
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852383467	EE	On-Demand	Anodyne	DRD4	28	44
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852383467	EE	On-Demand	Anodyne	SIGMAR1	18	46
CCN1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852383468	EE	On-Demand	Anodyne	DRD4	28	44
CCN1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852383468	EE	On-Demand	Anodyne	SIGMAR1	18	46
CN(c1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1	ZINC000852383481	GF	On-Demand	Anodyne	EPHX2	22	40
CN(c1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1	ZINC000852383482	GF	On-Demand	Anodyne	EPHX2	22	40
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383483	EE	On-Demand	Anodyne	ADRB3	15	41
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383483	EE	On-Demand	Anodyne	TACR2	64	40
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383483	EE	On-Demand	Anodyne	SIGMAR1	15	42
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383483	EE	On-Demand	Anodyne	UTS2R	23	40
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383483	EE	On-Demand	Anodyne	TACR3	40	33
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383483	EE	On-Demand	Anodyne	CCR2	20	43
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383483	EE	On-Demand	Anodyne	EPHX2	18	45
CCN1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383484	EE	On-Demand	Anodyne	ADRB3	15	41
CCN1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383484	EE	On-Demand	Anodyne	TACR2	64	40
CCN1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383484	EE	On-Demand	Anodyne	SIGMAR1	15	42
CCN1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383484	EE	On-Demand	Anodyne	UTS2R	23	40
CCN1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383484	EE	On-Demand	Anodyne	TACR3	40	33
CCN1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383484	EE	On-Demand	Anodyne	CCR2	20	43
CCN1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383484	EE	On-Demand	Anodyne	EPHX2	18	45
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383485	EE	On-Demand	Anodyne	ADRB3	15	41
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383485	EE	On-Demand	Anodyne	TACR2	64	40
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383485	EE	On-Demand	Anodyne	SIGMAR1	15	42
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383485	EE	On-Demand	Anodyne	UTS2R	23	40
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383485	EE	On-Demand	Anodyne	TACR3	40	33
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383485	EE	On-Demand	Anodyne	CCR2	20	43
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383485	EE	On-Demand	Anodyne	EPHX2	18	45
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383486	EE	On-Demand	Anodyne	ADRB3	15	41
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383486	EE	On-Demand	Anodyne	TACR2	64	40
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383486	EE	On-Demand	Anodyne	SIGMAR1	15	42
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383486	EE	On-Demand	Anodyne	UTS2R	23	40
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383486	EE	On-Demand	Anodyne	TACR3	40	33
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383486	EE	On-Demand	Anodyne	CCR2	20	43
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852383486	EE	On-Demand	Anodyne	EPHX2	18	45
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	DRD4	28	44
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	HTR4	17	40
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	SIGMAR1	24	47
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	CCR3	28	42
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	MTNR1A	18	53
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	MTNR1B	18	53
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	SLC6A5	30	40
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	EPHX2	26	47
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	PDK1	40	33
CCN1CC[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383488	ED	On-Demand	Clean	MCHR1	24	44
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	DRD4	28	44
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	HTR4	17	40
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	SIGMAR1	24	47
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	CCR3	28	42
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	MTNR1A	18	53
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	MTNR1B	18	53
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	SLC6A5	30	40
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	EPHX2	26	47
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	PDK1	40	33
CCN1CC[C@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383489	ED	On-Demand	Clean	MCHR1	24	44
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	DRD4	28	44
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	HTR4	17	40
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	SIGMAR1	24	47
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	CCR3	28	42
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	MTNR1A	18	53
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	MTNR1B	18	53
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	SLC6A5	30	40
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	EPHX2	26	47
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	PDK1	40	33
CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383490	ED	On-Demand	Clean	MCHR1	24	44
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	DRD4	28	44
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	HTR4	17	40
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	SIGMAR1	24	47
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	CCR3	28	42
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	MTNR1A	18	53
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	MTNR1B	18	53
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	SLC6A5	30	40
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	EPHX2	26	47
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	PDK1	40	33
CCN1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852383491	ED	On-Demand	Clean	MCHR1	24	44
C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852383549	GH	On-Demand	Mild	PGA5	43	33
C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852383549	GH	On-Demand	Mild	STAT6	15	41
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852383552	EF	On-Demand	Mild	PGA5	42	32
O=C1CC[C@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3c3ccccc3)CC[C@@H]2N1	ZINC000852383568	FD	On-Demand	Anodyne	EPHX2	23	42
O=C1CC[C@@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)[C@H](c2ccccc2)N1	ZINC000852383569	FD	On-Demand	Anodyne	EPHX2	23	42
O=C1CC[C@@H](NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)[C@H](c2ccccc2)N1	ZINC000852383570	FD	On-Demand	Anodyne	EPHX2	23	42
O=C1CC[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3c3ccccc3)CC[C@@H]2N1	ZINC000852383571	FD	On-Demand	Anodyne	EPHX2	23	42
O=C1CC[C@@H](NC(=O)N2CCC[C@@H](C3CCC3)C2)[C@H](c2ccccc2)N1	ZINC000852383581	FG	On-Demand	Anodyne	EPHX2	21	41
O=C1CC[C@@H](NC(=O)N2CCC[C@H](C3CCC3)C2)[C@H](c2ccccc2)N1	ZINC000852383582	FG	On-Demand	Anodyne	EPHX2	21	41
CCN1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852383601	ED	On-Demand	Clean	EPHX2	15	41
CCN1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852383601	ED	On-Demand	Clean	MCHR1	15	48
CCN1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852383602	ED	On-Demand	Clean	EPHX2	15	41
CCN1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852383602	ED	On-Demand	Clean	MCHR1	15	48
O=C1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C3)C2)[C@H](c2ccccc2)N1	ZINC000852383610	EE	On-Demand	Anodyne	EPHX2	21	40
O=C1CC[C@@H](NC(=O)N[C@@H]2C[C@@H](Oc3ccccc3)C2)[C@H](c2ccccc2)N1	ZINC000852383631	GF	On-Demand	Anodyne	EPHX2	26	41
O=C1CC[C@@H](NC(=O)N2CCC(c3ccon3)CC2)[C@H](c2ccccc2)N1	ZINC000852383658	FF	On-Demand	Anodyne	EPHX2	24	47
CCN1CC[C@@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1	ZINC000852383667	FE	On-Demand	Anodyne	CTSK	15	42
CCN1CC[C@H](NC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1	ZINC000852383668	FE	On-Demand	Anodyne	CTSK	15	42
O=C1CC[C@@H](NC(=O)NCC(F)(F)c2ccc(F)cc2)[C@H](c2ccccc2)N1	ZINC000852383676	GG	On-Demand	Anodyne	CACNA1G	34	41
O=C1CC[C@@H](NC(=O)NC[C@H]2CCN2Cc2ccccc2)[C@H](c2ccccc2)N1	ZINC000852383698	GF	On-Demand	Anodyne	SIGMAR1	19	41
O=C1CC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)[C@H](c2ccccc2)N1	ZINC000852383699	GF	On-Demand	Anodyne	SIGMAR1	19	41
C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1	ZINC000852383705	GD	On-Demand	Reactive	PGA5	43	33
C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C(=O)OC	ZINC000852383717	EF	On-Demand	Mild	MME	46	36
CCN1CC[C@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852383785	ED	On-Demand	Anodyne	CCR3	17	40
CCN1CC[C@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852383786	ED	On-Demand	Anodyne	CCR3	17	40
CCN1CC[C@@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852383787	ED	On-Demand	Anodyne	CCR3	17	40
CCN1CC[C@@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852383788	ED	On-Demand	Anodyne	CCR3	17	40
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852383810	EE	On-Demand	Mild	PGA5	43	32
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852383812	EE	On-Demand	Mild	PGA5	43	32
C=CC[C@H](Cc1ccccc1)NC(=O)NCCN(C)C(=O)OC	ZINC000852383818	DE	On-Demand	Mild	MME	48	36
O=C1CC[C@@H](NC(=O)NC[C@@H]2CCCN(CC3CC3)C2)[C@H](c2ccccc2)N1	ZINC000852383829	GE	On-Demand	Anodyne	CCR3	71	41
O=C1CC[C@@H](NC(=O)NC[C@H]2CCCN(CC3CC3)C2)[C@H](c2ccccc2)N1	ZINC000852383830	GE	On-Demand	Anodyne	CCR3	71	41
C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852383872	FF	On-Demand	Mild	PGA5	43	33
NC(=O)C1CCN(Cc2ccc(CNC(=O)N[C@@H]3C=CCC3)cc2)CC1	ZINC000852383887	FD	On-Demand	Anodyne	SIGMAR1	23	48
NC(=O)C1CCN(Cc2ccc(CNC(=O)N[C@H]3C=CCC3)cc2)CC1	ZINC000852383888	FD	On-Demand	Anodyne	SIGMAR1	23	48
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852383908	GH	On-Demand	Mild	PGC	60	34
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852383908	GH	On-Demand	Mild	PAPA1_CARPA	29	40
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852383908	GH	On-Demand	Mild	CCKAR	53	34
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852383908	GH	On-Demand	Mild	CTSL	17	40
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852383908	GH	On-Demand	Mild	REN	52	40
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852383908	GH	On-Demand	Mild	FPR1	49	36
COCCN(CCF)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1	ZINC000852383941	GD	On-Demand	Anodyne	SIGMAR1	20	44
C#C[C@H](NC(=O)N[C@H](CC=C)Cc1ccccc1)C1CCOCC1	ZINC000852383943	EF	On-Demand	Mild	PGA5	47	35
C#C[C@H](NC(=O)N[C@@H](CC=C)Cc1ccccc1)C1CCOCC1	ZINC000852383944	EF	On-Demand	Mild	PGA5	47	35
C#C[C@@H](NC(=O)N[C@@H](CC=C)Cc1ccccc1)C1CCOCC1	ZINC000852383945	EF	On-Demand	Mild	PGA5	47	35
C#C[C@@H](NC(=O)N[C@H](CC=C)Cc1ccccc1)C1CCOCC1	ZINC000852383946	EF	On-Demand	Mild	PGA5	47	35
O=C1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)[C@H](c2ccccc2)N1	ZINC000852383960	GF	On-Demand	Anodyne	SCN2A	18	42
O=C1CC[C@@H](NC(=O)NCc2cccnc2N2CCCC2)[C@H](c2ccccc2)N1	ZINC000852383960	GF	On-Demand	Anodyne	SCN10A	18	42
O=C1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2)[C@H](c2ccccc2)N1	ZINC000852383976	GH	On-Demand	Anodyne	GRIN1	21	43
O=C1CC[C@@H](NC(=O)N2CC[C@@H](C3CCCCC3)C2)[C@H](c2ccccc2)N1	ZINC000852383995	FH	On-Demand	Anodyne	EPHX2	25	40
O=C1CC[C@@H](NC(=O)N2CC[C@H](C3CCCCC3)C2)[C@H](c2ccccc2)N1	ZINC000852383996	FH	On-Demand	Anodyne	EPHX2	25	40
O=C1CC[C@@H](NC(=O)N2CCC(c3ccco3)CC2)[C@H](c2ccccc2)N1	ZINC000852384012	FG	On-Demand	Anodyne	EPHX2	23	42
CCN1CC[C@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1	ZINC000852384041	EE	On-Demand	Anodyne	MC4R	22	40
CCN1CC[C@@H](NC(=O)N2CCN(c3ccc(C)cc3C)CC2)C1	ZINC000852384042	EE	On-Demand	Anodyne	MC4R	22	40
O=C1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)N1	ZINC000852384043	GH	On-Demand	Anodyne	SSTR3	19	47
O=C1CC[C@@H](NC(=O)NCc2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)N1	ZINC000852384043	GH	On-Demand	Anodyne	DNAE	78	33
COc1ccc(N2CC[C@H](NC(=O)NCC3(CS(C)(=O)=O)CCC3)C2)cc1	ZINC000852384050	GD	On-Demand	Clean	MTNR1A	15	43
CCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384060	GC	On-Demand	Reactive	DRD4	38	48
CCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384060	GC	On-Demand	Reactive	ACHE	24	40
CCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384060	GC	On-Demand	Reactive	CHRM3	16	41
CCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384060	GC	On-Demand	Reactive	SIGMAR1	32	47
CCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384060	GC	On-Demand	Reactive	CCR3	23	42
CCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384060	GC	On-Demand	Reactive	CCR2	15	40
CCN1CC[C@@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384060	GC	On-Demand	Reactive	MCHR1	18	45
CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384061	GC	On-Demand	Reactive	DRD4	38	48
CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384061	GC	On-Demand	Reactive	ACHE	24	40
CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384061	GC	On-Demand	Reactive	CHRM3	16	41
CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384061	GC	On-Demand	Reactive	SIGMAR1	32	47
CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384061	GC	On-Demand	Reactive	CCR3	23	42
CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384061	GC	On-Demand	Reactive	CCR2	15	40
CCN1CC[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)C1	ZINC000852384061	GC	On-Demand	Reactive	MCHR1	18	45
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1	ZINC000852384105	GF	On-Demand	Anodyne	KCNA3	43	36
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	DRD4	25	43
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	ACHE	24	43
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	HRH2	15	40
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	LTA4H	22	52
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	HRH3	21	45
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	SIGMAR1	30	53
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	SSTR5	52	34
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	CCR3	22	43
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	AKT2	29	44
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	AKT1	15	44
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	CXCR3	29	42
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	MCHR1	24	44
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	NPFFR1	44	35
NC(=O)C1CCN(Cc2ccc(CNC(=O)NCc3ncccn3)cc2)CC1	ZINC000852384108	GD	On-Demand	Anodyne	NAMPT	52	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3cccc(OC)c3)C2)cc1	ZINC000852384126	GG	On-Demand	Clean	DRD4	44	36
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3cccc(OC)c3)C2)cc1	ZINC000852384126	GG	On-Demand	Clean	MTNR1A	41	52
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3cccc(OC)c3)C2)cc1	ZINC000852384126	GG	On-Demand	Clean	MTNR1B	36	52
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3c3cccc(OC)c3)C2)cc1	ZINC000852384126	GG	On-Demand	Clean	MCHR1	17	41
CCC1(CC)CCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1	ZINC000852384148	FH	On-Demand	Anodyne	EPHX2	32	47
C=CC[C@H](Cc1ccccc1)NC(=O)NCCC1SCCS1	ZINC000852384152	EH	On-Demand	Mild	MME	46	36
C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1	ZINC000852384159	ED	On-Demand	Mild	EPHX2	22	42
CCN1CC[C@@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852384166	CC	On-Demand	Reactive	CCR3	22	40
CCN1CC[C@H](NC(=O)NNC(=O)c2cccc(F)n2)C1	ZINC000852384167	CC	On-Demand	Reactive	CCR3	22	40
O=C1CC[C@@H](NC(=O)N2CCC(C3CCC3)CC2)[C@H](c2ccccc2)N1	ZINC000852384184	FG	On-Demand	Anodyne	EPHX2	28	46
C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)CC[C@@H](C)O1	ZINC000852384193	EE	On-Demand	Anodyne	EPHX2	24	40
COC(=O)N(C)CCNC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC000852384198	ED	On-Demand	Anodyne	MTNR1A	51	38
COC(=O)N(C)CCNC(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC000852384198	ED	On-Demand	Anodyne	MTNR1B	42	38
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852384203	FG	On-Demand	Mild	PGA5	45	33
C#C[C@H](NC(=O)NC[C@@](CC)(C(=O)OC)c1ccccc1)C1CCOCC1	ZINC000852384316	FE	On-Demand	Mild	AMY2	43	30
C#C[C@@H](NC(=O)NC[C@](CC)(C(=O)OC)c1ccccc1)C1CCOCC1	ZINC000852384318	FE	On-Demand	Mild	AMY2	43	30
C#C[C@H](NC(=O)NC[C@](CC)(C(=O)OC)c1ccccc1)C1CCOCC1	ZINC000852384320	FE	On-Demand	Mild	AMY2	43	30
C#C[C@@H](NC(=O)NC[C@@](CC)(C(=O)OC)c1ccccc1)C1CCOCC1	ZINC000852384322	FE	On-Demand	Mild	AMY2	43	30
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384344	FD	On-Demand	Clean	DRD4	24	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384344	FD	On-Demand	Clean	SIGMAR1	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384344	FD	On-Demand	Clean	CCR3	35	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384344	FD	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384344	FD	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384344	FD	On-Demand	Clean	CCR2	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384344	FD	On-Demand	Clean	MCHR1	24	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384347	FD	On-Demand	Clean	DRD4	24	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384347	FD	On-Demand	Clean	SIGMAR1	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384347	FD	On-Demand	Clean	CCR3	35	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384347	FD	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384347	FD	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384347	FD	On-Demand	Clean	CCR2	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(CC(F)F)C3)C2)cc1	ZINC000852384347	FD	On-Demand	Clean	MCHR1	24	42
CCN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852384380	FF	On-Demand	Anodyne	DRD4	24	41
CCN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852384380	FF	On-Demand	Anodyne	CCR3	55	41
CCN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852384380	FF	On-Demand	Anodyne	CXCR3	18	41
CCN1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852384380	FF	On-Demand	Anodyne	MCHR1	20	43
CCN1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852384383	FF	On-Demand	Anodyne	DRD4	24	41
CCN1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852384383	FF	On-Demand	Anodyne	CCR3	55	41
CCN1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852384383	FF	On-Demand	Anodyne	CXCR3	18	41
CCN1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852384383	FF	On-Demand	Anodyne	MCHR1	20	43
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1	ZINC000852384406	GG	On-Demand	Anodyne	P2RX7	15	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1	ZINC000852384408	GG	On-Demand	Anodyne	P2RX7	15	40
COCCN(CCF)C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1	ZINC000852384435	DE	On-Demand	Anodyne	DRD4	40	31
C=CC[C@H](Cc1ccccc1)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852384456	FD	On-Demand	Reactive	PGA5	42	32
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852384457	GG	On-Demand	Mild	PGA5	44	34
O=C1CC[C@@H](NC(=O)N2CC[C@@H]3C[C@@H]3C2)[C@H](c2ccccc2)N1	ZINC000852384485	DE	On-Demand	Anodyne	EPHX2	24	43
O=C1CC[C@@H](NC(=O)N2CC[C@@H]3C[C@@H]3C2)[C@H](c2ccccc2)N1	ZINC000852384485	DE	On-Demand	Anodyne	RBP4	50	32
O=C1CC[C@@H](NC(=O)N2CC[C@@H]3C[C@H]3C2)[C@H](c2ccccc2)N1	ZINC000852384486	DE	On-Demand	Anodyne	EPHX2	24	43
O=C1CC[C@@H](NC(=O)N2CC[C@@H]3C[C@H]3C2)[C@H](c2ccccc2)N1	ZINC000852384486	DE	On-Demand	Anodyne	RBP4	50	32
O=C1CC[C@@H](NC(=O)N2CC[C@H]3C[C@@H]3C2)[C@H](c2ccccc2)N1	ZINC000852384487	DE	On-Demand	Anodyne	EPHX2	24	43
O=C1CC[C@@H](NC(=O)N2CC[C@H]3C[C@@H]3C2)[C@H](c2ccccc2)N1	ZINC000852384487	DE	On-Demand	Anodyne	RBP4	50	32
O=C1CC[C@@H](NC(=O)N2CC[C@H]3C[C@H]3C2)[C@H](c2ccccc2)N1	ZINC000852384489	DE	On-Demand	Anodyne	EPHX2	24	43
O=C1CC[C@@H](NC(=O)N2CC[C@H]3C[C@H]3C2)[C@H](c2ccccc2)N1	ZINC000852384489	DE	On-Demand	Anodyne	RBP4	50	32
CC(C)c1ccc2c(c1)CN(C(=O)NNC(=O)c1ncccn1)CC2	ZINC000852384562	EE	On-Demand	Reactive	MAPK1	45	35
NC(=O)CC1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852384598	FD	On-Demand	Clean	STAT6	16	41
CNC(=O)CC1(CNC(=O)NNC(=O)c2ncccn2)CCCCC1	ZINC000852384685	EC	On-Demand	Reactive	HCN1	50	31
CNC(=O)CC1(CNC(=O)NNC(=O)c2ncccn2)CCCCC1	ZINC000852384685	EC	On-Demand	Reactive	HCN4	48	31
NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852384710	ED	On-Demand	Reactive	F10	29	43
NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852384710	ED	On-Demand	Reactive	VCP	37	41
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCN(CC(F)F)C1	ZINC000852384716	GD	On-Demand	Clean	CCR3	27	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCN(CC(F)F)C1	ZINC000852384716	GD	On-Demand	Clean	EPHX2	15	42
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852384785	GD	On-Demand	Clean	CCR3	27	43
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852384785	GD	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)nc(C)c3)C2)cc1	ZINC000852384879	FF	On-Demand	Clean	ADAM17	21	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)nc(C)c3)C2)cc1	ZINC000852384879	FF	On-Demand	Clean	MTNR1A	20	50
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)nc(C)c3)C2)cc1	ZINC000852384879	FF	On-Demand	Clean	MTNR1B	19	50
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)nc(C)c3)C2)cc1	ZINC000852384879	FF	On-Demand	Clean	MCHR1	22	49
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@H]1CCN(CC(F)F)C1	ZINC000852384894	GD	On-Demand	Anodyne	CCR3	27	42
O=C(NCc1ccc(N2CCCNC2=O)cc1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852384895	GD	On-Demand	Anodyne	CCR3	27	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC(F)F)C1	ZINC000852384915	GF	On-Demand	Anodyne	CCR3	44	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC(F)F)C1	ZINC000852384915	GF	On-Demand	Anodyne	EPHX2	23	44
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC(F)F)C1	ZINC000852384916	GF	On-Demand	Anodyne	CCR3	44	42
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(CC(F)F)C1	ZINC000852384916	GF	On-Demand	Anodyne	EPHX2	23	44
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	DRD4	31	63
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	ACHE	22	45
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	HRH2	22	43
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	CHRM3	23	42
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	SIGMAR1	32	63
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	SSTR5	56	37
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	CCR3	41	44
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	EPHX2	26	45
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	CXCR3	29	43
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@H]1C=CCC1	ZINC000852384972	GG	On-Demand	Anodyne	MCHR1	45	43
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	DRD4	31	63
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	ACHE	22	45
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	HRH2	22	43
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	CHRM3	23	42
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	SIGMAR1	32	63
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	SSTR5	56	37
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	CCR3	41	44
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	EPHX2	26	45
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	CXCR3	29	43
O=C(NC1CCN(Cc2cccc(Br)c2)CC1)N[C@@H]1C=CCC1	ZINC000852384973	GG	On-Demand	Anodyne	MCHR1	45	43
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852384990	GF	On-Demand	Anodyne	CCR3	44	42
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852384990	GF	On-Demand	Anodyne	EPHX2	23	44
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852384992	GF	On-Demand	Anodyne	CCR3	44	42
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852384992	GF	On-Demand	Anodyne	EPHX2	23	44
O=C(NNc1ccc(Cl)cn1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385001	DD	On-Demand	Reactive	CCR3	15	40
O=C(NNc1ccc(Cl)cn1)N[C@H]1CCN(CC(F)F)C1	ZINC000852385002	DD	On-Demand	Reactive	CCR3	15	40
O=C(N[C@@H]1C[C@H]1c1ccco1)N1CCC(N2CCOC2=O)CC1	ZINC000852385044	DD	On-Demand	Anodyne	EPHX2	19	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(OC)CC3)C2)cc1	ZINC000852385176	ED	On-Demand	Clean	MTNR1A	15	49
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(OC)CC3)C2)cc1	ZINC000852385176	ED	On-Demand	Clean	MTNR1B	15	49
C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N[C@@H]1C=CCC1	ZINC000852385212	DG	On-Demand	Anodyne	CCR3	41	31
C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N[C@H]1C=CCC1	ZINC000852385214	DG	On-Demand	Anodyne	CCR3	41	31
O=C(NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ncccn1	ZINC000852385287	FD	On-Demand	Reactive	KCNH2	43	42
O=C(NNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ncccn1	ZINC000852385287	FD	On-Demand	Reactive	GLRA1	42	34
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ncccn1	ZINC000852385311	GD	On-Demand	Reactive	CNR1	59	41
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ncccn1	ZINC000852385311	GD	On-Demand	Reactive	DRD1	46	38
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ncccn1	ZINC000852385311	GD	On-Demand	Reactive	MC4R	55	37
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ncccn1	ZINC000852385311	GD	On-Demand	Reactive	NPY2R	42	44
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ncccn1	ZINC000852385311	GD	On-Demand	Reactive	CXCR3	23	40
O=C(NNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1)c1ncccn1	ZINC000852385311	GD	On-Demand	Reactive	RBP4	18	44
NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852385326	GF	On-Demand	Anodyne	VCP	41	38
NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000852385327	GF	On-Demand	Anodyne	VCP	41	38
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ncccn1	ZINC000852385355	FD	On-Demand	Reactive	SCD1	18	43
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ncccn1	ZINC000852385355	FD	On-Demand	Reactive	SCD	30	43
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ncccn1	ZINC000852385355	FD	On-Demand	Reactive	TRPM8	29	54
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)c1ncccn1	ZINC000852385363	EC	On-Demand	Reactive	DRD2	22	46
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)c1ncccn1	ZINC000852385363	EC	On-Demand	Reactive	DRD4	16	43
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)c1ncccn1	ZINC000852385363	EC	On-Demand	Reactive	SIGMAR1	22	44
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)c1ncccn1	ZINC000852385364	EC	On-Demand	Reactive	DRD2	22	46
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)c1ncccn1	ZINC000852385364	EC	On-Demand	Reactive	DRD4	16	43
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)c1ncccn1	ZINC000852385364	EC	On-Demand	Reactive	SIGMAR1	22	44
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000852385371	GE	On-Demand	Anodyne	CCR3	31	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000852385372	GE	On-Demand	Anodyne	CCR3	31	40
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000852385373	GE	On-Demand	Anodyne	CCR3	31	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000852385374	GE	On-Demand	Anodyne	CCR3	31	40
CN(c1ccccc1)[C@H]1CCN(C(=O)NNC(=O)c2ncccn2)C1	ZINC000852385389	ED	On-Demand	Reactive	CCR5	20	40
CN(c1ccccc1)[C@@H]1CCN(C(=O)NNC(=O)c2ncccn2)C1	ZINC000852385390	ED	On-Demand	Reactive	CCR5	20	40
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3ncccn3)C2)c1	ZINC000852385394	FD	On-Demand	Reactive	DRD4	40	30
COc1ccc(N2CC[C@H](NC(=O)NCC3(CC(N)=O)CC3)C2)cc1	ZINC000852385474	ED	On-Demand	Clean	MTNR1B	15	45
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000852385604	GD	On-Demand	Anodyne	CCR3	19	40
O=C(NCCS(=O)(=O)CC(F)(F)F)N[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000852385605	GD	On-Demand	Anodyne	CCR3	19	40
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNC(=O)c2ncccn2)C1	ZINC000852385634	FC	On-Demand	Reactive	EPHX2	24	42
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNC(=O)c2ncccn2)C1	ZINC000852385634	FC	On-Demand	Reactive	CCR8	26	41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NNC(=O)c2ncccn2)C1	ZINC000852385634	FC	On-Demand	Reactive	GPR119	47	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)CC3)C2)cc1	ZINC000852385698	FD	On-Demand	Clean	MTNR1A	22	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)CC3)C2)cc1	ZINC000852385698	FD	On-Demand	Clean	MTNR1B	20	45
COc1ccc(N2CC[C@H](NC(=O)NCCCC3(O)CCC3)C2)cc1	ZINC000852385714	EE	On-Demand	Clean	MTNR1B	15	43
O=C(NNC(=O)c1ncccn1)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852385764	EC	On-Demand	Reactive	SLC6A5	17	42
O=C(NNC(=O)c1ncccn1)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852385766	EC	On-Demand	Reactive	SLC6A5	17	42
O=C(NNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ncccn1	ZINC000852385804	GD	On-Demand	Reactive	CCKAR	15	40
O=C(NNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ncccn1	ZINC000852385804	GD	On-Demand	Reactive	BCL2A1	44	33
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385827	GF	On-Demand	Clean	SIGMAR1	16	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385827	GF	On-Demand	Clean	CCR3	36	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385827	GF	On-Demand	Clean	SLC18A3	18	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385827	GF	On-Demand	Clean	MTNR1A	17	50
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385827	GF	On-Demand	Clean	MTNR1B	19	50
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385827	GF	On-Demand	Clean	EPHX2	39	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385827	GF	On-Demand	Clean	MCHR1	17	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385829	GF	On-Demand	Clean	SIGMAR1	16	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385829	GF	On-Demand	Clean	CCR3	36	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385829	GF	On-Demand	Clean	SLC18A3	18	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385829	GF	On-Demand	Clean	MTNR1A	17	50
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385829	GF	On-Demand	Clean	MTNR1B	19	50
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385829	GF	On-Demand	Clean	EPHX2	39	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(F)cc4)C3)C2)cc1	ZINC000852385829	GF	On-Demand	Clean	MCHR1	17	43
O=C(NNC(=O)c1ncccn1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852385840	GD	On-Demand	Reactive	ADAM17	25	41
O=C(NNC(=O)c1ncccn1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852385840	GD	On-Demand	Reactive	SSTR3	33	48
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385930	FF	On-Demand	Anodyne	DRD4	23	42
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385930	FF	On-Demand	Anodyne	SIGMAR1	17	44
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385930	FF	On-Demand	Anodyne	CCR3	32	42
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385932	FF	On-Demand	Anodyne	DRD4	23	42
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385932	FF	On-Demand	Anodyne	SIGMAR1	17	44
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385932	FF	On-Demand	Anodyne	CCR3	32	42
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)F)C1	ZINC000852385934	FF	On-Demand	Anodyne	DRD4	23	42
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)F)C1	ZINC000852385934	FF	On-Demand	Anodyne	SIGMAR1	17	44
O=C(NC[C@@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)F)C1	ZINC000852385934	FF	On-Demand	Anodyne	CCR3	32	42
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)F)C1	ZINC000852385936	FF	On-Demand	Anodyne	DRD4	23	42
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)F)C1	ZINC000852385936	FF	On-Demand	Anodyne	SIGMAR1	17	44
O=C(NC[C@H](O)c1cccc2ccccc12)N[C@H]1CCN(CC(F)F)C1	ZINC000852385936	FF	On-Demand	Anodyne	CCR3	32	42
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385938	FD	On-Demand	Anodyne	CCR3	17	42
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1CCN(CC(F)F)C1	ZINC000852385940	FD	On-Demand	Anodyne	CCR3	17	42
CCC(CC)(CNC(=O)NNC(=O)c1ncccn1)c1ccc(F)cc1	ZINC000852385941	FE	On-Demand	Reactive	CACNA1G	40	45
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)N[C@H]1CCN(CC(F)F)C1	ZINC000852385942	FD	On-Demand	Anodyne	CCR3	17	42
O=C(NC[C@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852385944	FD	On-Demand	Anodyne	CCR3	17	42
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ncccn1	ZINC000852386029	FD	On-Demand	Reactive	CACNA1I	42	35
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ncccn1	ZINC000852386030	FD	On-Demand	Reactive	CACNA1I	42	35
COc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2ncccn2)cc1F	ZINC000852386034	FD	On-Demand	Reactive	ACKR3	44	32
O=C(NCc1ncccn1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852386125	CC	On-Demand	Anodyne	CCR3	16	42
O=C(NCc1ncccn1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852386125	CC	On-Demand	Anodyne	EPHX2	27	40
O=C(NCc1ncccn1)N[C@H]1CCN(CC(F)F)C1	ZINC000852386126	CC	On-Demand	Anodyne	CCR3	16	42
O=C(NCc1ncccn1)N[C@H]1CCN(CC(F)F)C1	ZINC000852386126	CC	On-Demand	Anodyne	EPHX2	27	40
O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1CCN(CC(F)F)C1	ZINC000852386175	EC	On-Demand	Reactive	CCR3	21	41
O=C(NNC(=O)c1cccc(F)n1)N[C@H]1CCN(CC(F)F)C1	ZINC000852386176	EC	On-Demand	Reactive	CCR3	21	41
NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H](O)c2cccc3ccccc23)CC1	ZINC000852386238	FE	On-Demand	Anodyne	VCP	59	39
NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H](O)c2cccc3ccccc23)CC1	ZINC000852386239	FE	On-Demand	Anodyne	VCP	59	39
CCn1nc(C)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852386334	FD	On-Demand	Anodyne	ACHE	27	42
CCn1nc(C)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852386334	FD	On-Demand	Anodyne	HTR4	32	40
CCn1nc(C)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852386334	FD	On-Demand	Anodyne	SSTR5	43	34
CCn1nc(C)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852386334	FD	On-Demand	Anodyne	CCR3	21	42
CCn1nc(C)c(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1	ZINC000852386334	FD	On-Demand	Anodyne	CACNA1I	61	42
CN(C)C1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1	ZINC000852386352	FE	On-Demand	Clean	EPHX2	18	44
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	ZINC000852386401	FD	On-Demand	Mild	PAPA1_CARPA	31	43
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	ZINC000852386401	FD	On-Demand	Mild	CTSK	20	46
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	ZINC000852386401	FD	On-Demand	Mild	CTSL	31	46
C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	ZINC000852386401	FD	On-Demand	Mild	CTSS	25	46
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCSC)NC(=O)c1ccccc1	ZINC000852386402	FD	On-Demand	Mild	PAPA1_CARPA	31	43
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCSC)NC(=O)c1ccccc1	ZINC000852386402	FD	On-Demand	Mild	CTSK	20	46
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCSC)NC(=O)c1ccccc1	ZINC000852386402	FD	On-Demand	Mild	CTSL	31	46
C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCSC)NC(=O)c1ccccc1	ZINC000852386402	FD	On-Demand	Mild	CTSS	25	46
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	ZINC000852386403	FD	On-Demand	Mild	PAPA1_CARPA	31	43
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	ZINC000852386403	FD	On-Demand	Mild	CTSK	20	46
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	ZINC000852386403	FD	On-Demand	Mild	CTSL	31	46
C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	ZINC000852386403	FD	On-Demand	Mild	CTSS	25	46
C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCSC)NC(=O)c1ccccc1	ZINC000852386404	FD	On-Demand	Mild	PAPA1_CARPA	31	43
C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCSC)NC(=O)c1ccccc1	ZINC000852386404	FD	On-Demand	Mild	CTSK	20	46
C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCSC)NC(=O)c1ccccc1	ZINC000852386404	FD	On-Demand	Mild	CTSL	31	46
C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCSC)NC(=O)c1ccccc1	ZINC000852386404	FD	On-Demand	Mild	CTSS	25	46
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852386431	EH	On-Demand	Clean	CACNA1I	52	33
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852386433	EH	On-Demand	Clean	CACNA1I	52	33
CCn1nc(C)c(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852386448	FF	On-Demand	Anodyne	SCD1	15	40
CCn1nc(C)c(CNC(=O)N2CCC3(CCc4ccccc4O3)CC2)n1	ZINC000852386448	FF	On-Demand	Anodyne	TRPM8	17	49
CN(C)C1CCC(NC(=O)NNc2ccc(Cl)cn2)CC1	ZINC000852386597	DE	On-Demand	Reactive	AVPR1A	36	42
CCn1nc(C)c(CNC(=O)N2CCc3nc(-c4ccccc4)sc3C2)n1	ZINC000852386622	GF	On-Demand	Anodyne	P2RY14	46	38
CCn1nc(C)c(CNC(=O)NCC(CC)(CC)c2ccc(F)cc2)n1	ZINC000852386653	FG	On-Demand	Anodyne	CACNA1G	36	42
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(N(C)C)CC3)C2)cc1	ZINC000852386655	FE	On-Demand	Clean	EPHX2	40	39
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(N(C)C)CC3)C2)cc1	ZINC000852386655	FE	On-Demand	Clean	MCHR1	16	52
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386668	JD	On-Demand	Anodyne	P2RY12	185	37
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386668	JD	On-Demand	Anodyne	P2RX3	28	41
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386668	JD	On-Demand	Anodyne	PRNP	40	33
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386668	JD	On-Demand	Anodyne	TGM2	15	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386669	JD	On-Demand	Anodyne	P2RY12	185	37
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386669	JD	On-Demand	Anodyne	P2RX3	28	41
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386669	JD	On-Demand	Anodyne	PRNP	40	33
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386669	JD	On-Demand	Anodyne	TGM2	15	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386670	JD	On-Demand	Anodyne	P2RY12	185	37
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386670	JD	On-Demand	Anodyne	P2RX3	28	41
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386670	JD	On-Demand	Anodyne	PRNP	40	33
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386670	JD	On-Demand	Anodyne	TGM2	15	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386671	JD	On-Demand	Anodyne	P2RY12	185	37
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386671	JD	On-Demand	Anodyne	P2RX3	28	41
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386671	JD	On-Demand	Anodyne	PRNP	40	33
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852386671	JD	On-Demand	Anodyne	TGM2	15	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852386753	JH	On-Demand	Mild	CTRB_BOVIN	45	32
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852386753	JH	On-Demand	Mild	VIPR1	28	46
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852386755	JH	On-Demand	Mild	CTRB_BOVIN	45	32
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852386755	JH	On-Demand	Mild	VIPR1	28	46
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852386758	JH	On-Demand	Mild	CTRB_BOVIN	45	32
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852386758	JH	On-Demand	Mild	VIPR1	28	46
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852386760	JH	On-Demand	Mild	CTRB_BOVIN	45	32
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852386760	JH	On-Demand	Mild	VIPR1	28	46
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386777	JF	On-Demand	Anodyne	P2RY12	149	36
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386777	JF	On-Demand	Anodyne	MC4R	27	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386777	JF	On-Demand	Anodyne	PRNP	42	37
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386779	JF	On-Demand	Anodyne	P2RY12	149	36
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386779	JF	On-Demand	Anodyne	MC4R	27	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386779	JF	On-Demand	Anodyne	PRNP	42	37
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386781	JF	On-Demand	Anodyne	P2RY12	149	36
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386781	JF	On-Demand	Anodyne	MC4R	27	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386781	JF	On-Demand	Anodyne	PRNP	42	37
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386783	JF	On-Demand	Anodyne	P2RY12	149	36
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386783	JF	On-Demand	Anodyne	MC4R	27	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852386783	JF	On-Demand	Anodyne	PRNP	42	37
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386798	ID	On-Demand	Anodyne	ACE	25	43
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386798	ID	On-Demand	Anodyne	GHRHR	47	31
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386798	ID	On-Demand	Anodyne	P2RY12	181	39
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386798	ID	On-Demand	Anodyne	TRY2_BOVIN	48	36
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386798	ID	On-Demand	Anodyne	CCR1	17	53
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386798	ID	On-Demand	Anodyne	CCKBR	29	43
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386798	ID	On-Demand	Anodyne	DPP7	33	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386798	ID	On-Demand	Anodyne	GAG-PRO	58	39
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386800	ID	On-Demand	Anodyne	ACE	25	43
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386800	ID	On-Demand	Anodyne	GHRHR	47	31
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386800	ID	On-Demand	Anodyne	P2RY12	181	39
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386800	ID	On-Demand	Anodyne	TRY2_BOVIN	48	36
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386800	ID	On-Demand	Anodyne	CCR1	17	53
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386800	ID	On-Demand	Anodyne	CCKBR	29	43
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386800	ID	On-Demand	Anodyne	DPP7	33	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386800	ID	On-Demand	Anodyne	GAG-PRO	58	39
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386802	ID	On-Demand	Anodyne	ACE	25	43
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386802	ID	On-Demand	Anodyne	GHRHR	47	31
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386802	ID	On-Demand	Anodyne	P2RY12	181	39
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386802	ID	On-Demand	Anodyne	TRY2_BOVIN	48	36
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386802	ID	On-Demand	Anodyne	CCR1	17	53
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386802	ID	On-Demand	Anodyne	CCKBR	29	43
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386802	ID	On-Demand	Anodyne	DPP7	33	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386802	ID	On-Demand	Anodyne	GAG-PRO	58	39
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386805	ID	On-Demand	Anodyne	ACE	25	43
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386805	ID	On-Demand	Anodyne	GHRHR	47	31
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386805	ID	On-Demand	Anodyne	P2RY12	181	39
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386805	ID	On-Demand	Anodyne	TRY2_BOVIN	48	36
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386805	ID	On-Demand	Anodyne	CCR1	17	53
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386805	ID	On-Demand	Anodyne	CCKBR	29	43
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386805	ID	On-Demand	Anodyne	DPP7	33	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1	ZINC000852386805	ID	On-Demand	Anodyne	GAG-PRO	58	39
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386908	JF	On-Demand	Anodyne	P2RY12	154	36
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386908	JF	On-Demand	Anodyne	MC4R	59	39
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386908	JF	On-Demand	Anodyne	CCKBR	20	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386908	JF	On-Demand	Anodyne	TGM2	18	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386909	JF	On-Demand	Anodyne	P2RY12	154	36
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386909	JF	On-Demand	Anodyne	MC4R	59	39
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386909	JF	On-Demand	Anodyne	CCKBR	20	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386909	JF	On-Demand	Anodyne	TGM2	18	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386910	JF	On-Demand	Anodyne	P2RY12	154	36
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386910	JF	On-Demand	Anodyne	MC4R	59	39
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386910	JF	On-Demand	Anodyne	CCKBR	20	40
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386910	JF	On-Demand	Anodyne	TGM2	18	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386911	JF	On-Demand	Anodyne	P2RY12	154	36
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386911	JF	On-Demand	Anodyne	MC4R	59	39
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386911	JF	On-Demand	Anodyne	CCKBR	20	40
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852386911	JF	On-Demand	Anodyne	TGM2	18	40
CCn1nc(C)c(CNC(=O)NCC2CCN(CC3CC3)CC2)n1	ZINC000852386916	ED	On-Demand	Anodyne	CACNA1I	49	34
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)NC1CCC(C)CC1	ZINC000852386931	HG	On-Demand	Anodyne	GAG-PRO	42	35
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)NC1CCC(C)CC1	ZINC000852386932	HG	On-Demand	Anodyne	GAG-PRO	42	35
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)NC1CCC(C)CC1	ZINC000852386933	HG	On-Demand	Anodyne	GAG-PRO	42	35
CSCC[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)NC1CCC(C)CC1	ZINC000852386934	HG	On-Demand	Anodyne	GAG-PRO	42	35
O=C(N[C@H]1CC12CC2)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852387175	GF	On-Demand	Anodyne	EPHX2	22	42
O=C(N[C@@H]1CC12CC2)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852387176	GF	On-Demand	Anodyne	EPHX2	22	42
CCn1nc(C)c(CNC(=O)N2CCc3cc(OC)ccc3C2)n1	ZINC000852387290	ED	On-Demand	Anodyne	MTNR1A	17	41
CCn1nc(C)c(CNC(=O)N2CCc3cc(OC)ccc3C2)n1	ZINC000852387290	ED	On-Demand	Anodyne	MTNR1B	18	41
CCn1nc(C)c(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852387302	GF	On-Demand	Anodyne	CNR1	72	44
CCn1nc(C)c(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852387302	GF	On-Demand	Anodyne	MC4R	59	35
CCn1nc(C)c(CNC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852387302	GF	On-Demand	Anodyne	CXCR3	17	47
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)[C@H]1CCCOC1	ZINC000852387540	EE	On-Demand	Reactive	RPA1	64	36
O=C(NCc1ccc(Cl)c(Cl)c1)NNC(=O)[C@@H]1CCCOC1	ZINC000852387542	EE	On-Demand	Reactive	RPA1	64	36
O=C(CCCc1ccccc1)NCCNC(=O)NCc1ncccn1	ZINC000852387993	ED	On-Demand	Anodyne	FAAH	75	43
O=C(CCCc1ccccc1)NCCNC(=O)NCc1ncccn1	ZINC000852387993	ED	On-Demand	Anodyne	CES1	69	38
O=C(CCCc1ccccc1)NCCNC(=O)NCc1ncccn1	ZINC000852387993	ED	On-Demand	Anodyne	SUCNR1	50	42
O=C(CCCc1ccccc1)NCCNC(=O)NCc1ncccn1	ZINC000852387993	ED	On-Demand	Anodyne	CES1D	45	31
O=C(CCCc1ccccc1)NCCNC(=O)NCCC1SCCS1	ZINC000852388019	GF	On-Demand	Anodyne	MTNR1A	21	40
O=C(CCCc1ccccc1)NCCNC(=O)NCCC1SCCS1	ZINC000852388019	GF	On-Demand	Anodyne	MTNR1B	20	40
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)N1CCC(c3ccon3)CC1)C2	ZINC000852388051	GE	On-Demand	Anodyne	SMO	31	40
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)N1CCC(c3ccon3)CC1)C2	ZINC000852388053	GE	On-Demand	Anodyne	SMO	31	40
CCn1nc(C)c(CNC(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)n1	ZINC000852388118	EC	On-Demand	Anodyne	MCHR1	22	41
CCn1nc(C)c(CNC(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)n1	ZINC000852388119	EC	On-Demand	Anodyne	MCHR1	22	41
CCn1nc(C)c(CNC(=O)NCCc2ccnc3ccccc23)n1	ZINC000852388135	EE	On-Demand	Anodyne	MTNR1A	18	42
CN(C)C1CCC(NC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)CC1	ZINC000852388217	GG	On-Demand	Anodyne	EPHX2	41	37
CCn1nc(C)c(CNC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852388231	GF	On-Demand	Anodyne	CCR1	19	41
CCn1nc(C)c(CNC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852388231	GF	On-Demand	Anodyne	RPA1	81	35
O=C(CCCc1ccccc1)NCCNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852388282	GD	On-Demand	Anodyne	PREP	40	40
O=C(CCCc1ccccc1)NCCNC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852388282	GD	On-Demand	Anodyne	NPSR1	25	41
O=C(CCCc1ccccc1)NCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852388283	GD	On-Demand	Anodyne	PREP	40	40
O=C(CCCc1ccccc1)NCCNC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852388283	GD	On-Demand	Anodyne	NPSR1	25	41
O=C(CCCc1ccccc1)NCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852388327	GF	On-Demand	Reactive	METAP1	29	41
O=C(CCCc1ccccc1)NCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852388327	GF	On-Demand	Reactive	FAAH	41	36
O=C(CCCc1ccccc1)NCCNC(=O)NNc1ccc(Cl)cn1	ZINC000852388327	GF	On-Demand	Reactive	CES1D	44	31
C#C[C@H](NC(=O)NCCNC(=O)CCCc1ccccc1)C1CCOCC1	ZINC000852388355	FD	On-Demand	Mild	MMP2	68	36
C#C[C@@H](NC(=O)NCCNC(=O)CCCc1ccccc1)C1CCOCC1	ZINC000852388356	FD	On-Demand	Mild	MMP2	68	36
COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)NCCc1cn(C)c3ccccc13)C2	ZINC000852388375	GF	On-Demand	Anodyne	MTNR1A	15	41
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)NCCc1cn(C)c3ccccc13)C2	ZINC000852388376	GF	On-Demand	Anodyne	MTNR1A	15	41
COc1ccc(N2CC[C@H](NC(=O)NCCCCS(C)(=O)=O)C2)cc1	ZINC000852388667	FD	On-Demand	Clean	BMP1	18	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCS(C)(=O)=O)C2)cc1	ZINC000852388667	FD	On-Demand	Clean	MTNR1A	15	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@@H]3CC34CC4)C2)CC1	ZINC000852388722	GH	On-Demand	Anodyne	GPR119	24	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@@H]3CC34CC4)C2)CC1	ZINC000852388724	GH	On-Demand	Anodyne	GPR119	24	45
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@H]3CC34CC4)C2)CC1	ZINC000852388726	GH	On-Demand	Anodyne	GPR119	24	45
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@H]3CC34CC4)C2)CC1	ZINC000852388728	GH	On-Demand	Anodyne	GPR119	24	45
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1CCCOC1	ZINC000852388797	GD	On-Demand	Reactive	ACHE	24	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1CCCOC1	ZINC000852388797	GD	On-Demand	Reactive	HTR4	40	36
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1CCCOC1	ZINC000852388797	GD	On-Demand	Reactive	SIGMAR1	18	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@H]1CCCOC1	ZINC000852388797	GD	On-Demand	Reactive	CACNA1I	54	39
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388798	GD	On-Demand	Reactive	ACHE	24	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388798	GD	On-Demand	Reactive	HTR4	40	36
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388798	GD	On-Demand	Reactive	SIGMAR1	18	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388798	GD	On-Demand	Reactive	CACNA1I	54	39
O=C(NCC(F)(F)c1ccc(F)cc1)NNC(=O)[C@H]1CCCOC1	ZINC000852388809	ED	On-Demand	Reactive	CACNA1G	36	40
O=C(NCC(F)(F)c1ccc(F)cc1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388810	ED	On-Demand	Reactive	CACNA1G	36	40
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388872	ED	On-Demand	Reactive	DRD2	15	45
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388872	ED	On-Demand	Reactive	SIGMAR1	15	42
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)[C@H]1CCCOC1	ZINC000852388873	ED	On-Demand	Reactive	DRD2	15	45
O=C(NC[C@@H]1CCN1Cc1ccccc1)NNC(=O)[C@H]1CCCOC1	ZINC000852388873	ED	On-Demand	Reactive	SIGMAR1	15	42
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388874	ED	On-Demand	Reactive	DRD2	15	45
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)[C@@H]1CCCOC1	ZINC000852388874	ED	On-Demand	Reactive	SIGMAR1	15	42
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)[C@H]1CCCOC1	ZINC000852388875	ED	On-Demand	Reactive	DRD2	15	45
O=C(NC[C@H]1CCN1Cc1ccccc1)NNC(=O)[C@H]1CCCOC1	ZINC000852388875	ED	On-Demand	Reactive	SIGMAR1	15	42
Cn1cc(CCNC(=O)NNC(=O)[C@H]2CCCOC2)c2ccccc21	ZINC000852388879	ED	On-Demand	Reactive	MTNR1B	16	42
Cn1cc(CCNC(=O)NNC(=O)[C@@H]2CCCOC2)c2ccccc21	ZINC000852388880	ED	On-Demand	Reactive	MTNR1B	16	42
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCCOC1)c1ccc(F)cc1	ZINC000852388900	FF	On-Demand	Reactive	CACNA1G	45	52
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCCOC1)c1ccc(F)cc1	ZINC000852388901	FF	On-Demand	Reactive	CACNA1G	45	52
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@H]1CCCOC1	ZINC000852388983	FE	On-Demand	Reactive	TRPM8	26	51
O=C(NNC(=O)N1CCC2(CCc3ccccc3O2)CC1)[C@@H]1CCCOC1	ZINC000852388984	FE	On-Demand	Reactive	TRPM8	26	51
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)N[C@@H]3CC34CC4)CC2)C1	ZINC000852389008	GH	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)N[C@@H]3CC34CC4)CC2)C1	ZINC000852389009	GH	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)N[C@H]3CC34CC4)CC2)C1	ZINC000852389010	GH	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)N[C@H]3CC34CC4)CC2)C1	ZINC000852389011	GH	On-Demand	Anodyne	GPR119	15	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1CCCOC1	ZINC000852389036	EC	On-Demand	Reactive	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1CCCOC1	ZINC000852389036	EC	On-Demand	Reactive	SCN10A	22	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1CCCOC1	ZINC000852389037	EC	On-Demand	Reactive	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1CCCOC1	ZINC000852389037	EC	On-Demand	Reactive	SCN10A	22	42
CN1C(=O)CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852389048	GD	On-Demand	Anodyne	NPY1R	31	44
CN1C(=O)CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852389048	GD	On-Demand	Anodyne	CCKAR	33	49
CN1C(=O)CC[C@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852389048	GD	On-Demand	Anodyne	CCKBR	39	49
CN1C(=O)CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852389049	GD	On-Demand	Anodyne	NPY1R	31	44
CN1C(=O)CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852389049	GD	On-Demand	Anodyne	CCKAR	33	49
CN1C(=O)CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O	ZINC000852389049	GD	On-Demand	Anodyne	CCKBR	39	49
O=C(NNC(=O)[C@@H]1CCCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852389085	GD	On-Demand	Reactive	SSTR3	29	44
O=C(NNC(=O)[C@H]1CCCOC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852389086	GD	On-Demand	Reactive	SSTR3	29	44
O=C1C[C@H](C(=O)NNC(=O)N2CCC3(CCc4ccccc4O3)CC2)CN1	ZINC000852389163	FC	On-Demand	Reactive	TRPM8	28	51
O=C1C[C@@H](C(=O)NNC(=O)N2CCC3(CCc4ccccc4O3)CC2)CN1	ZINC000852389165	FC	On-Demand	Reactive	TRPM8	28	51
O=C(NCCc1ccnc2ccccc12)NNC(=O)[C@H]1CCCOC1	ZINC000852389350	ED	On-Demand	Reactive	HNMT	42	36
O=C(NCCc1ccnc2ccccc12)NNC(=O)[C@@H]1CCCOC1	ZINC000852389351	ED	On-Demand	Reactive	HNMT	42	36
O=C1C[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)c(Cl)c2)CN1	ZINC000852389434	EC	On-Demand	Reactive	P2RX7	17	43
O=C1C[C@@H](C(=O)NNC(=O)NCc2ccc(Cl)c(Cl)c2)CN1	ZINC000852389434	EC	On-Demand	Reactive	DNAE	83	36
O=C1C[C@H](C(=O)NNC(=O)NCc2ccc(Cl)c(Cl)c2)CN1	ZINC000852389435	EC	On-Demand	Reactive	P2RX7	17	43
O=C1C[C@H](C(=O)NNC(=O)NCc2ccc(Cl)c(Cl)c2)CN1	ZINC000852389435	EC	On-Demand	Reactive	DNAE	83	36
CCO[C@]1(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)CCOC1	ZINC000852389592	GC	On-Demand	Reactive	SCN10A	19	40
CCO[C@@]1(C(=O)NNC(=O)NCc2cccnc2N2CCCC2)CCOC1	ZINC000852389593	GC	On-Demand	Reactive	SCN10A	19	40
O=C1C[C@@H](C(=O)NNC(=O)NCc2cccnc2N2CCCC2)CN1	ZINC000852389684	EB	On-Demand	Reactive	SCN2A	19	46
O=C1C[C@@H](C(=O)NNC(=O)NCc2cccnc2N2CCCC2)CN1	ZINC000852389684	EB	On-Demand	Reactive	SCN10A	20	46
O=C1C[C@H](C(=O)NNC(=O)NCc2cccnc2N2CCCC2)CN1	ZINC000852389686	EB	On-Demand	Reactive	SCN2A	19	46
O=C1C[C@H](C(=O)NNC(=O)NCc2cccnc2N2CCCC2)CN1	ZINC000852389686	EB	On-Demand	Reactive	SCN10A	20	46
O=C1C[C@@H](C(=O)NNC(=O)NCC(F)(F)c2ccc(F)cc2)CN1	ZINC000852389767	EC	On-Demand	Reactive	CACNA1G	33	40
O=C1C[C@H](C(=O)NNC(=O)NCC(F)(F)c2ccc(F)cc2)CN1	ZINC000852389775	EC	On-Demand	Reactive	CACNA1G	33	40
O=C1C[C@@H](C(=O)NNC(=O)NCc2cc(F)ccc2OC(F)F)CN1	ZINC000852389844	FC	On-Demand	Reactive	P2RX7	21	41
O=C1C[C@H](C(=O)NNC(=O)NCc2cc(F)ccc2OC(F)F)CN1	ZINC000852389845	FC	On-Demand	Reactive	P2RX7	21	41
O=C1C[C@H](C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CN1	ZINC000852389876	FB	On-Demand	Reactive	ACHE	28	44
O=C1C[C@H](C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CN1	ZINC000852389876	FB	On-Demand	Reactive	SIGMAR1	23	44
O=C1C[C@H](C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CN1	ZINC000852389876	FB	On-Demand	Reactive	CCR3	17	40
O=C1C[C@H](C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CN1	ZINC000852389876	FB	On-Demand	Reactive	CACNA1I	60	42
O=C1C[C@@H](C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CN1	ZINC000852389877	FB	On-Demand	Reactive	ACHE	28	44
O=C1C[C@@H](C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CN1	ZINC000852389877	FB	On-Demand	Reactive	SIGMAR1	23	44
O=C1C[C@@H](C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CN1	ZINC000852389877	FB	On-Demand	Reactive	CCR3	17	40
O=C1C[C@@H](C(=O)NNC(=O)NCC2CCN(Cc3ccncc3)CC2)CN1	ZINC000852389877	FB	On-Demand	Reactive	CACNA1I	60	42
O=C1C[C@@H](C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CN1	ZINC000852390237	GC	On-Demand	Reactive	SSTR3	28	42
O=C1C[C@H](C(=O)NNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CN1	ZINC000852390239	GC	On-Demand	Reactive	SSTR3	28	42
O=C1C[C@@H](C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)CN1	ZINC000852390467	EB	On-Demand	Reactive	CACNA1I	51	33
O=C1C[C@H](C(=O)NNC(=O)NCC2CCN(CC3CC3)CC2)CN1	ZINC000852390469	EB	On-Demand	Reactive	CACNA1I	51	33
CCO[C@@]1(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)CCOC1	ZINC000852390520	GC	On-Demand	Reactive	SIGMAR1	15	40
CCO[C@@]1(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CCOC1	ZINC000852390521	GC	On-Demand	Reactive	SIGMAR1	15	40
CCO[C@]1(C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CCOC1	ZINC000852390522	GC	On-Demand	Reactive	SIGMAR1	15	40
CCO[C@]1(C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)CCOC1	ZINC000852390523	GC	On-Demand	Reactive	SIGMAR1	15	40
N#Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCOC2)cc1	ZINC000852390622	DC	On-Demand	Reactive	GPBAR1	35	44
N#Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCOC2)cc1	ZINC000852390623	DC	On-Demand	Reactive	GPBAR1	35	44
CCO[C@@]1(C(=O)NNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)CCOC1	ZINC000852390652	GC	On-Demand	Reactive	PYGL	30	42
CCO[C@@]1(C(=O)NNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)CCOC1	ZINC000852390652	GC	On-Demand	Reactive	PYGM	27	42
CCO[C@]1(C(=O)NNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)CCOC1	ZINC000852390653	GC	On-Demand	Reactive	PYGL	30	42
CCO[C@]1(C(=O)NNC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)CCOC1	ZINC000852390653	GC	On-Demand	Reactive	PYGM	27	42
CCO[C@]1(C(=O)NNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)CCOC1	ZINC000852390654	GC	On-Demand	Reactive	PYGL	30	42
CCO[C@]1(C(=O)NNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)CCOC1	ZINC000852390654	GC	On-Demand	Reactive	PYGM	27	42
CCO[C@@]1(C(=O)NNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)CCOC1	ZINC000852390655	GC	On-Demand	Reactive	PYGL	30	42
CCO[C@@]1(C(=O)NNC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)CCOC1	ZINC000852390655	GC	On-Demand	Reactive	PYGM	27	42
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CNC(=O)C1)c1ccc(F)cc1	ZINC000852391047	FD	On-Demand	Reactive	CACNA1G	44	52
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)cc1	ZINC000852391048	FD	On-Demand	Reactive	CACNA1G	44	52
O=C1C[C@H](C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CN1	ZINC000852391251	EB	On-Demand	Reactive	SIGMAR1	17	40
O=C1C[C@@H](C(=O)NNC(=O)NC[C@@H]2CCN2Cc2ccccc2)CN1	ZINC000852391253	EB	On-Demand	Reactive	SIGMAR1	17	40
O=C1C[C@H](C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)CN1	ZINC000852391255	EB	On-Demand	Reactive	SIGMAR1	17	40
O=C1C[C@@H](C(=O)NNC(=O)NC[C@H]2CCN2Cc2ccccc2)CN1	ZINC000852391257	EB	On-Demand	Reactive	SIGMAR1	17	40
CCO[C@@]1(C(=O)NNC(=O)NCC(CC)(CC)c2ccc(F)cc2)CCOC1	ZINC000852391319	GE	On-Demand	Reactive	CACNA1G	36	43
CCO[C@]1(C(=O)NNC(=O)NCC(CC)(CC)c2ccc(F)cc2)CCOC1	ZINC000852391321	GE	On-Demand	Reactive	CACNA1G	36	43
O=C1C[C@H](C(=O)NNC(=O)NCc2cccc(OC3CC3)c2F)CN1	ZINC000852391360	FC	On-Demand	Reactive	P2RX7	24	40
O=C1C[C@@H](C(=O)NNC(=O)NCc2cccc(OC3CC3)c2F)CN1	ZINC000852391361	FC	On-Demand	Reactive	P2RX7	24	40
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852391544	GE	On-Demand	Anodyne	ASAH1	56	32
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852391545	GE	On-Demand	Anodyne	ASAH1	56	32
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852391546	GE	On-Demand	Anodyne	ASAH1	56	32
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852391547	GE	On-Demand	Anodyne	ASAH1	56	32
CC(C)(C)OC(=O)NCCCCCCNC(=O)N[C@@H]1COC(C)(C)C1	ZINC000852391704	FF	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)OC(=O)NCCCCCCNC(=O)N[C@H]1COC(C)(C)C1	ZINC000852391705	FF	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1C[C@H]2CC[C@@H](C2)C1	ZINC000852391814	FH	On-Demand	Anodyne	EPHX2	17	43
C#C[C@H](NC(=O)N1CC[C@@H]2C[C@H]2C1)c1ccccc1	ZINC000852391845	CE	On-Demand	Mild	RBP4	68	43
C#C[C@H](NC(=O)N1CC[C@@H]2C[C@@H]2C1)c1ccccc1	ZINC000852391847	CE	On-Demand	Mild	RBP4	68	43
C#C[C@H](NC(=O)N1CC[C@H]2C[C@H]2C1)c1ccccc1	ZINC000852391849	CE	On-Demand	Mild	RBP4	68	43
C#C[C@H](NC(=O)N1CC[C@H]2C[C@@H]2C1)c1ccccc1	ZINC000852391851	CE	On-Demand	Mild	RBP4	68	43
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391886	FF	On-Demand	Mild	DRD4	23	42
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391886	FF	On-Demand	Mild	ACHE	46	49
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391886	FF	On-Demand	Mild	SLC6A3	17	47
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391886	FF	On-Demand	Mild	HTR4	46	44
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391886	FF	On-Demand	Mild	SIGMAR1	37	41
C#C[C@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391886	FF	On-Demand	Mild	CACNA1I	55	38
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391888	FF	On-Demand	Mild	DRD4	23	42
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391888	FF	On-Demand	Mild	ACHE	46	49
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391888	FF	On-Demand	Mild	SLC6A3	17	47
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391888	FF	On-Demand	Mild	HTR4	46	44
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391888	FF	On-Demand	Mild	SIGMAR1	37	41
C#C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)c1ccccc1	ZINC000852391888	FF	On-Demand	Mild	CACNA1I	55	38
O=C(NC[C@@H](O)c1cc(F)c(F)c(F)c1)N[C@@H]1CCO[C@@H](c2cccnc2)C1	ZINC000852391922	GF	On-Demand	Anodyne	C3AR1	17	40
C#C[C@H](NC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c1ccccc1	ZINC000852391950	GJ	On-Demand	Mild	NAALAD2	27	40
C#C[C@@H](NC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c1ccccc1	ZINC000852391951	GJ	On-Demand	Mild	NAALAD2	27	40
C#C[C@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852392145	ED	On-Demand	Mild	CCR5	42	39
C#C[C@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852392147	ED	On-Demand	Mild	CCR5	42	39
C#C[C@@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852392149	ED	On-Demand	Mild	CCR5	42	39
C#C[C@@H](NC(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1)c1ccccc1	ZINC000852392156	ED	On-Demand	Mild	CCR5	42	39
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852392190	EF	On-Demand	Mild	KCNQ2	46	36
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852392190	EF	On-Demand	Mild	SCN2A	18	43
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852392190	EF	On-Demand	Mild	SCN10A	25	43
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852392191	EF	On-Demand	Mild	KCNQ2	46	36
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852392191	EF	On-Demand	Mild	SCN2A	18	43
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852392191	EF	On-Demand	Mild	SCN10A	25	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CC(F)F)C2)cc1	ZINC000852392194	EF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CC(F)F)C2)cc1	ZINC000852392194	EF	On-Demand	Clean	MTNR1B	18	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CC(F)F)C2)cc1	ZINC000852392196	EF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CC(F)F)C2)cc1	ZINC000852392196	EF	On-Demand	Clean	MTNR1B	18	45
C#C[C@H](NC(=O)N1CCc2ccc(C)cc2C1)c1ccccc1	ZINC000852392243	DG	On-Demand	Mild	HDAC6	24	42
C#C[C@@H](NC(=O)N1CCc2ccc(C)cc2C1)c1ccccc1	ZINC000852392244	DG	On-Demand	Mild	HDAC6	24	42
C#C[C@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852392248	DD	On-Demand	Mild	WNT3	40	31
C#C[C@@H](NC(=O)N1CCC[C@@H]1CS(C)(=O)=O)c1ccccc1	ZINC000852392249	DD	On-Demand	Mild	WNT3	40	31
C[C@@H](NC(=O)N1CCc2nccnc2C1)c1ccc(N2CCNC2=O)cc1	ZINC000852392350	FD	On-Demand	Anodyne	MAPK1	52	42
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N2CCNC2=O)cc1	ZINC000852392380	GF	On-Demand	Anodyne	HTR4	38	41
C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N2CCNC2=O)cc1	ZINC000852392380	GF	On-Demand	Anodyne	CACNA1I	59	34
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N2CCNC2=O)cc1	ZINC000852392382	GF	On-Demand	Anodyne	HTR4	38	41
C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccc(N2CCNC2=O)cc1	ZINC000852392382	GF	On-Demand	Anodyne	CACNA1I	59	34
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392441	DG	On-Demand	Mild	DRD5	17	40
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392441	DG	On-Demand	Mild	MTNR1A	16	44
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392441	DG	On-Demand	Mild	MTNR1B	29	44
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392441	DG	On-Demand	Mild	HDAC6	16	40
C#C[C@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392441	DG	On-Demand	Mild	AKR1C3	20	43
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392442	DG	On-Demand	Mild	DRD5	17	40
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392442	DG	On-Demand	Mild	MTNR1A	16	44
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392442	DG	On-Demand	Mild	MTNR1B	29	44
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392442	DG	On-Demand	Mild	HDAC6	16	40
C#C[C@@H](NC(=O)N1CCc2cc(OC)ccc2C1)c1ccccc1	ZINC000852392442	DG	On-Demand	Mild	AKR1C3	20	43
C#C[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)C1)c1ccccc1	ZINC000852392547	CE	On-Demand	Mild	TIMP3	70	36
C#C[C@@H](NC(=O)N[C@@H]1C[C@@H](OCC)C1)c1ccccc1	ZINC000852392549	CE	On-Demand	Mild	TIMP3	70	36
C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccc(N2CCNC2=O)cc1	ZINC000852392638	GF	On-Demand	Anodyne	CCR3	53	38
C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(N2CCNC2=O)cc1	ZINC000852392639	GF	On-Demand	Anodyne	CCR3	53	38
C[C@@H](OC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852392659	JI	On-Demand	Anodyne	KCNQ2	19	45
C#C[C@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392666	CE	On-Demand	Mild	DRD4	18	40
C#C[C@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392666	CE	On-Demand	Mild	SIGMAR1	19	43
C#C[C@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392666	CE	On-Demand	Mild	CCR5	52	41
C#C[C@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392666	CE	On-Demand	Mild	BIRC2	44	42
C#C[C@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392667	CE	On-Demand	Mild	DRD4	18	40
C#C[C@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392667	CE	On-Demand	Mild	SIGMAR1	19	43
C#C[C@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392667	CE	On-Demand	Mild	CCR5	52	41
C#C[C@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392667	CE	On-Demand	Mild	BIRC2	44	42
C#C[C@@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392668	CE	On-Demand	Mild	DRD4	18	40
C#C[C@@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392668	CE	On-Demand	Mild	SIGMAR1	19	43
C#C[C@@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392668	CE	On-Demand	Mild	CCR5	52	41
C#C[C@@H](NC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392668	CE	On-Demand	Mild	BIRC2	44	42
C#C[C@@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392669	CE	On-Demand	Mild	DRD4	18	40
C#C[C@@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392669	CE	On-Demand	Mild	SIGMAR1	19	43
C#C[C@@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392669	CE	On-Demand	Mild	CCR5	52	41
C#C[C@@H](NC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1	ZINC000852392669	CE	On-Demand	Mild	BIRC2	44	42
O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCOC2=O)CC1	ZINC000852392693	EE	On-Demand	Anodyne	EPHX2	22	40
C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccc(N2CCNC2=O)cc1	ZINC000852392774	GF	On-Demand	Anodyne	CCR3	53	38
COCCN(CCF)C(=O)NCc1ccc2c(c1)OC(F)(F)O2	ZINC000852392786	EE	On-Demand	Anodyne	KIT	22	41
COCCN(CCF)C(=O)NCc1ccc2c(c1)OC(F)(F)O2	ZINC000852392786	EE	On-Demand	Anodyne	BRAF	18	40
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@@H]2C[C@H]2C1	ZINC000852392897	EG	On-Demand	Anodyne	ASAH1	49	34
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@H]2C[C@H]2C1	ZINC000852392898	EG	On-Demand	Anodyne	ASAH1	49	34
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@@H]2C[C@@H]2C1	ZINC000852392899	EG	On-Demand	Anodyne	ASAH1	49	34
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@H]2C[C@@H]2C1	ZINC000852392900	EG	On-Demand	Anodyne	ASAH1	49	34
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H](C1CCCCC1)C1CCC1	ZINC000852392904	GI	On-Demand	Clean	PROC	44	34
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H](C1CCCCC1)C1CCC1	ZINC000852392905	GI	On-Demand	Clean	PROC	44	34
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852392941	FI	On-Demand	Mild	CHRM1	15	42
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852392941	FI	On-Demand	Mild	KCNH2	40	38
C#C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852392941	FI	On-Demand	Mild	GLRA1	42	32
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852392942	FI	On-Demand	Mild	CHRM1	15	42
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852392942	FI	On-Demand	Mild	KCNH2	40	38
C#C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852392942	FI	On-Demand	Mild	GLRA1	42	32
C#C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852393032	FE	On-Demand	Mild	RBP4	45	38
C#C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852393033	FE	On-Demand	Mild	RBP4	45	38
C#C[C@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852393124	EF	On-Demand	Mild	SLC6A1	40	36
C#C[C@@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852393125	EF	On-Demand	Mild	SLC6A1	40	36
C#C[C@H](NC(=O)NC[C@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852393126	EF	On-Demand	Mild	SLC6A1	40	36
C#C[C@@H](NC(=O)NC[C@@H]1CCCN(CC2CC2)C1)c1ccccc1	ZINC000852393128	EF	On-Demand	Mild	SLC6A1	40	36
CC(C)(C)OC(=O)NCCCCCCNC(=O)N[C@@H]1COC2(CCC2)C1	ZINC000852393167	FG	On-Demand	Anodyne	EPHX2	15	41
CC(C)(C)OC(=O)NCCCCCCNC(=O)N[C@H]1COC2(CCC2)C1	ZINC000852393168	FG	On-Demand	Anodyne	EPHX2	15	41
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852393233	GI	On-Demand	Anodyne	ADRA1A	45	37
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852393233	GI	On-Demand	Anodyne	ASAH1	87	35
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852393234	GI	On-Demand	Anodyne	ADRA1A	45	37
CC(C)(C)OC(=O)NCCCCCCNC(=O)N1CC[C@H]1c1ccc(F)cc1	ZINC000852393234	GI	On-Demand	Anodyne	ASAH1	87	35
C#C[C@H](NC(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852393321	EF	On-Demand	Mild	RBP4	40	36
C#C[C@H](NC(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852393322	EF	On-Demand	Mild	RBP4	40	36
C#C[C@@H](NC(=O)N1CCO[C@@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852393323	EF	On-Demand	Mild	RBP4	40	36
C#C[C@@H](NC(=O)N1CCO[C@H](CC(F)(F)F)C1)c1ccccc1	ZINC000852393324	EF	On-Demand	Mild	RBP4	40	36
C#C[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393393	GI	On-Demand	Mild	PAPA1_CARPA	33	40
C#C[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393393	GI	On-Demand	Mild	CCKAR	20	42
C#C[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393393	GI	On-Demand	Mild	CCKBR	15	42
C#C[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393393	GI	On-Demand	Mild	FPR1	45	33
C#C[C@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393393	GI	On-Demand	Mild	PDS	53	33
C#C[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393395	GI	On-Demand	Mild	PAPA1_CARPA	33	40
C#C[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393395	GI	On-Demand	Mild	CCKAR	20	42
C#C[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393395	GI	On-Demand	Mild	CCKBR	15	42
C#C[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393395	GI	On-Demand	Mild	FPR1	45	33
C#C[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1	ZINC000852393395	GI	On-Demand	Mild	PDS	53	33
C#C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)c1ccccc1	ZINC000852393454	FD	On-Demand	Mild	RBP4	42	39
C#C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)c1ccccc1	ZINC000852393455	FD	On-Demand	Mild	RBP4	42	39
C[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852393540	GF	On-Demand	Anodyne	EPHX2	24	41
C[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852393540	GF	On-Demand	Anodyne	RBP4	42	37
C#C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2OC)CC1)c1ccccc1	ZINC000852393565	GF	On-Demand	Mild	NPY2R	17	43
C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2OC)CC1)c1ccccc1	ZINC000852393566	GF	On-Demand	Mild	NPY2R	17	43
COC(=O)N(C)CCNC(=O)NCc1ccc(COc2cccc(F)c2)cc1	ZINC000852393575	GF	On-Demand	Anodyne	MAOB	16	42
COC(=O)N(C)CCNC(=O)NCc1ccc(COc2cccc(F)c2)cc1	ZINC000852393575	GF	On-Demand	Anodyne	PDS	46	43
C#C[C@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)c1ccccc1	ZINC000852393638	EG	On-Demand	Mild	CCR5	46	40
C#C[C@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)c1ccccc1	ZINC000852393639	EG	On-Demand	Mild	CCR5	46	40
C#C[C@@H](NC(=O)N1CC[C@H](N(C)c2ccccc2)C1)c1ccccc1	ZINC000852393640	EG	On-Demand	Mild	CCR5	46	40
C#C[C@@H](NC(=O)N1CC[C@@H](N(C)c2ccccc2)C1)c1ccccc1	ZINC000852393641	EG	On-Demand	Mild	CCR5	46	40
C#C[C@H](NC(=O)N(C)CC1CN(C)C1)c1ccccc1	ZINC000852393662	CD	On-Demand	Mild	CCR5	33	43
C#C[C@@H](NC(=O)N(C)CC1CN(C)C1)c1ccccc1	ZINC000852393663	CD	On-Demand	Mild	CCR5	33	43
C#C[C@H](NC(=O)N[C@H](C)CN1CCC(C)CC1)c1ccccc1	ZINC000852393783	DF	On-Demand	Mild	PLD1	49	38
C#C[C@@H](NC(=O)N[C@@H](C)CN1CCC(C)CC1)c1ccccc1	ZINC000852393784	DF	On-Demand	Mild	PLD1	49	38
C#C[C@@H](NC(=O)N[C@H](C)CN1CCC(C)CC1)c1ccccc1	ZINC000852393786	DF	On-Demand	Mild	PLD1	49	38
C#C[C@H](NC(=O)N[C@@H](C)CN1CCC(C)CC1)c1ccccc1	ZINC000852393788	DF	On-Demand	Mild	PLD1	49	38
C#C[C@@H](NC(=O)N1CCC[C@H](CC=C)C1)c1ccccc1	ZINC000852393869	CG	On-Demand	Mild	REN	15	41
C#C[C@@H](NC(=O)N1CCC[C@@H](CC=C)C1)c1ccccc1	ZINC000852393870	CG	On-Demand	Mild	REN	15	41
C#C[C@H](NC(=O)N1CCC[C@H](CC=C)C1)c1ccccc1	ZINC000852393871	CG	On-Demand	Mild	REN	15	41
C#C[C@H](NC(=O)N1CCC[C@@H](CC=C)C1)c1ccccc1	ZINC000852393872	CG	On-Demand	Mild	REN	15	41
C#C[C@H](NC(=O)N1CCN(c2ccc(OCC)nn2)CC1)c1ccccc1	ZINC000852394112	FE	On-Demand	Mild	P2RY12	28	41
C#C[C@H](NC(=O)N1CCN(c2ccc(OCC)nn2)CC1)c1ccccc1	ZINC000852394112	FE	On-Demand	Mild	SCD1	35	40
C#C[C@H](NC(=O)N1CCN(c2ccc(OCC)nn2)CC1)c1ccccc1	ZINC000852394112	FE	On-Demand	Mild	SCD	31	40
C#C[C@@H](NC(=O)N1CCN(c2ccc(OCC)nn2)CC1)c1ccccc1	ZINC000852394113	FE	On-Demand	Mild	P2RY12	28	41
C#C[C@@H](NC(=O)N1CCN(c2ccc(OCC)nn2)CC1)c1ccccc1	ZINC000852394113	FE	On-Demand	Mild	SCD1	35	40
C#C[C@@H](NC(=O)N1CCN(c2ccc(OCC)nn2)CC1)c1ccccc1	ZINC000852394113	FE	On-Demand	Mild	SCD	31	40
C#C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1	ZINC000852394148	CF	On-Demand	Mild	RBP4	30	40
C#C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C2)C1)c1ccccc1	ZINC000852394149	CF	On-Demand	Mild	RBP4	30	40
C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852394223	EE	On-Demand	Mild	CCR5	22	41
C#C[C@@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852394223	EE	On-Demand	Mild	BIRC8	46	34
C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852394224	EE	On-Demand	Mild	CCR5	22	41
C#C[C@@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852394224	EE	On-Demand	Mild	BIRC8	46	34
C#C[C@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852394225	EE	On-Demand	Mild	CCR5	22	41
C#C[C@H](NC(=O)N1CCC[C@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852394225	EE	On-Demand	Mild	BIRC8	46	34
C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852394226	EE	On-Demand	Mild	CCR5	22	41
C#C[C@H](NC(=O)N1CCC[C@@H](C(=O)NC(C)C)C1)c1ccccc1	ZINC000852394226	EE	On-Demand	Mild	BIRC8	46	34
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852394275	FG	On-Demand	Clean	SLC6A3	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852394275	FG	On-Demand	Clean	MTNR1A	25	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852394275	FG	On-Demand	Clean	MTNR1B	24	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852394275	FG	On-Demand	Clean	EPHX2	21	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[C@@H]3c3ccccc3)C2)cc1	ZINC000852394275	FG	On-Demand	Clean	MCHR1	17	40
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCO[C@H]1C)c1ccc(F)cc1	ZINC000852394300	FF	On-Demand	Reactive	CACNA1G	41	48
CCC(CC)(CNC(=O)NNC(=O)[C@H]1CCO[C@@H]1C)c1ccc(F)cc1	ZINC000852394301	FF	On-Demand	Reactive	CACNA1G	41	48
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCO[C@@H]1C)c1ccc(F)cc1	ZINC000852394302	FF	On-Demand	Reactive	CACNA1G	41	48
CCC(CC)(CNC(=O)NNC(=O)[C@@H]1CCO[C@H]1C)c1ccc(F)cc1	ZINC000852394303	FF	On-Demand	Reactive	CACNA1G	41	48
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852394384	EF	On-Demand	Mild	SIGMAR1	20	42
C#C[C@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852394384	EF	On-Demand	Mild	CACNA1I	57	34
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852394385	EF	On-Demand	Mild	SIGMAR1	20	42
C#C[C@@H](NC(=O)NCC1CCN(CC2CC2)CC1)c1ccccc1	ZINC000852394385	EF	On-Demand	Mild	CACNA1I	57	34
Cn1cnc(CCCNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)n1	ZINC000852394390	GF	On-Demand	Anodyne	CCKAR	20	43
COCCN(CCF)C(=O)NCc1ccc(COc2cccc(F)c2)cc1	ZINC000852394574	GH	On-Demand	Anodyne	PDS	46	42
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852394799	FH	On-Demand	Mild	SCD1	15	45
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852394799	FH	On-Demand	Mild	SCD	31	45
C#C[C@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852394799	FH	On-Demand	Mild	TRPM8	25	52
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852394800	FH	On-Demand	Mild	SCD1	15	45
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852394800	FH	On-Demand	Mild	SCD	31	45
C#C[C@@H](NC(=O)N1CCC2(CCc3ccccc3O2)CC1)c1ccccc1	ZINC000852394800	FH	On-Demand	Mild	TRPM8	25	52
O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852395027	EE	On-Demand	Anodyne	SMO	38	40
O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852395028	EE	On-Demand	Anodyne	SMO	38	40
C#C[C@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1	ZINC000852395037	DF	On-Demand	Mild	SMO	37	41
C#C[C@@H](NC(=O)N1CCC(c2ccon2)CC1)c1ccccc1	ZINC000852395038	DF	On-Demand	Mild	SMO	37	41
C#C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852395041	EF	On-Demand	Mild	SIGMAR1	21	40
C#C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852395042	EF	On-Demand	Mild	SIGMAR1	21	40
C#C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852395043	EF	On-Demand	Mild	SIGMAR1	21	40
C#C[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1ccccc1	ZINC000852395044	EF	On-Demand	Mild	SIGMAR1	21	40
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H](C1CCOCC1)C1CC1	ZINC000852395142	GH	On-Demand	Anodyne	MAPK1	53	35
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H](C1CCOCC1)C1CC1	ZINC000852395143	GH	On-Demand	Anodyne	MAPK1	53	35
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H](C1CCOCC1)C1CC1	ZINC000852395144	GH	On-Demand	Anodyne	MAPK1	53	35
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H](C1CCOCC1)C1CC1	ZINC000852395145	GH	On-Demand	Anodyne	MAPK1	53	35
CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852395244	GD	On-Demand	Anodyne	ADRB3	26	41
CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852395244	GD	On-Demand	Anodyne	EPHX2	33	44
CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852395245	GD	On-Demand	Anodyne	ADRB3	26	41
CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852395245	GD	On-Demand	Anodyne	EPHX2	33	44
CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852395246	GD	On-Demand	Anodyne	ADRB3	26	41
CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852395246	GD	On-Demand	Anodyne	EPHX2	33	44
CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852395276	GC	On-Demand	Anodyne	EPHX2	17	40
CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852395277	GC	On-Demand	Anodyne	EPHX2	17	40
CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852395278	GC	On-Demand	Anodyne	EPHX2	17	40
CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)C1	ZINC000852395279	GC	On-Demand	Anodyne	EPHX2	17	40
O=C(NCc1cccc(Oc2ccccc2F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852395847	GG	On-Demand	Anodyne	NPSR1	26	40
O=C(NCc1cccc(Oc2ccccc2F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852395849	GG	On-Demand	Anodyne	NPSR1	26	40
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@@]3(C)C[C@]3(F)Cl)C2)c1	ZINC000852396004	FI	On-Demand	Anodyne	DRD4	44	33
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@@]3(C)C[C@]3(F)Cl)C2)c1	ZINC000852396004	FI	On-Demand	Anodyne	EPHX2	15	41
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@]3(C)C[C@]3(F)Cl)C2)c1	ZINC000852396005	FI	On-Demand	Anodyne	DRD4	44	33
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@]3(C)C[C@]3(F)Cl)C2)c1	ZINC000852396005	FI	On-Demand	Anodyne	EPHX2	15	41
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@]3(C)C[C@@]3(F)Cl)C2)c1	ZINC000852396006	FI	On-Demand	Anodyne	DRD4	44	33
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@]3(C)C[C@@]3(F)Cl)C2)c1	ZINC000852396006	FI	On-Demand	Anodyne	EPHX2	15	41
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@@]3(C)C[C@@]3(F)Cl)C2)c1	ZINC000852396007	FI	On-Demand	Anodyne	DRD4	44	33
COc1cccc([C@]2(C)CCN(C(=O)NCC[C@@]3(C)C[C@@]3(F)Cl)C2)c1	ZINC000852396007	FI	On-Demand	Anodyne	EPHX2	15	41
COCCN(CCF)C(=O)NCc1cccc(Oc2ccccc2F)c1	ZINC000852396173	FH	On-Demand	Anodyne	TSPO	44	37
COCCN(CCF)C(=O)NCc1cccc(Oc2ccccc2F)c1	ZINC000852396173	FH	On-Demand	Anodyne	CRTM	57	36
CS(=O)(=O)N1CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852396256	FB	On-Demand	Anodyne	EPHX2	22	43
CS(=O)(=O)N1CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852396258	FB	On-Demand	Anodyne	EPHX2	22	43
CS(=O)(=O)N1CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852396260	FB	On-Demand	Anodyne	EPHX2	22	43
CS(=O)(=O)N1CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852396262	FB	On-Demand	Anodyne	EPHX2	22	43
CNC(=O)[C@@H](CNC(=O)NCc1ncccn1)Cc1ccc(C(F)(F)F)cc1	ZINC000852396293	GD	On-Demand	Anodyne	PPARA	16	41
CNC(=O)[C@@H](CNC(=O)NCc1ncccn1)Cc1ccc(C(F)(F)F)cc1	ZINC000852396293	GD	On-Demand	Anodyne	PPARD	16	41
CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852396428	GD	On-Demand	Anodyne	CCR8	41	32
CS(=O)(=O)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852396429	GD	On-Demand	Anodyne	CCR8	41	32
CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852396430	GD	On-Demand	Anodyne	CCR8	41	32
CS(=O)(=O)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852396431	GD	On-Demand	Anodyne	CCR8	41	32
CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852396438	CC	On-Demand	Anodyne	EPHX2	16	44
CS(=O)(=O)N1CC[C@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852396439	CC	On-Demand	Anodyne	EPHX2	16	44
CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@H]2C=CCC2)C1	ZINC000852396440	CC	On-Demand	Anodyne	EPHX2	16	44
CS(=O)(=O)N1CC[C@H](NC(=O)N[C@@H]2C=CCC2)C1	ZINC000852396441	CC	On-Demand	Anodyne	EPHX2	16	44
CS(=O)(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852396443	GC	On-Demand	Clean	EPHX2	19	40
CS(=O)(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000852396444	GC	On-Demand	Clean	EPHX2	19	40
COCCN(CCF)C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C	ZINC000852396456	GD	On-Demand	Anodyne	ACKR3	49	30
CCON(C)C(=O)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852396619	EC	On-Demand	Anodyne	PYGL	34	47
CCON(C)C(=O)CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852396619	EC	On-Demand	Anodyne	PYGM	30	47
CCON(C)C(=O)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852396620	EC	On-Demand	Anodyne	PYGL	34	47
CCON(C)C(=O)CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852396620	EC	On-Demand	Anodyne	PYGM	30	47
CCON(C)C(=O)CNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852396661	ED	On-Demand	Anodyne	MTNR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](C(N)=O)C3)C2)cc1	ZINC000852396728	EC	On-Demand	Clean	MTNR1A	18	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H](C(N)=O)C3)C2)cc1	ZINC000852396728	EC	On-Demand	Clean	MTNR1B	18	47
CCON(C)C(=O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852396872	EC	On-Demand	Anodyne	SCN2A	18	43
CCON(C)C(=O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852396872	EC	On-Demand	Anodyne	SCN10A	22	43
CN(Cc1cnc[nH]1)C(=O)NCc1ccccc1CN(C)C(=O)OC(C)(C)C	ZINC000852396936	GG	On-Demand	Anodyne	TAAR1	23	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCC[C@H]3OC)C2)cc1	ZINC000852396949	EF	On-Demand	Clean	PARE	53	31
Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852396978	GE	On-Demand	Anodyne	CALCRL	18	47
Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)N1CCC2=C(CCC(=O)N2)C1	ZINC000852396979	GE	On-Demand	Anodyne	CALCRL	18	47
CCON(C)C(=O)CNC(=O)N1CCC[C@H]1c1ccc(OC)c(F)c1	ZINC000852396992	FE	On-Demand	Anodyne	ACKR3	51	33
CCON(C)C(=O)CNC(=O)N1CCC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852396993	FE	On-Demand	Anodyne	ACKR3	51	33
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397220	GC	On-Demand	Clean	MMP13	37	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397220	GC	On-Demand	Clean	MMP3	37	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397220	GC	On-Demand	Clean	MMP9	27	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397220	GC	On-Demand	Clean	EPHX2	24	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397220	GC	On-Demand	Clean	MMP7	35	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397220	GC	On-Demand	Clean	MMP1	35	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397224	GC	On-Demand	Clean	MMP13	37	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397224	GC	On-Demand	Clean	MMP3	37	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397224	GC	On-Demand	Clean	MMP9	27	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397224	GC	On-Demand	Clean	EPHX2	24	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397224	GC	On-Demand	Clean	MMP7	35	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)C2)cc1	ZINC000852397224	GC	On-Demand	Clean	MMP1	35	44
Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852397262	GE	On-Demand	Anodyne	CALCRL	51	53
Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852397263	GE	On-Demand	Anodyne	CALCRL	51	53
CCON(C)C(=O)CNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852397300	FD	On-Demand	Anodyne	CACNA1I	49	34
CCON(C)C(=O)CNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852397301	FD	On-Demand	Anodyne	CACNA1I	49	34
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2C[C@H](C(N)=O)C2)O1	ZINC000852397302	GB	On-Demand	Reactive	DRD4	16	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2C[C@H](C(N)=O)C2)O1	ZINC000852397302	GB	On-Demand	Reactive	SIGMAR1	20	40
COC(=O)c1nc(CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)ccc1Cl	ZINC000852397359	GC	On-Demand	Anodyne	EPHX2	27	41
COC(=O)c1nc(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccc1Cl	ZINC000852397360	GC	On-Demand	Anodyne	EPHX2	27	41
CCON(C)C(=O)CNC(=O)N1CCc2nc(-c3ccccc3)sc2C1	ZINC000852397579	FE	On-Demand	Anodyne	P2RY14	45	37
CCON(C)C(=O)CNC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852397594	FE	On-Demand	Anodyne	KCNH2	42	40
CCON(C)C(=O)CNC(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1	ZINC000852397676	ED	On-Demand	Anodyne	DRD4	40	31
CCON(C)C(=O)CNC(=O)N1CC[C@](C)(c2cccc(OC)c2)C1	ZINC000852397677	ED	On-Demand	Anodyne	DRD4	40	31
CS(=O)(=O)N1CC[C@@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852397683	EC	On-Demand	Reactive	EPHX2	20	43
CS(=O)(=O)N1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852397688	EC	On-Demand	Reactive	EPHX2	20	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cc1	ZINC000852397749	EF	On-Demand	Clean	EPHX2	22	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H]4C[C@@H]4C3)C2)cc1	ZINC000852397752	EF	On-Demand	Clean	EPHX2	22	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)C2)cc1	ZINC000852397755	EF	On-Demand	Clean	EPHX2	22	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]4C[C@H]4C3)C2)cc1	ZINC000852397758	EF	On-Demand	Clean	EPHX2	22	42
CCON(C)C(=O)CNC(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000852397863	EE	On-Demand	Anodyne	DNAE	82	36
CCON(C)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852397876	FD	On-Demand	Anodyne	ACHE	28	44
CCON(C)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852397876	FD	On-Demand	Anodyne	HTR4	40	40
CCON(C)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852397876	FD	On-Demand	Anodyne	SIGMAR1	24	41
CCON(C)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852397876	FD	On-Demand	Anodyne	SSTR5	52	35
CCON(C)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852397876	FD	On-Demand	Anodyne	CCR3	18	40
CCON(C)C(=O)CNC(=O)NCC1CCN(Cc2ccncc2)CC1	ZINC000852397876	FD	On-Demand	Anodyne	CACNA1I	63	42
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@@H]2CO[C@H](C)C2)O1	ZINC000852397891	GC	On-Demand	Reactive	DRD4	19	40
C[C@H]1C[C@H](NC(=O)NNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H](C)O2)CO1	ZINC000852397892	GC	On-Demand	Reactive	DRD4	19	40
C[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)NNC(=O)N[C@H]2CO[C@H](C)C2)O1	ZINC000852397893	GC	On-Demand	Reactive	DRD4	19	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3cn4c(C)cccc4n3)C2)cc1	ZINC000852397960	GF	On-Demand	Clean	MTNR1A	25	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3cn4c(C)cccc4n3)C2)cc1	ZINC000852397960	GF	On-Demand	Clean	MTNR1B	19	43
Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852398107	GD	On-Demand	Anodyne	CALCRL	37	49
Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852398108	GD	On-Demand	Anodyne	CALCRL	37	49
Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852398109	GD	On-Demand	Anodyne	CALCRL	37	49
Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852398110	GD	On-Demand	Anodyne	CALCRL	37	49
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)O1	ZINC000852398149	GD	On-Demand	Reactive	DRD4	20	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)O1	ZINC000852398149	GD	On-Demand	Reactive	SIGMAR1	21	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)O1	ZINC000852398150	GD	On-Demand	Reactive	DRD4	20	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)O1	ZINC000852398150	GD	On-Demand	Reactive	SIGMAR1	21	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)O1	ZINC000852398151	GD	On-Demand	Reactive	DRD4	20	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)O1	ZINC000852398151	GD	On-Demand	Reactive	SIGMAR1	21	40
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)O1	ZINC000852398152	GD	On-Demand	Reactive	DRD4	20	42
C[C@@H]1CN(Cc2ccccc2)C[C@H](C(=O)NNC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)O1	ZINC000852398152	GD	On-Demand	Reactive	SIGMAR1	21	40
CCON(C)C(=O)CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	ZINC000852398214	FE	On-Demand	Anodyne	MDM2	54	32
CCON(C)C(=O)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852398278	ED	On-Demand	Anodyne	MTNR1A	36	45
CCON(C)C(=O)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852398278	ED	On-Demand	Anodyne	MTNR1B	21	45
CCON(C)C(=O)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852398319	DD	On-Demand	Anodyne	DRD4	40	31
CCON(C)C(=O)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852398319	DD	On-Demand	Anodyne	DRD5	17	42
CCON(C)C(=O)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852398319	DD	On-Demand	Anodyne	MTNR1A	32	43
CCON(C)C(=O)CNC(=O)N1CCc2cc(OC)ccc2C1	ZINC000852398319	DD	On-Demand	Anodyne	MTNR1B	34	43
CN(Cc1cn(C)nn1)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398418	ED	On-Demand	Reactive	MAP3K5	44	34
COCCO[C@H]1CCCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398436	GE	On-Demand	Reactive	LIPG	24	43
COCCO[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398437	GE	On-Demand	Reactive	LIPG	24	43
CO[C@@H](C)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398451	DD	On-Demand	Reactive	MT-ND1	24	43
Cc1ccncc1CCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398487	FF	On-Demand	Reactive	TRPV1	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H](c4ccccc4)O3)C2)cc1	ZINC000852398504	GG	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@H](c4ccccc4)O3)C2)cc1	ZINC000852398505	GG	On-Demand	Clean	MTNR1B	15	43
CO[C@@H](C)CN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398551	DE	On-Demand	Reactive	MT-ND1	24	40
CC(=O)N[C@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398584	ED	On-Demand	Reactive	SLC6A5	36	47
CC(=O)N[C@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398584	ED	On-Demand	Reactive	EPHX2	26	41
CC(=O)N[C@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398584	ED	On-Demand	Reactive	L3MBTL3	59	35
CC(=O)N[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398585	ED	On-Demand	Reactive	SLC6A5	36	47
CC(=O)N[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398585	ED	On-Demand	Reactive	EPHX2	26	41
CC(=O)N[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398585	ED	On-Demand	Reactive	L3MBTL3	59	35
C#CC1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852398594	EF	On-Demand	Reactive	L3MBTL3	66	35
Cc1cncc(CCNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)n1	ZINC000852398651	FE	On-Demand	Reactive	MAP3K5	43	33
COCCO[C@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398697	FE	On-Demand	Reactive	LIPG	37	47
COCCO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852398698	FE	On-Demand	Reactive	LIPG	37	47
COC(=O)N(C)CCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398702	FD	On-Demand	Reactive	MT-ND1	25	43
COCCCCN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398714	EF	On-Demand	Reactive	MT-ND1	24	40
CC(=O)NCCN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398788	ED	On-Demand	Reactive	ECR	47	37
CC(=O)NCCN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398788	ED	On-Demand	Reactive	MT-ND1	23	44
CC(=O)NCCN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852398788	ED	On-Demand	Reactive	E3UJZ5_SPOLI	40	37
Cn1ccnc1[C@@H]1N(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1(C)C	ZINC000852398806	GG	On-Demand	Reactive	MAP3K5	45	33
Cn1ccnc1[C@H]1N(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1(C)C	ZINC000852398807	GG	On-Demand	Reactive	MAP3K5	45	33
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cn1	ZINC000852398818	FF	On-Demand	Reactive	MT-ND1	28	44
COc1cccc([C@H](CO)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852398840	GF	On-Demand	Reactive	MT-ND1	22	41
CCON(C)C(=O)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852398868	EC	On-Demand	Anodyne	DRD2	22	42
CCON(C)C(=O)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852398868	EC	On-Demand	Anodyne	SIGMAR1	24	43
CCON(C)C(=O)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852398869	EC	On-Demand	Anodyne	DRD2	22	42
CCON(C)C(=O)CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852398869	EC	On-Demand	Anodyne	SIGMAR1	24	43
COc1cccc(OC)c1CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399001	GG	On-Demand	Reactive	TRPV1	28	43
COc1cccc(OC)c1CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399001	GG	On-Demand	Reactive	ECR	31	42
COc1cccc(OC)c1CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399001	GG	On-Demand	Reactive	MT-ND1	31	46
CNC(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852399008	ED	On-Demand	Reactive	EPHX2	15	42
CNC(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852399008	ED	On-Demand	Reactive	L3MBTL3	63	37
CN(C[C@@](C)(O)c1ccccc1)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399015	GG	On-Demand	Reactive	ECR	42	36
COCc1csc(CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852399056	GG	On-Demand	Reactive	MT-ND1	28	42
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C[C@@H](C)S1(=O)=O	ZINC000852399076	GD	On-Demand	Reactive	MAP3K5	46	37
C=CCN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399081	CE	On-Demand	Reactive	MT-ND1	19	40
CN(C)C(=O)N[C@H]1CCCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852399145	GE	On-Demand	Reactive	SLC6A5	31	41
CN(C)C(=O)N[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852399146	GE	On-Demand	Reactive	SLC6A5	31	41
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CCS1(=O)=O	ZINC000852399148	FD	On-Demand	Reactive	MAP3K5	45	34
C#C[C@H]1CCCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852399223	EF	On-Demand	Reactive	L3MBTL3	51	37
C#C[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852399224	EF	On-Demand	Reactive	L3MBTL3	51	37
CN(CCNC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399289	GF	On-Demand	Reactive	MT-ND1	24	45
CN(C[C@@H]1CCCN1C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399369	EE	On-Demand	Reactive	CHRNA10	53	33
CN(C[C@@H]1CCCN1C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399369	EE	On-Demand	Reactive	ACKR3	63	32
CN(C[C@H]1CCCN1C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399370	EE	On-Demand	Reactive	CHRNA10	53	33
CN(C[C@H]1CCCN1C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399370	EE	On-Demand	Reactive	ACKR3	63	32
CCON(C)C(=O)CNC(=O)N1CC[C@H](N(C)c2ccccc2)C1	ZINC000852399402	ED	On-Demand	Anodyne	OPRD1	19	40
CCON(C)C(=O)CNC(=O)N1CC[C@@H](N(C)c2ccccc2)C1	ZINC000852399403	ED	On-Demand	Anodyne	OPRD1	19	40
CCON(C)C(=O)CNC(=O)NCC1CCN(CC2CC2)CC1	ZINC000852399487	EC	On-Demand	Anodyne	CACNA1I	53	36
CCON(C)C(=O)CNC(=O)NNc1ccc(Cl)cn1	ZINC000852399545	DC	On-Demand	Reactive	F10	36	40
CCON(C)C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852399769	GD	On-Demand	Anodyne	AMY2	46	32
CCON(C)C(=O)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852399769	GD	On-Demand	Anodyne	SSTR3	31	44
Cc1noc(C2CCN(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2)n1	ZINC000852399871	GF	On-Demand	Reactive	MAP3K5	45	36
Cc1noc(C2CCN(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2)n1	ZINC000852399871	GF	On-Demand	Reactive	SMO	43	43
Cc1noc(C2CCN(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2)n1	ZINC000852399871	GF	On-Demand	Reactive	ETHR	66	39
CN(C)C(=O)C1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852399893	FE	On-Demand	Reactive	MT-ND1	16	40
CN(C)C(=O)C1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852399893	FE	On-Demand	Reactive	L3MBTL3	60	38
CN(Cc1ccc2c(c1)OCCO2)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399903	GG	On-Demand	Reactive	TRPV1	15	49
CN(Cc1ccc2c(c1)OCCO2)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852399903	GG	On-Demand	Reactive	MT-ND1	22	43
CCON(C)C(=O)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852399975	FD	On-Demand	Anodyne	SCD1	18	43
CCON(C)C(=O)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852399975	FD	On-Demand	Anodyne	SCD	21	40
CCON(C)C(=O)CNC(=O)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852399975	FD	On-Demand	Anodyne	TRPM8	26	51
COCC(=O)NC1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400017	GD	On-Demand	Reactive	SLC6A5	37	43
COCC(=O)NC1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400017	GD	On-Demand	Reactive	EPHX2	34	43
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1	ZINC000852400020	GG	On-Demand	Reactive	TRPV1	21	40
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1	ZINC000852400020	GG	On-Demand	Reactive	MT-ND1	35	54
Cn1cc([C@@H]2CN(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CCO2)cn1	ZINC000852400036	GE	On-Demand	Reactive	MAP3K5	42	33
CC[C@@H](C(=O)NNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1	ZINC000852400042	GG	On-Demand	Reactive	KCNQ2	40	39
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000852400072	GG	On-Demand	Reactive	PPARA	15	42
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000852400072	GG	On-Demand	Reactive	TRPV1	25	45
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000852400072	GG	On-Demand	Reactive	MT-ND1	41	69
CCO[C@@H]1C[C@@H](NC(=O)NCCC[C@H]2CC2(Cl)Cl)C1	ZINC000852400077	DF	On-Demand	Anodyne	EPHX2	27	40
CCO[C@@H]1C[C@@H](NC(=O)NCCC[C@@H]2CC2(Cl)Cl)C1	ZINC000852400078	DF	On-Demand	Anodyne	EPHX2	27	40
O=C(NCCC[C@H]1CC1(Cl)Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852400089	GJ	On-Demand	Anodyne	KCNH2	40	40
O=C(NCCC[C@@H]1CC1(Cl)Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852400090	GJ	On-Demand	Anodyne	KCNH2	40	40
O=C(NCCc1ccc2c(c1)OC(F)(F)O2)NCc1ncccn1	ZINC000852400119	ED	On-Demand	Anodyne	KIT	24	40
O=C(NCCc1ccc2c(c1)OC(F)(F)O2)NCc1ncccn1	ZINC000852400119	ED	On-Demand	Anodyne	BRAF	21	40
Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400133	FF	On-Demand	Reactive	ECR	42	35
Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400134	FF	On-Demand	Reactive	ECR	42	35
CC[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1	ZINC000852400153	GH	On-Demand	Reactive	TACR3	42	36
CC[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1	ZINC000852400153	GH	On-Demand	Reactive	PTPN1	30	41
CC[C@@H](NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1	ZINC000852400153	GH	On-Demand	Reactive	MMP7	15	43
COCCCN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400199	DE	On-Demand	Reactive	MT-ND1	24	41
Cn1cc([C@@H](O)CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cn1	ZINC000852400275	FD	On-Demand	Reactive	MAP3K5	40	33
COc1ccc(O)c([C@@H](C)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400280	GG	On-Demand	Reactive	THRA	42	37
COc1ccc(O)c([C@@H](C)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400280	GG	On-Demand	Reactive	THRB	47	37
COc1ccc(O)c([C@@H](C)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400280	GG	On-Demand	Reactive	MT-ND1	23	42
COc1ccc(O)c([C@H](C)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400293	GG	On-Demand	Reactive	THRA	42	37
COc1ccc(O)c([C@H](C)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400293	GG	On-Demand	Reactive	THRB	47	37
COc1ccc(O)c([C@H](C)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400293	GG	On-Demand	Reactive	MT-ND1	23	42
Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400334	FF	On-Demand	Reactive	CTSA	50	35
Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400335	FF	On-Demand	Reactive	CTSA	50	35
CN1CCC(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400376	FF	On-Demand	Reactive	SLC6A5	30	42
CN1CCC(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400376	FF	On-Demand	Reactive	CACNA1I	51	41
CN(Cc1nc2ccccc2s1)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400395	GI	On-Demand	Reactive	MAP3K5	40	39
CCCN(C)C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852400397	FG	On-Demand	Reactive	CACNA1I	49	36
CCCN(C)C[C@H]1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852400398	FG	On-Demand	Reactive	CACNA1I	49	36
CN(CC(C)(C)S(C)(=O)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400462	GE	On-Demand	Reactive	CYNT	42	38
CC(=O)NCC1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400467	FE	On-Demand	Reactive	GRIN2B	32	45
CC(=O)NCC1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400467	FE	On-Demand	Reactive	EPHX2	20	42
CC(=O)NCC1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400467	FE	On-Demand	Reactive	CACNA1I	73	49
CCOC(=O)N[C@H]1CCCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000852400562	GF	On-Demand	Reactive	SLC6A5	35	43
O=C(NCCC[C@H]1CC1(Cl)Cl)NCc1cccnc1N1CCCC1	ZINC000852400605	FG	On-Demand	Anodyne	SCN2A	18	45
O=C(NCCC[C@H]1CC1(Cl)Cl)NCc1cccnc1N1CCCC1	ZINC000852400605	FG	On-Demand	Anodyne	SCN10A	20	45
O=C(NCCC[C@@H]1CC1(Cl)Cl)NCc1cccnc1N1CCCC1	ZINC000852400606	FG	On-Demand	Anodyne	SCN2A	18	45
O=C(NCCC[C@@H]1CC1(Cl)Cl)NCc1cccnc1N1CCCC1	ZINC000852400606	FG	On-Demand	Anodyne	SCN10A	20	45
CCCN(CC(F)F)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400644	EG	On-Demand	Reactive	ECR	50	38
CCCN(CC(F)F)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400644	EG	On-Demand	Reactive	E3UJZ5_SPOLI	43	38
O=C(NCCC[C@H]1CC1(Cl)Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852400652	GH	On-Demand	Anodyne	ACHE	35	48
O=C(NCCC[C@H]1CC1(Cl)Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852400652	GH	On-Demand	Anodyne	SIGMAR1	21	43
O=C(NCCC[C@H]1CC1(Cl)Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852400652	GH	On-Demand	Anodyne	CACNA1I	59	39
O=C(NCCC[C@@H]1CC1(Cl)Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852400653	GH	On-Demand	Anodyne	ACHE	35	48
O=C(NCCC[C@@H]1CC1(Cl)Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852400653	GH	On-Demand	Anodyne	SIGMAR1	21	43
O=C(NCCC[C@@H]1CC1(Cl)Cl)NCC1CCN(Cc2ccncc2)CC1	ZINC000852400653	GH	On-Demand	Anodyne	CACNA1I	59	39
COC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400654	GF	On-Demand	Reactive	TRPV1	35	43
COC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400654	GF	On-Demand	Reactive	ROCK2	25	42
COC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400654	GF	On-Demand	Reactive	MT-ND1	30	48
COC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400654	GF	On-Demand	Reactive	CYNT	18	40
CN(Cc1cccc(C#N)c1)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400657	FG	On-Demand	Reactive	MT-ND1	18	40
CN(Cc1cccc(C#N)c1)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400657	FG	On-Demand	Reactive	HSD17B2	17	41
CN(Cc1cccc(C#N)c1)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400657	FG	On-Demand	Reactive	CTRB_BOVIN	49	38
C[C@@H]1CN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1	ZINC000852400675	EE	On-Demand	Reactive	MAP3K5	44	33
CC(C)(C)CC(=O)NNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400691	EE	On-Demand	Reactive	TRPV1	15	40
CNC(=O)CC1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400751	FE	On-Demand	Reactive	GRIN2B	15	43
CNC(=O)CC1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400751	FE	On-Demand	Reactive	CACNA1I	44	41
O=C(NCCC[C@H]1CC1(Cl)Cl)NCC1CCN(CC2CC2)CC1	ZINC000852400782	FG	On-Demand	Anodyne	CACNA1I	48	36
O=C(NCCC[C@@H]1CC1(Cl)Cl)NCC1CCN(CC2CC2)CC1	ZINC000852400783	FG	On-Demand	Anodyne	CACNA1I	48	36
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000852400800	FG	On-Demand	Reactive	MT-ND1	35	54
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000852400800	FG	On-Demand	Reactive	MMP1	18	40
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1F	ZINC000852400822	GH	On-Demand	Reactive	PPARA	15	40
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1F	ZINC000852400822	GH	On-Demand	Reactive	TRPV1	28	41
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1F	ZINC000852400822	GH	On-Demand	Reactive	MT-ND1	34	56
Cn1cc([C@H](CO)NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cn1	ZINC000852400828	FD	On-Demand	Reactive	MAP3K5	44	34
C=C(C)CN(C)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400899	DF	On-Demand	Reactive	MT-ND1	18	40
COc1cccc([C@H](O)CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400900	GF	On-Demand	Reactive	DRD4	41	31
COc1cccc([C@H](O)CNC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000852400900	GF	On-Demand	Reactive	MT-ND1	29	47
CC(C)(C)C(=O)N1CCN(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000852400914	GF	On-Demand	Reactive	MAP3K5	46	35
CN(Cc1ccsc1)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	ZINC000852400918	EH	On-Demand	Reactive	MT-ND1	19	41
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	DRD4	28	44
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	ACHE	18	41
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	HRH2	30	46
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	CHRM3	17	42
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	SIGMAR1	24	46
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	SSTR5	56	38
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	CCR3	44	48
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	MLNR	16	45
COC(=O)N(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852400926	FD	On-Demand	Mild	MCHR1	63	55
COCCN(CCF)C(=O)NCc1cc(=O)n2ccccc2n1	ZINC000852400957	DC	On-Demand	Anodyne	POLR1A	41	37
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	DRD4	26	49
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	ACHE	19	41
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	HRH2	24	41
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	CHRM3	23	46
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	SIGMAR1	28	47
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	SSTR5	45	36
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	CCR3	48	53
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	MLNR	16	43
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	EPHX2	15	42
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	CXCR3	20	43
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3C=CCC3)CC2)c1	ZINC000852400958	DF	On-Demand	Mild	MCHR1	61	54
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	DRD4	26	49
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	ACHE	19	41
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	HRH2	24	41
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	CHRM3	23	46
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	SIGMAR1	28	47
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	SSTR5	45	36
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	CCR3	48	53
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	MLNR	16	43
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	EPHX2	15	42
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	CXCR3	20	43
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3C=CCC3)CC2)c1	ZINC000852400959	DF	On-Demand	Mild	MCHR1	61	54
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400976	GD	On-Demand	Mild	DRD4	25	44
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400976	GD	On-Demand	Mild	CHRM3	16	47
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400976	GD	On-Demand	Mild	SIGMAR1	19	43
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400976	GD	On-Demand	Mild	CCR3	44	44
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400976	GD	On-Demand	Mild	MLNR	23	41
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400976	GD	On-Demand	Mild	MCHR1	44	50
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400977	GD	On-Demand	Mild	DRD4	25	44
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400977	GD	On-Demand	Mild	CHRM3	16	47
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400977	GD	On-Demand	Mild	SIGMAR1	19	43
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400977	GD	On-Demand	Mild	CCR3	44	44
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400977	GD	On-Demand	Mild	MLNR	23	41
N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1	ZINC000852400977	GD	On-Demand	Mild	MCHR1	44	50
N#Cc1cccc(CN2CCC(NC(=O)NCCC3SCCS3)CC2)c1	ZINC000852400982	GG	On-Demand	Mild	DRD4	24	44
N#Cc1cccc(CN2CCC(NC(=O)NCCC3SCCS3)CC2)c1	ZINC000852400982	GG	On-Demand	Mild	ACHE	23	40
N#Cc1cccc(CN2CCC(NC(=O)NCCC3SCCS3)CC2)c1	ZINC000852400982	GG	On-Demand	Mild	HRH2	28	46
N#Cc1cccc(CN2CCC(NC(=O)NCCC3SCCS3)CC2)c1	ZINC000852400982	GG	On-Demand	Mild	CHRM3	15	42
N#Cc1cccc(CN2CCC(NC(=O)NCCC3SCCS3)CC2)c1	ZINC000852400982	GG	On-Demand	Mild	SIGMAR1	23	45
N#Cc1cccc(CN2CCC(NC(=O)NCCC3SCCS3)CC2)c1	ZINC000852400982	GG	On-Demand	Mild	SSTR5	43	36
N#Cc1cccc(CN2CCC(NC(=O)NCCC3SCCS3)CC2)c1	ZINC000852400982	GG	On-Demand	Mild	CCR3	44	48
N#Cc1cccc(CN2CCC(NC(=O)NCCC3SCCS3)CC2)c1	ZINC000852400982	GG	On-Demand	Mild	MCHR1	48	55
O=C(NNC(=O)N1CCC(c2ccco2)CC1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401000	GG	On-Demand	Reactive	ADAM10	24	41
COC(=O)N(C)CCNC(=O)NCc1cc(=O)n2ccccc2n1	ZINC000852401024	EC	On-Demand	Anodyne	POLR1A	43	36
COCCN(CCF)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852401027	FE	On-Demand	Mild	DRD4	29	44
COCCN(CCF)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852401027	FE	On-Demand	Mild	KCNH2	16	42
COCCN(CCF)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852401027	FE	On-Demand	Mild	CHRM3	18	42
COCCN(CCF)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852401027	FE	On-Demand	Mild	SIGMAR1	25	45
COCCN(CCF)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852401027	FE	On-Demand	Mild	SSTR5	51	37
COCCN(CCF)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852401027	FE	On-Demand	Mild	CCR3	37	44
COCCN(CCF)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852401027	FE	On-Demand	Mild	MLNR	24	43
COCCN(CCF)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1	ZINC000852401027	FE	On-Demand	Mild	MCHR1	69	48
N#Cc1cccc(CN2CCC(NC(=O)NCC3SCCS3)CC2)c1	ZINC000852401029	GF	On-Demand	Mild	DRD4	23	45
N#Cc1cccc(CN2CCC(NC(=O)NCC3SCCS3)CC2)c1	ZINC000852401029	GF	On-Demand	Mild	HRH2	21	43
N#Cc1cccc(CN2CCC(NC(=O)NCC3SCCS3)CC2)c1	ZINC000852401029	GF	On-Demand	Mild	CHRM3	18	43
N#Cc1cccc(CN2CCC(NC(=O)NCC3SCCS3)CC2)c1	ZINC000852401029	GF	On-Demand	Mild	SIGMAR1	23	46
N#Cc1cccc(CN2CCC(NC(=O)NCC3SCCS3)CC2)c1	ZINC000852401029	GF	On-Demand	Mild	CCR3	42	49
N#Cc1cccc(CN2CCC(NC(=O)NCC3SCCS3)CC2)c1	ZINC000852401029	GF	On-Demand	Mild	MCHR1	52	57
O=C(NNC(=O)N1CC[C@H]2COC[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401030	FD	On-Demand	Reactive	ADAM10	31	42
O=C(NNC(=O)N1CC[C@H]2COC[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401031	FD	On-Demand	Reactive	ADAM10	31	42
O=C(NNC(=O)N1CC[C@@H]2COC[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401032	FD	On-Demand	Reactive	ADAM10	31	42
O=C(NNC(=O)N1CC[C@@H]2COC[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401033	FD	On-Demand	Reactive	ADAM10	31	42
C=CCCCCCNC(=O)NCC1SCCS1	ZINC000852401139	CF	On-Demand	Mild	EPHX2	19	40
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401140	FF	On-Demand	Mild	DRD4	20	44
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401140	FF	On-Demand	Mild	HRH2	21	40
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401140	FF	On-Demand	Mild	CHRM3	20	43
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401140	FF	On-Demand	Mild	SIGMAR1	26	44
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401140	FF	On-Demand	Mild	CCR3	40	48
N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401140	FF	On-Demand	Mild	MCHR1	60	53
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401141	FF	On-Demand	Mild	DRD4	20	44
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401141	FF	On-Demand	Mild	HRH2	21	40
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401141	FF	On-Demand	Mild	CHRM3	20	43
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401141	FF	On-Demand	Mild	SIGMAR1	26	44
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401141	FF	On-Demand	Mild	CCR3	40	48
N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3COC4(CCC4)C3)CC2)c1	ZINC000852401141	FF	On-Demand	Mild	MCHR1	60	53
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H](N(C)C)C3)C2)cc1	ZINC000852401190	ED	On-Demand	Clean	MCHR1	15	51
N#Cc1cccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	FD	On-Demand	Mild	DRD4	29	50
N#Cc1cccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	FD	On-Demand	Mild	HRH2	30	46
N#Cc1cccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	FD	On-Demand	Mild	CHRM3	23	45
N#Cc1cccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	FD	On-Demand	Mild	SIGMAR1	26	47
N#Cc1cccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	FD	On-Demand	Mild	SSTR5	72	38
N#Cc1cccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	FD	On-Demand	Mild	CCR3	46	49
N#Cc1cccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	FD	On-Demand	Mild	MLNR	18	42
N#Cc1cccc(CN2CCC(NC(=O)NCc3ncccn3)CC2)c1	ZINC000852401218	FD	On-Demand	Mild	MCHR1	67	62
N#Cc1cccc(CN2CCC(NC(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)c1	ZINC000852401221	GE	On-Demand	Mild	DRD4	18	41
N#Cc1cccc(CN2CCC(NC(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)c1	ZINC000852401221	GE	On-Demand	Mild	CHRM3	15	44
N#Cc1cccc(CN2CCC(NC(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)c1	ZINC000852401221	GE	On-Demand	Mild	SIGMAR1	18	43
N#Cc1cccc(CN2CCC(NC(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)c1	ZINC000852401221	GE	On-Demand	Mild	CCR3	36	45
N#Cc1cccc(CN2CCC(NC(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)c1	ZINC000852401221	GE	On-Demand	Mild	MLNR	15	40
N#Cc1cccc(CN2CCC(NC(=O)N3CCC4=C(CCC(=O)N4)C3)CC2)c1	ZINC000852401221	GE	On-Demand	Mild	MCHR1	33	45
C[C@@H](NC(=O)NC[C@@H](O)c1cccc2ccccc12)C(C)(C)C	ZINC000852401438	DH	On-Demand	Anodyne	SOAT1	28	41
C[C@@H](NC(=O)NC[C@H](O)c1cccc2ccccc12)C(C)(C)C	ZINC000852401439	DH	On-Demand	Anodyne	SOAT1	28	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3ncc(C)cc3C)C2)cc1	ZINC000852401450	FF	On-Demand	Clean	MTNR1A	28	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ncc(C)cc3C)C2)cc1	ZINC000852401450	FF	On-Demand	Clean	MTNR1B	20	43
N#Cc1cccc(CN2CCC(NC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852401477	GD	On-Demand	Reactive	DRD4	23	44
N#Cc1cccc(CN2CCC(NC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852401477	GD	On-Demand	Reactive	CHRM3	17	40
N#Cc1cccc(CN2CCC(NC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852401477	GD	On-Demand	Reactive	SIGMAR1	23	45
N#Cc1cccc(CN2CCC(NC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852401477	GD	On-Demand	Reactive	SSTR5	50	37
N#Cc1cccc(CN2CCC(NC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852401477	GD	On-Demand	Reactive	CCR3	51	46
N#Cc1cccc(CN2CCC(NC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852401477	GD	On-Demand	Reactive	MLNR	20	40
N#Cc1cccc(CN2CCC(NC(=O)NNC(=O)c3cccc(F)n3)CC2)c1	ZINC000852401477	GD	On-Demand	Reactive	MCHR1	61	49
COc1ccc(N2CC[C@H](NC(=O)NC3CC4(CCC4)C3)C2)cc1	ZINC000852401509	EF	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)NC3CC4(CCC4)C3)C2)cc1	ZINC000852401509	EF	On-Demand	Clean	MTNR1B	16	46
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	DRD4	31	46
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	HRH2	22	40
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	CHRM3	15	41
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	SIGMAR1	27	46
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	SSTR5	49	40
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	CCR3	38	45
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	MLNR	15	41
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	SLC6A5	24	40
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	CXCR3	41	38
N#Cc1cccc(CN2CCC(NC(=O)NNc3ccc(Cl)cn3)CC2)c1	ZINC000852401522	GF	On-Demand	Reactive	MCHR1	80	52
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(C)(C)C)C2)cc1	ZINC000852401619	DG	On-Demand	Clean	BIRC2	18	42
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401630	EE	On-Demand	Reactive	EPHX2	22	41
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401630	EE	On-Demand	Reactive	RBP4	57	32
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401630	EE	On-Demand	Reactive	ADAM10	32	43
O=C(NNC(=O)N1CC[C@H]2C[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401630	EE	On-Demand	Reactive	L3MBTL3	46	34
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401631	EE	On-Demand	Reactive	EPHX2	22	41
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401631	EE	On-Demand	Reactive	RBP4	57	32
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401631	EE	On-Demand	Reactive	ADAM10	32	43
O=C(NNC(=O)N1CC[C@H]2C[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401631	EE	On-Demand	Reactive	L3MBTL3	46	34
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401632	EE	On-Demand	Reactive	EPHX2	22	41
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401632	EE	On-Demand	Reactive	RBP4	57	32
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401632	EE	On-Demand	Reactive	ADAM10	32	43
O=C(NNC(=O)N1CC[C@@H]2C[C@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401632	EE	On-Demand	Reactive	L3MBTL3	46	34
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401633	EE	On-Demand	Reactive	EPHX2	22	41
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401633	EE	On-Demand	Reactive	RBP4	57	32
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401633	EE	On-Demand	Reactive	ADAM10	32	43
O=C(NNC(=O)N1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000852401633	EE	On-Demand	Reactive	L3MBTL3	46	34
C#C[C@@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C1CCOCC1	ZINC000852401761	GE	On-Demand	Mild	DRD4	16	41
C#C[C@@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C1CCOCC1	ZINC000852401761	GE	On-Demand	Mild	SIGMAR1	18	43
C#C[C@@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C1CCOCC1	ZINC000852401761	GE	On-Demand	Mild	CCR3	30	45
C#C[C@@H](NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)C1CCOCC1	ZINC000852401761	GE	On-Demand	Mild	MCHR1	35	48
C[C@H](Cc1ccccn1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852401834	ED	On-Demand	Anodyne	CALCRL	64	42
C[C@@H](Cc1ccccn1)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852401835	ED	On-Demand	Anodyne	CALCRL	64	42
C[C@H](CN1c2ccccc2C[C@H]1CO)NC(=O)OC(C)(C)C	ZINC000852401840	DE	On-Demand	Anodyne	TPP2	40	34
C[C@H](CN1c2ccccc2C[C@H]1CO)NC(=O)OC(C)(C)C	ZINC000852401840	DE	On-Demand	Anodyne	FPR1	45	34
C[C@H](CN1c2ccccc2C[C@@H]1CO)NC(=O)OC(C)(C)C	ZINC000852401841	DE	On-Demand	Anodyne	TPP2	40	34
C[C@H](CN1c2ccccc2C[C@@H]1CO)NC(=O)OC(C)(C)C	ZINC000852401841	DE	On-Demand	Anodyne	FPR1	45	34
O=C(c1cccc(CN2c3ccccc3C[C@H]2CO)c1)C(F)(F)F	ZINC000852401851	EG	On-Demand	Anodyne	DRD4	20	43
O=C(c1cccc(CN2c3ccccc3C[C@@H]2CO)c1)C(F)(F)F	ZINC000852401852	EG	On-Demand	Anodyne	DRD4	20	43
OC[C@H]1Cc2ccccc2N1Cc1cn(Cc2ccccc2)nn1	ZINC000852401861	DE	On-Demand	Anodyne	DRD4	15	42
OC[C@H]1Cc2ccccc2N1Cc1cn(Cc2ccccc2)nn1	ZINC000852401861	DE	On-Demand	Anodyne	FIMH	15	44
OC[C@@H]1Cc2ccccc2N1Cc1cn(Cc2ccccc2)nn1	ZINC000852401862	DE	On-Demand	Anodyne	DRD4	15	42
OC[C@@H]1Cc2ccccc2N1Cc1cn(Cc2ccccc2)nn1	ZINC000852401862	DE	On-Demand	Anodyne	FIMH	15	44
C[C@@H](Cc1ccccn1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852401878	FE	On-Demand	Clean	STAT6	18	40
C[C@H](Cc1ccccn1)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852401879	FE	On-Demand	Clean	STAT6	18	40
Cn1c(=O)c(CN2c3ccccc3C[C@H]2CO)cc2ccccc21	ZINC000852401901	DE	On-Demand	Anodyne	NPSR1	32	42
Cn1c(=O)c(CN2c3ccccc3C[C@@H]2CO)cc2ccccc21	ZINC000852401902	DE	On-Demand	Anodyne	NPSR1	32	42
CC(C)(C)OC(=O)NCCCN1c2ccccc2C[C@H]1CO	ZINC000852401915	DE	On-Demand	Anodyne	DRD2	22	53
CC(C)(C)OC(=O)NCCCN1c2ccccc2C[C@@H]1CO	ZINC000852401916	DE	On-Demand	Anodyne	DRD2	22	53
C[C@@H](Cc1ccccn1)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852401936	GH	On-Demand	Anodyne	FPR1	49	35
C[C@H](Cc1ccccn1)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852401937	GH	On-Demand	Anodyne	FPR1	49	35
O=C(CCN1c2ccccc2C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852401977	FE	On-Demand	Bother	WDR5	36	41
O=C(CCN1c2ccccc2C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852401978	FE	On-Demand	Bother	WDR5	36	41
Cc1ccccc1CC(=O)NNC(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852402028	FD	On-Demand	Reactive	DRD4	15	42
Cc1ccccc1CC(=O)NNC(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852402029	FD	On-Demand	Reactive	DRD4	15	42
OC[C@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1	ZINC000852402034	CF	On-Demand	Anodyne	DRD4	19	47
OC[C@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1	ZINC000852402034	CF	On-Demand	Anodyne	CHRNA4	15	40
OC[C@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1	ZINC000852402034	CF	On-Demand	Anodyne	Q8WSF8_APLCA	41	40
OC[C@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1	ZINC000852402034	CF	On-Demand	Anodyne	NACHRBETA2	44	40
OC[C@@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1	ZINC000852402035	CF	On-Demand	Anodyne	DRD4	19	47
OC[C@@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1	ZINC000852402035	CF	On-Demand	Anodyne	CHRNA4	15	40
OC[C@@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1	ZINC000852402035	CF	On-Demand	Anodyne	Q8WSF8_APLCA	41	40
OC[C@@H]1Cc2ccccc2N1Cc1ccc(Cl)nc1	ZINC000852402035	CF	On-Demand	Anodyne	NACHRBETA2	44	40
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@H]3CO)CC2)cc1	ZINC000852402096	GD	On-Demand	Clean	HTR1A	37	44
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@H]3CO)CC2)cc1	ZINC000852402096	GD	On-Demand	Clean	DRD2	23	45
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@H]3CO)CC2)cc1	ZINC000852402096	GD	On-Demand	Clean	DRD4	43	33
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@H]3CO)CC2)cc1	ZINC000852402096	GD	On-Demand	Clean	HTR1D	15	44
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@H]3CO)CC2)cc1	ZINC000852402096	GD	On-Demand	Clean	HTR1B	17	44
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@H]3CO)CC2)cc1	ZINC000852402096	GD	On-Demand	Clean	SSTR1	77	37
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@@H]3CO)CC2)cc1	ZINC000852402097	GD	On-Demand	Clean	HTR1A	37	44
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@@H]3CO)CC2)cc1	ZINC000852402097	GD	On-Demand	Clean	DRD2	23	45
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@@H]3CO)CC2)cc1	ZINC000852402097	GD	On-Demand	Clean	DRD4	43	33
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@@H]3CO)CC2)cc1	ZINC000852402097	GD	On-Demand	Clean	HTR1D	15	44
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@@H]3CO)CC2)cc1	ZINC000852402097	GD	On-Demand	Clean	HTR1B	17	44
COc1ccc(N2CCN(C(=O)CN3c4ccccc4C[C@@H]3CO)CC2)cc1	ZINC000852402097	GD	On-Demand	Clean	SSTR1	77	37
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852402102	GE	On-Demand	Anodyne	TACR2	45	32
O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852402102	GE	On-Demand	Anodyne	TACR3	40	32
O=C(NC[C@H]1CN(C2CC2)C(=O)O1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852402103	GE	On-Demand	Anodyne	TACR2	45	32
O=C(NC[C@H]1CN(C2CC2)C(=O)O1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852402103	GE	On-Demand	Anodyne	TACR3	40	32
O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852402104	GE	On-Demand	Anodyne	TACR2	45	32
O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852402104	GE	On-Demand	Anodyne	TACR3	40	32
O=C(NC[C@H]1CN(C2CC2)C(=O)O1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852402105	GE	On-Demand	Anodyne	TACR2	45	32
O=C(NC[C@H]1CN(C2CC2)C(=O)O1)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852402105	GE	On-Demand	Anodyne	TACR3	40	32
OC[C@H]1Cc2ccccc2N1Cc1cc(Cl)nc(Cl)c1	ZINC000852402270	DG	On-Demand	Anodyne	DRD4	24	46
OC[C@@H]1Cc2ccccc2N1Cc1cc(Cl)nc(Cl)c1	ZINC000852402274	DG	On-Demand	Anodyne	DRD4	24	46
O=C1O[C@@H](CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CN1C1CC1	ZINC000852402344	GF	On-Demand	Anodyne	KCNH2	40	37
O=C1O[C@H](CNC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CN1C1CC1	ZINC000852402345	GF	On-Demand	Anodyne	KCNH2	40	37
COC(=O)Cn1cc(CN2c3ccccc3C[C@@H]2CO)nn1	ZINC000852402369	DC	On-Demand	Anodyne	DRD4	18	41
COC(=O)Cn1cc(CN2c3ccccc3C[C@@H]2CO)nn1	ZINC000852402369	DC	On-Demand	Anodyne	TPP2	46	32
COC(=O)Cn1cc(CN2c3ccccc3C[C@H]2CO)nn1	ZINC000852402370	DC	On-Demand	Anodyne	DRD4	18	41
COC(=O)Cn1cc(CN2c3ccccc3C[C@H]2CO)nn1	ZINC000852402370	DC	On-Demand	Anodyne	TPP2	46	32
OC[C@@H]1Cc2ccccc2N1Cc1ccc(CF)cc1	ZINC000852402373	CG	On-Demand	Anodyne	DRD4	20	48
OC[C@H]1Cc2ccccc2N1Cc1ccc(CF)cc1	ZINC000852402374	CG	On-Demand	Anodyne	DRD4	20	48
O=[N+]([O-])c1cccc(CN2c3ccccc3C[C@@H]2CO)c1Br	ZINC000852402381	FG	On-Demand	Bother	COLA	72	32
O=[N+]([O-])c1cccc(CN2c3ccccc3C[C@H]2CO)c1Br	ZINC000852402382	FG	On-Demand	Bother	COLA	72	32
O=[N+]([O-])c1cc(CN2c3ccccc3C[C@@H]2CO)ccc1Cl	ZINC000852402385	DG	On-Demand	Bother	DRD4	23	47
O=[N+]([O-])c1cc(CN2c3ccccc3C[C@H]2CO)ccc1Cl	ZINC000852402386	DG	On-Demand	Bother	DRD4	23	47
CC(=O)Oc1ccc(CN2c3ccccc3C[C@H]2CO)cc1	ZINC000852402393	CF	On-Demand	Anodyne	DRD4	26	48
CC(=O)Oc1ccc(CN2c3ccccc3C[C@@H]2CO)cc1	ZINC000852402394	CF	On-Demand	Anodyne	DRD4	26	48
C[C@H](O)CN1c2ccccc2C[C@@H]1CO	ZINC000852402395	BC	On-Demand	Anodyne	TPP2	56	34
C[C@H](O)CN1c2ccccc2C[C@H]1CO	ZINC000852402398	BC	On-Demand	Anodyne	TPP2	56	34
O=[N+]([O-])c1ccc(CN2c3ccccc3C[C@@H]2CO)cc1F	ZINC000852402409	DF	On-Demand	Bother	DRD4	15	42
O=[N+]([O-])c1ccc(CN2c3ccccc3C[C@H]2CO)cc1F	ZINC000852402410	DF	On-Demand	Bother	DRD4	15	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(C)c3OC)C2)cc1	ZINC000852402411	FG	On-Demand	Clean	MTNR1A	30	50
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(C)c3OC)C2)cc1	ZINC000852402411	FG	On-Demand	Clean	MTNR1B	20	50
O=C(NCc1ncccn1)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852402414	GD	On-Demand	Anodyne	TGM1	15	45
O=C(NCc1ncccn1)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852402414	GD	On-Demand	Anodyne	EPHX2	57	55
O=C(NCc1ncccn1)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852402414	GD	On-Demand	Anodyne	TGM2	69	49
O=C(NCc1ncccn1)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852402414	GD	On-Demand	Anodyne	Q59401_ENTCL	42	31
O=C(NCc1ncccn1)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852402414	GD	On-Demand	Anodyne	F13A1	53	45
O=C(NCc1ncccn1)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852402414	GD	On-Demand	Anodyne	SFRP1	51	40
O=C(NCc1ncccn1)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852402414	GD	On-Demand	Anodyne	NAMPT	77	44
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852402421	GD	On-Demand	Anodyne	EPHX2	36	53
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852402421	GD	On-Demand	Anodyne	TGM2	61	46
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1COC2(CCC2)C1	ZINC000852402421	GD	On-Demand	Anodyne	F13A1	48	46
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852402422	GD	On-Demand	Anodyne	EPHX2	36	53
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852402422	GD	On-Demand	Anodyne	TGM2	61	46
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1COC2(CCC2)C1	ZINC000852402422	GD	On-Demand	Anodyne	F13A1	48	46
C[C@H](Cc1ccccn1)NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852402464	GF	On-Demand	Anodyne	REN	60	36
C[C@@H](Cc1ccccn1)NC(=O)N1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852402465	GF	On-Demand	Anodyne	REN	60	36
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCN2CCCC[C@H]12	ZINC000852402468	GE	On-Demand	Clean	L3MBTL3	42	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000852402469	GE	On-Demand	Clean	L3MBTL3	42	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000852402470	GE	On-Demand	Clean	L3MBTL3	42	37
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000852402471	GE	On-Demand	Clean	L3MBTL3	42	37
O=C(CN1c2ccccc2C[C@H]1CO)N1CCC2(CC1)OCCO2	ZINC000852402536	EC	On-Demand	Anodyne	DRD4	21	44
O=C(CN1c2ccccc2C[C@@H]1CO)N1CCC2(CC1)OCCO2	ZINC000852402537	EC	On-Demand	Anodyne	DRD4	21	44
OC[C@@H]1Cc2ccccc2N1CCOc1cccc(F)c1	ZINC000852402550	CF	On-Demand	Anodyne	CHRNA10	34	43
OC[C@H]1Cc2ccccc2N1CCOc1cccc(F)c1	ZINC000852402551	CF	On-Demand	Anodyne	CHRNA10	34	43
OC[C@@H]1Cc2ccccc2N1C[C@@H](O)c1ccc(Br)cc1	ZINC000852402562	EF	On-Demand	Anodyne	SLC18A3	15	46
OC[C@H]1Cc2ccccc2N1C[C@@H](O)c1ccc(Br)cc1	ZINC000852402563	EF	On-Demand	Anodyne	SLC18A3	15	46
OC[C@@H]1Cc2ccccc2N1C[C@H](O)c1ccc(Br)cc1	ZINC000852402564	EF	On-Demand	Anodyne	SLC18A3	15	46
OC[C@H]1Cc2ccccc2N1C[C@H](O)c1ccc(Br)cc1	ZINC000852402565	EF	On-Demand	Anodyne	SLC18A3	15	46
C[C@@H](CBr)CN1c2ccccc2C[C@@H]1CO	ZINC000852402604	CE	On-Demand	Reactive	TPP2	40	32
C[C@@H](CBr)CN1c2ccccc2C[C@H]1CO	ZINC000852402605	CE	On-Demand	Reactive	TPP2	40	32
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852402612	ED	On-Demand	Anodyne	TGM1	15	47
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852402612	ED	On-Demand	Anodyne	EPHX2	52	56
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852402612	ED	On-Demand	Anodyne	TGM2	70	49
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852402612	ED	On-Demand	Anodyne	F13A1	55	47
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852402612	ED	On-Demand	Anodyne	SFRP1	47	44
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1C=CCC1	ZINC000852402612	ED	On-Demand	Anodyne	NAMPT	20	41
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852402613	ED	On-Demand	Anodyne	TGM1	15	47
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852402613	ED	On-Demand	Anodyne	EPHX2	52	56
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852402613	ED	On-Demand	Anodyne	TGM2	70	49
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852402613	ED	On-Demand	Anodyne	F13A1	55	47
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852402613	ED	On-Demand	Anodyne	SFRP1	47	44
O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1C=CCC1	ZINC000852402613	ED	On-Demand	Anodyne	NAMPT	20	41
C[C@@H](Cc1ccccn1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852402621	DD	On-Demand	Anodyne	CALCRL	44	39
C[C@@H](Cc1ccccn1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852402622	DD	On-Demand	Anodyne	CALCRL	44	39
C[C@H](Cc1ccccn1)NC(=O)N1CC[C@H](N2CCOC2=O)C1	ZINC000852402623	DD	On-Demand	Anodyne	CALCRL	44	39
C[C@H](Cc1ccccn1)NC(=O)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852402624	DD	On-Demand	Anodyne	CALCRL	44	39
CC(C)(C)OC(=O)N1CC[C@@H](CN2c3ccccc3C[C@@H]2CO)C1	ZINC000852402642	EF	On-Demand	Anodyne	GPR119	45	41
CC(C)(C)OC(=O)N1CC[C@@H](CN2c3ccccc3C[C@@H]2CO)C1	ZINC000852402642	EF	On-Demand	Anodyne	SFRP1	46	42
CC(C)(C)OC(=O)N1CC[C@H](CN2c3ccccc3C[C@@H]2CO)C1	ZINC000852402643	EF	On-Demand	Anodyne	GPR119	45	41
CC(C)(C)OC(=O)N1CC[C@H](CN2c3ccccc3C[C@@H]2CO)C1	ZINC000852402643	EF	On-Demand	Anodyne	SFRP1	46	42
CC(C)(C)OC(=O)N1CC[C@H](CN2c3ccccc3C[C@H]2CO)C1	ZINC000852402644	EF	On-Demand	Anodyne	GPR119	45	41
CC(C)(C)OC(=O)N1CC[C@H](CN2c3ccccc3C[C@H]2CO)C1	ZINC000852402644	EF	On-Demand	Anodyne	SFRP1	46	42
CC(C)(C)OC(=O)N1CC[C@@H](CN2c3ccccc3C[C@H]2CO)C1	ZINC000852402645	EF	On-Demand	Anodyne	GPR119	45	41
CC(C)(C)OC(=O)N1CC[C@@H](CN2c3ccccc3C[C@H]2CO)C1	ZINC000852402645	EF	On-Demand	Anodyne	SFRP1	46	42
CON(C)C(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852402646	CC	On-Demand	Anodyne	DRD4	19	42
CON(C)C(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852402646	CC	On-Demand	Anodyne	TPP2	54	32
CON(C)C(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852402647	CC	On-Demand	Anodyne	DRD4	19	42
CON(C)C(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852402647	CC	On-Demand	Anodyne	TPP2	54	32
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccc(N2CCOCC2)cc1	ZINC000852402752	FD	On-Demand	Anodyne	MTOR	44	39
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccc(N2CCOCC2)cc1	ZINC000852402752	FD	On-Demand	Anodyne	STAT6	43	35
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccc(N2CCOCC2)cc1	ZINC000852402753	FD	On-Demand	Anodyne	MTOR	44	39
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccc(N2CCOCC2)cc1	ZINC000852402753	FD	On-Demand	Anodyne	STAT6	43	35
OC[C@H]1Cc2ccccc2N1Cc1nc(Cl)ccc1Cl	ZINC000852402776	DG	On-Demand	Anodyne	DRD4	15	44
OC[C@@H]1Cc2ccccc2N1Cc1nc(Cl)ccc1Cl	ZINC000852402777	DG	On-Demand	Anodyne	DRD4	15	44
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@H]2CO)CC1	ZINC000852402918	FD	On-Demand	Anodyne	TPP2	55	34
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@H]2CO)CC1	ZINC000852402918	FD	On-Demand	Anodyne	CCR8	63	46
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@@H]2CO)CC1	ZINC000852402919	FD	On-Demand	Anodyne	TPP2	55	34
CCOC(=O)N1CCC(NC(=O)CN2c3ccccc3C[C@@H]2CO)CC1	ZINC000852402919	FD	On-Demand	Anodyne	CCR8	63	46
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1cccnc1Cl	ZINC000852402948	DE	On-Demand	Anodyne	TPP2	51	34
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1cccnc1Cl	ZINC000852402948	DE	On-Demand	Anodyne	G2YM83_BOTF4	73	40
O=C(CN1c2ccccc2C[C@H]1CO)Nc1cccnc1Cl	ZINC000852402949	DE	On-Demand	Anodyne	TPP2	51	34
O=C(CN1c2ccccc2C[C@H]1CO)Nc1cccnc1Cl	ZINC000852402949	DE	On-Demand	Anodyne	G2YM83_BOTF4	73	40
C[C@H](Cc1ccccn1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852403014	FG	On-Demand	Anodyne	ADRB2	37	41
C[C@H](Cc1ccccn1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852403017	FG	On-Demand	Anodyne	ADRB2	37	41
C[C@@H](Cc1ccccn1)NC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852403018	FG	On-Demand	Anodyne	ADRB2	37	41
COc1ccc2c(CN3c4ccccc4C[C@H]3CO)cc(=O)oc2c1	ZINC000852403019	EF	On-Demand	Anodyne	CYP19A1	15	48
COc1ccc2c(CN3c4ccccc4C[C@H]3CO)cc(=O)oc2c1	ZINC000852403019	EF	On-Demand	Anodyne	CYP11B1	17	43
COc1ccc2c(CN3c4ccccc4C[C@H]3CO)cc(=O)oc2c1	ZINC000852403019	EF	On-Demand	Anodyne	MAOB	35	40
C[C@@H](Cc1ccccn1)NC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852403021	FG	On-Demand	Anodyne	ADRB2	37	41
COc1ccc2c(CN3c4ccccc4C[C@@H]3CO)cc(=O)oc2c1	ZINC000852403022	EF	On-Demand	Anodyne	CYP19A1	15	48
COc1ccc2c(CN3c4ccccc4C[C@@H]3CO)cc(=O)oc2c1	ZINC000852403022	EF	On-Demand	Anodyne	CYP11B1	17	43
COc1ccc2c(CN3c4ccccc4C[C@@H]3CO)cc(=O)oc2c1	ZINC000852403022	EF	On-Demand	Anodyne	MAOB	35	40
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1	ZINC000852403107	FF	On-Demand	Anodyne	EPHX2	37	40
O=C(NCCCC1CCC1)NCc1noc2ccccc12	ZINC000852403120	CG	On-Demand	Anodyne	BMP1	56	38
CN1C(=O)CCc2cc(CN3c4ccccc4C[C@H]3CO)ccc21	ZINC000852403124	DF	On-Demand	Anodyne	DRD4	17	40
CN1C(=O)CCc2cc(CN3c4ccccc4C[C@@H]3CO)ccc21	ZINC000852403129	DF	On-Demand	Anodyne	DRD4	17	40
O=C(NCc1cccnc1N1CCCC1)NCc1noc2ccccc12	ZINC000852403144	FF	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NCc1noc2ccccc12	ZINC000852403144	FF	On-Demand	Anodyne	SCN10A	19	43
COCCN(CCF)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852403162	GD	On-Demand	Anodyne	EPHX2	22	47
COCCN(CCF)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852403162	GD	On-Demand	Anodyne	TGM2	57	44
COCCN(CCF)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852403162	GD	On-Demand	Anodyne	F13A1	39	41
COCCN(CCF)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852403162	GD	On-Demand	Anodyne	SFRP1	59	39
C#CCN1CCN(C(=O)CN2c3ccccc3C[C@H]2CO)CC1	ZINC000852403172	DC	On-Demand	Mild	DRD4	26	48
C#CCN1CCN(C(=O)CN2c3ccccc3C[C@@H]2CO)CC1	ZINC000852403177	DC	On-Demand	Mild	DRD4	26	48
CC(C)(C)OC(=O)N1CCC(CN2c3ccccc3C[C@H]2CO)CC1	ZINC000852403199	EG	On-Demand	Anodyne	GPR119	52	45
CC(C)(C)OC(=O)N1CCC(CN2c3ccccc3C[C@H]2CO)CC1	ZINC000852403199	EG	On-Demand	Anodyne	SFRP1	30	43
CC(C)(C)OC(=O)N1CCC(CN2c3ccccc3C[C@@H]2CO)CC1	ZINC000852403208	EG	On-Demand	Anodyne	GPR119	52	45
CC(C)(C)OC(=O)N1CCC(CN2c3ccccc3C[C@@H]2CO)CC1	ZINC000852403208	EG	On-Demand	Anodyne	SFRP1	30	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C2)cc1	ZINC000852403271	FF	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN4CCCC[C@H]34)C2)cc1	ZINC000852403273	FF	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN4CCCC[C@H]34)C2)cc1	ZINC000852403275	FF	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN4CCCC[C@@H]34)C2)cc1	ZINC000852403277	FF	On-Demand	Clean	MTNR1B	15	44
CCOC(=O)N1CCC(NC(=O)CN2CCc3ccc(C)cc3C2)CC1	ZINC000852403278	FE	On-Demand	Anodyne	CHRM1	15	44
CCOC(=O)N1CCC(NC(=O)CN2CCc3ccc(C)cc3C2)CC1	ZINC000852403278	FE	On-Demand	Anodyne	EPHX2	18	41
CCOC(=O)N1CCC(NC(=O)CN2CCc3ccc(C)cc3C2)CC1	ZINC000852403278	FE	On-Demand	Anodyne	CCR8	42	44
O=C(CN1c2ccccc2C[C@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852403294	GD	On-Demand	Bother	SSTR1	70	52
O=C(CN1c2ccccc2C[C@@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852403296	GD	On-Demand	Bother	SSTR1	70	52
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)c1ccccc1	ZINC000852403332	GE	On-Demand	Reactive	TACR3	40	35
C[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)[C@@H]1C	ZINC000852403359	FD	On-Demand	Reactive	TRPC6	45	32
C[C@H]1[C@H](C)CCCN1C(=O)NNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C	ZINC000852403360	FD	On-Demand	Reactive	TRPC6	45	32
COCCS(=O)(=O)CCCN1CCc2ccc(C)cc2C1	ZINC000852403364	DD	On-Demand	Anodyne	ABCB1B	51	36
O=S(=O)(c1ccc(CN2c3ccccc3C[C@H]2CO)cc1)C(F)F	ZINC000852403538	FF	On-Demand	Anodyne	DRD4	17	45
O=S(=O)(c1ccc(CN2c3ccccc3C[C@@H]2CO)cc1)C(F)F	ZINC000852403542	FF	On-Demand	Anodyne	DRD4	17	45
COC(=O)Cc1ccccc1CNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852403599	GF	On-Demand	Anodyne	NQO2	23	47
COC(=O)Cc1ccccc1CNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852403599	GF	On-Demand	Anodyne	MTNR1A	35	47
COC(=O)Cc1ccccc1CNC(=O)NCCc1cn(C)c2ccccc12	ZINC000852403599	GF	On-Demand	Anodyne	MTNR1B	23	47
CC(C)(C)OC(=O)NCCN1c2ccccc2C[C@@H]1CO	ZINC000852403604	CD	On-Demand	Anodyne	DRD2	15	50
CC(C)(C)OC(=O)NCCN1c2ccccc2C[C@H]1CO	ZINC000852403606	CD	On-Demand	Anodyne	DRD2	15	50
COC(=O)Cc1ccccc1CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852403649	GE	On-Demand	Anodyne	DRD2	29	44
COC(=O)Cc1ccccc1CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852403649	GE	On-Demand	Anodyne	SLC6A3	15	40
COC(=O)Cc1ccccc1CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852403649	GE	On-Demand	Anodyne	SIGMAR1	33	45
COC(=O)Cc1ccccc1CNC(=O)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852403649	GE	On-Demand	Anodyne	EPHX2	18	42
COC(=O)Cc1ccccc1CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852403652	GE	On-Demand	Anodyne	DRD2	29	44
COC(=O)Cc1ccccc1CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852403652	GE	On-Demand	Anodyne	SLC6A3	15	40
COC(=O)Cc1ccccc1CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852403652	GE	On-Demand	Anodyne	SIGMAR1	33	45
COC(=O)Cc1ccccc1CNC(=O)NC[C@H]1CCN1Cc1ccccc1	ZINC000852403652	GE	On-Demand	Anodyne	EPHX2	18	42
O=C(NCc1cnccc1C(F)(F)F)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852403708	FD	On-Demand	Anodyne	P2RX7	43	35
O=C(NCc1cnccc1C(F)(F)F)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000852403711	FD	On-Demand	Anodyne	P2RX7	43	35
CC(C)(C)C(=O)NNC(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852403713	DC	On-Demand	Reactive	DRD4	15	40
CC(C)(C)C(=O)NNC(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852403716	DC	On-Demand	Reactive	DRD4	15	40
O=C(CN1c2ccccc2C[C@@H]1CO)NNC(=O)C1CC1	ZINC000852403719	CB	On-Demand	Reactive	DRD4	22	43
O=C(CN1c2ccccc2C[C@H]1CO)NNC(=O)C1CC1	ZINC000852403722	CB	On-Demand	Reactive	DRD4	22	43
C=C[C@H](CO)NC(=O)NCc1ccccc1CC(=O)OC	ZINC000852403754	CC	On-Demand	Mild	ANPEP	16	41
COC(=O)Cc1ccccc1CNC(=O)NCc1cnccc1C(F)(F)F	ZINC000852403756	GF	On-Demand	Anodyne	TRPV1	15	53
CC(=O)Oc1ccc(CN2CCc3ccc(C)cc3C2)cc1	ZINC000852403801	CG	On-Demand	Anodyne	DRD4	19	43
CC(=O)Oc1ccc(CN2CCc3ccc(C)cc3C2)cc1	ZINC000852403801	CG	On-Demand	Anodyne	ABCB1	22	48
CC(=O)Oc1ccc(CN2CCc3ccc(C)cc3C2)cc1	ZINC000852403801	CG	On-Demand	Anodyne	NOD1	19	47
CC(=O)Oc1ccc(CN2CCc3ccc(C)cc3C2)cc1	ZINC000852403801	CG	On-Demand	Anodyne	NOD2	53	47
CC(C)(C)OC(=O)N1CC[C@@H](CCN2c3ccccc3C[C@@H]2CO)C1	ZINC000852403875	EG	On-Demand	Anodyne	GPR119	44	44
CC(C)(C)OC(=O)N1CC[C@H](CCN2c3ccccc3C[C@@H]2CO)C1	ZINC000852403877	EG	On-Demand	Anodyne	GPR119	44	44
CC(C)(C)OC(=O)N1CC[C@@H](CCN2c3ccccc3C[C@H]2CO)C1	ZINC000852403880	EG	On-Demand	Anodyne	GPR119	44	44
CC(C)(C)OC(=O)N1CC[C@H](CCN2c3ccccc3C[C@H]2CO)C1	ZINC000852403883	EG	On-Demand	Anodyne	GPR119	44	44
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccc(N2CCCCCC2)cc1	ZINC000852403918	GG	On-Demand	Anodyne	AVPR2	25	41
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccc(N2CCCCCC2)cc1	ZINC000852403918	GG	On-Demand	Anodyne	KCNQ2	69	41
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccc(N2CCCCCC2)cc1	ZINC000852403920	GG	On-Demand	Anodyne	AVPR2	25	41
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccc(N2CCCCCC2)cc1	ZINC000852403920	GG	On-Demand	Anodyne	KCNQ2	69	41
O=C(N[C@@H](Cc1ccccc1)c1ncco1)N1CCC(N2CCOC2=O)CC1	ZINC000852403947	GF	On-Demand	Anodyne	CALCRL	50	42
O=C(N[C@H](Cc1ccccc1)c1ncco1)N1CCC(N2CCOC2=O)CC1	ZINC000852403950	GF	On-Demand	Anodyne	CALCRL	50	42
O=[N+]([O-])c1ccc(CN2c3ccccc3C[C@H]2CO)c([N+](=O)[O-])c1	ZINC000852404000	EE	On-Demand	Bother	PNMT	18	40
O=[N+]([O-])c1ccc(CN2c3ccccc3C[C@@H]2CO)c([N+](=O)[O-])c1	ZINC000852404001	EE	On-Demand	Bother	PNMT	18	40
O=C(NCc1noc2ccccc12)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852404113	GH	On-Demand	Anodyne	SCD1	15	43
O=C(NCc1noc2ccccc12)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852404113	GH	On-Demand	Anodyne	SCD	28	41
O=C(NCc1noc2ccccc12)NCC1CCN(C2CCOCC2)CC1	ZINC000852404164	FF	On-Demand	Anodyne	HTR4	44	40
COC(=O)N(C)CCNC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852404186	GC	On-Demand	Anodyne	EPHX2	41	49
COC(=O)N(C)CCNC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852404186	GC	On-Demand	Anodyne	TGM2	61	51
COC(=O)N(C)CCNC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852404186	GC	On-Demand	Anodyne	F13A1	44	44
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)NCc1ccccc1Cl	ZINC000852404240	GE	On-Demand	Reactive	P2RX7	46	40
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCCN2CCCC[C@H]12	ZINC000852404308	GG	On-Demand	Anodyne	OPRK1	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCN2CCCC[C@@H]12	ZINC000852404309	GG	On-Demand	Anodyne	OPRK1	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCCN2CCCC[C@@H]12	ZINC000852404310	GG	On-Demand	Anodyne	OPRK1	15	41
O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCN2CCCC[C@H]12	ZINC000852404311	GG	On-Demand	Anodyne	OPRK1	15	41
OC[C@H]1Cc2ccccc2N1Cc1ccnc(Cl)c1	ZINC000852404318	CF	On-Demand	Anodyne	DRD4	18	43
OC[C@@H]1Cc2ccccc2N1Cc1ccnc(Cl)c1	ZINC000852404319	CF	On-Demand	Anodyne	DRD4	18	43
O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852404334	ED	On-Demand	Anodyne	L3MBTL3	57	36
O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852404335	ED	On-Demand	Anodyne	L3MBTL3	57	36
O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CC[C@H](N2CCOC2=O)C1	ZINC000852404336	ED	On-Demand	Anodyne	L3MBTL3	57	36
O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CC[C@H](N2CCOC2=O)C1	ZINC000852404337	ED	On-Demand	Anodyne	L3MBTL3	57	36
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccccc2CC(=O)OC)C1	ZINC000852404389	DD	On-Demand	Anodyne	TIMP3	62	35
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852404412	GE	On-Demand	Clean	MTNR1A	21	47
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852404412	GE	On-Demand	Clean	MTNR1B	16	47
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852404412	GE	On-Demand	Clean	EPHX2	23	40
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852404414	GE	On-Demand	Clean	MTNR1A	21	47
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852404414	GE	On-Demand	Clean	MTNR1B	16	47
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852404414	GE	On-Demand	Clean	EPHX2	23	40
CCOC(=O)N1CCN(C(=O)CN2c3ccccc3C[C@H]2CO)CC1	ZINC000852404416	EC	On-Demand	Anodyne	DRD4	23	44
CCOC(=O)N1CCN(C(=O)CN2c3ccccc3C[C@H]2CO)CC1	ZINC000852404416	EC	On-Demand	Anodyne	P2RY12	40	39
CCOC(=O)N1CCN(C(=O)CN2c3ccccc3C[C@H]2CO)CC1	ZINC000852404416	EC	On-Demand	Anodyne	TPP2	59	37
CCOC(=O)N1CCN(C(=O)CN2c3ccccc3C[C@@H]2CO)CC1	ZINC000852404418	EC	On-Demand	Anodyne	DRD4	23	44
CCOC(=O)N1CCN(C(=O)CN2c3ccccc3C[C@@H]2CO)CC1	ZINC000852404418	EC	On-Demand	Anodyne	P2RY12	40	39
CCOC(=O)N1CCN(C(=O)CN2c3ccccc3C[C@@H]2CO)CC1	ZINC000852404418	EC	On-Demand	Anodyne	TPP2	59	37
O=C(NCc1noc2ccccc12)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1	ZINC000852404427	GG	On-Demand	Anodyne	SSTR3	35	49
O=C(NCc1noc2ccccc12)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852404473	FF	On-Demand	Anodyne	ACHE	16	48
O=C(NCc1noc2ccccc12)NC[C@@H]1CCN1Cc1ccccc1	ZINC000852404473	FF	On-Demand	Anodyne	SIGMAR1	24	41
O=C(NCc1noc2ccccc12)NC[C@H]1CCN1Cc1ccccc1	ZINC000852404476	FF	On-Demand	Anodyne	ACHE	16	48
O=C(NCc1noc2ccccc12)NC[C@H]1CCN1Cc1ccccc1	ZINC000852404476	FF	On-Demand	Anodyne	SIGMAR1	24	41
COC(=O)Cc1ccccc1CNC(=O)NCc1ccc(C(=O)OC)cc1F	ZINC000852404479	GE	On-Demand	Anodyne	BDKRB1	29	44
O=C(CN1c2ccccc2C[C@H]1CO)NC1CCCCCCC1	ZINC000852404505	DF	On-Demand	Anodyne	EPHX2	20	42
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1CC(=O)OC	ZINC000852404506	DG	On-Demand	Anodyne	ANPEP	24	46
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1CC(=O)OC	ZINC000852404506	DG	On-Demand	Anodyne	PAPA1_CARPA	42	36
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1CC(=O)OC	ZINC000852404506	DG	On-Demand	Anodyne	ACE2	43	33
O=C(CN1c2ccccc2C[C@@H]1CO)NC1CCCCCCC1	ZINC000852404507	DF	On-Demand	Anodyne	EPHX2	20	42
COC(=O)/C(C)=C/CN1CCc2ccc(C)cc2C1	ZINC000852404627	CE	On-Demand	Anodyne	AKR1C3	24	43
COC(=O)/C(C)=C/CN1CCc2ccc(C)cc2C1	ZINC000852404627	CE	On-Demand	Anodyne	NOD2	41	36
COC(=O)/C(C)=C\CN1CCc2ccc(C)cc2C1	ZINC000852404628	CE	On-Demand	Anodyne	AKR1C3	24	43
COC(=O)/C(C)=C\CN1CCc2ccc(C)cc2C1	ZINC000852404628	CE	On-Demand	Anodyne	NOD2	41	36
N#Cc1ccc(OCCCN2c3ccccc3C[C@H]2CO)cc1	ZINC000852404634	DF	On-Demand	Mild	MEN1	44	43
N#Cc1ccc(OCCCN2c3ccccc3C[C@@H]2CO)cc1	ZINC000852404638	DF	On-Demand	Mild	MEN1	44	43
CC(=O)CCN1CCc2ccc(C)cc2C1	ZINC000852404741	BE	On-Demand	Anodyne	ABCB1B	46	36
CC(=O)CCN1CCc2ccc(C)cc2C1	ZINC000852404741	BE	On-Demand	Anodyne	AKR1C3	15	43
CC(=O)Nc1ccc2c(CN3CCc4ccc(C)cc4C3)cc(=O)oc2c1	ZINC000852404742	FH	On-Demand	Anodyne	NOD2	41	35
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](c2ccccc2)C1	ZINC000852404758	GE	On-Demand	Reactive	ADAM10	19	41
Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N1CC[C@H](c2ccccc2)C1	ZINC000852404760	GE	On-Demand	Reactive	ADAM10	19	41
COC(=O)Cc1ccccc1CNC(=O)N[C@@H](C)Cc1ccc(F)cc1C	ZINC000852404787	FG	On-Demand	Anodyne	ANPEP	17	42
COC(=O)Cc1ccccc1CNC(=O)N[C@H](C)Cc1ccc(F)cc1C	ZINC000852404788	FG	On-Demand	Anodyne	ANPEP	17	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000852404789	FD	On-Demand	Anodyne	SCN10A	15	40
O=C(NCc1cccnc1N1CCCC1)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852404791	FD	On-Demand	Anodyne	SCN10A	15	40
COc1ccc(N2CC[C@H](NC(=O)NCc3noc4ccccc34)C2)cc1	ZINC000852404825	FF	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NCc3noc4ccccc34)C2)cc1	ZINC000852404825	FF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NCc3noc4ccccc34)C2)cc1	ZINC000852404825	FF	On-Demand	Clean	PDK1	41	36
COc1ccc(N2CC[C@H](NC(=O)NCc3noc4ccccc34)C2)cc1	ZINC000852404825	FF	On-Demand	Clean	MCHR1	15	44
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccc(N2CCCCC2)cc1	ZINC000852404826	FG	On-Demand	Anodyne	AVPR2	25	41
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccc(N2CCCCC2)cc1	ZINC000852404826	FG	On-Demand	Anodyne	KCNQ2	69	41
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccc(N2CCCCC2)cc1	ZINC000852404828	FG	On-Demand	Anodyne	AVPR2	25	41
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccc(N2CCCCC2)cc1	ZINC000852404828	FG	On-Demand	Anodyne	KCNQ2	69	41
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852404836	GD	On-Demand	Anodyne	CCKAR	18	40
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852404836	GD	On-Demand	Anodyne	PYGL	34	47
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1Cc2ccccc2N(C)C1=O	ZINC000852404836	GD	On-Demand	Anodyne	PYGM	30	47
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852404838	GD	On-Demand	Anodyne	CCKAR	18	40
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852404838	GD	On-Demand	Anodyne	PYGL	34	47
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O	ZINC000852404838	GD	On-Demand	Anodyne	PYGM	30	47
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852404854	FE	On-Demand	Clean	DRD4	16	42
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852404856	FE	On-Demand	Clean	DRD4	16	42
COC(=O)Cc1ccccc1CNC(=O)N[C@@H](C(C)C)C1CC1	ZINC000852404880	DF	On-Demand	Anodyne	ANPEP	23	44
COC(=O)Cc1ccccc1CNC(=O)N[C@H](C(C)C)C1CC1	ZINC000852404881	DF	On-Demand	Anodyne	ANPEP	23	44
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCc3ccc(C)cc3C2)CC1	ZINC000852404949	FE	On-Demand	Anodyne	P2RY12	47	37
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCc3ccc(C)cc3C2)CC1	ZINC000852404950	FE	On-Demand	Anodyne	P2RY12	47	37
Cc1cccc(C(=O)NNC(=O)CN2CCc3ccc(C)cc3C2)c1	ZINC000852404979	EE	On-Demand	Reactive	DRD4	42	37
Cc1cccc(C(=O)NNC(=O)CN2CCc3ccc(C)cc3C2)c1	ZINC000852404979	EE	On-Demand	Reactive	HDAC6	34	42
Cc1cccc(C(=O)NNC(=O)CN2CCc3ccc(C)cc3C2)c1	ZINC000852404979	EE	On-Demand	Reactive	AKR1C3	30	45
Cc1cccc(C(=O)NNC(=O)CN2CCc3ccc(C)cc3C2)c1	ZINC000852404979	EE	On-Demand	Reactive	NOD2	41	35
Cc1cccc(C(=O)NNC(=O)CN2CCc3ccc(C)cc3C2)c1	ZINC000852404979	EE	On-Demand	Reactive	KCNK3	55	39
Cc1cccc(C(=O)NNC(=O)CN2CCc3ccc(C)cc3C2)c1	ZINC000852404979	EE	On-Demand	Reactive	KCNK9	45	39
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852405016	FF	On-Demand	Anodyne	P2RX7	28	45
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852405016	FF	On-Demand	Anodyne	DNAE	42	31
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000852405017	FF	On-Demand	Anodyne	P2RX7	28	45
O=C(NCc1ccc(Cl)c(Cl)c1)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000852405017	FF	On-Demand	Anodyne	DNAE	42	31
COc1ccc(OC)c([C@H](O)CN2CCc3ccc(C)cc3C2)c1	ZINC000852405064	EG	On-Demand	Anodyne	ABCB1	27	42
C#CCNC(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852405097	BC	On-Demand	Mild	DRD4	20	41
C#CCNC(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852405097	BC	On-Demand	Mild	TPP2	44	36
C#CCNC(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852405100	BC	On-Demand	Mild	DRD4	20	41
C#CCNC(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852405100	BC	On-Demand	Mild	TPP2	44	36
CON(C)C(=O)CCN1CCc2ccc(C)cc2C1	ZINC000852405111	CD	On-Demand	Anodyne	ABCB1B	59	36
O=C(NCc1cc(F)ccc1OC(F)F)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852405140	FE	On-Demand	Anodyne	P2RX7	22	40
O=C(NCc1cc(F)ccc1OC(F)F)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000852405144	FE	On-Demand	Anodyne	P2RX7	22	40
COC(=O)Cc1ccccc1CNC(=O)N[C@H](C)COc1c(F)cccc1F	ZINC000852405233	GF	On-Demand	Anodyne	ANPEP	18	41
COC(=O)Cc1ccccc1CNC(=O)N[C@@H](C)COc1c(F)cccc1F	ZINC000852405234	GF	On-Demand	Anodyne	ANPEP	18	41
O=C(NCc1noc2ccccc12)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852405235	GI	On-Demand	Anodyne	EPHX2	18	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC4(CCCC4)O3)C2)cc1	ZINC000852405247	FG	On-Demand	Clean	MTNR1A	15	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC4(CCCC4)O3)C2)cc1	ZINC000852405248	FG	On-Demand	Clean	MTNR1A	15	42
O=C(NC[C@H]1CN(C2CC2)C(=O)O1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852405282	GF	On-Demand	Anodyne	SCD1	18	41
O=C(NC[C@H]1CN(C2CC2)C(=O)O1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852405282	GF	On-Demand	Anodyne	SCD	30	41
O=C(NC[C@H]1CN(C2CC2)C(=O)O1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852405282	GF	On-Demand	Anodyne	TRPM8	19	47
O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852405283	GF	On-Demand	Anodyne	SCD1	18	41
O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852405283	GF	On-Demand	Anodyne	SCD	30	41
O=C(NC[C@@H]1CN(C2CC2)C(=O)O1)N1CCC2(CCc3ccccc3O2)CC1	ZINC000852405283	GF	On-Demand	Anodyne	TRPM8	19	47
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852405337	GF	On-Demand	Anodyne	CNR2	18	42
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852405338	GF	On-Demand	Anodyne	CNR2	18	42
O=C(CN1c2ccccc2C[C@H]1CO)OCc1ccccc1	ZINC000852405346	CE	On-Demand	Anodyne	ACE	25	41
O=C(CN1c2ccccc2C[C@H]1CO)OCc1ccccc1	ZINC000852405346	CE	On-Demand	Anodyne	DRD4	19	44
O=C(CN1c2ccccc2C[C@H]1CO)OCc1ccccc1	ZINC000852405346	CE	On-Demand	Anodyne	PREP	18	41
O=C(CN1c2ccccc2C[C@H]1CO)OCc1ccccc1	ZINC000852405346	CE	On-Demand	Anodyne	TPP2	54	32
O=C(CN1c2ccccc2C[C@H]1CO)OCc1ccccc1	ZINC000852405346	CE	On-Demand	Anodyne	SLC12A5	40	41
O=C(CN1c2ccccc2C[C@@H]1CO)OCc1ccccc1	ZINC000852405348	CE	On-Demand	Anodyne	ACE	25	41
O=C(CN1c2ccccc2C[C@@H]1CO)OCc1ccccc1	ZINC000852405348	CE	On-Demand	Anodyne	DRD4	19	44
O=C(CN1c2ccccc2C[C@@H]1CO)OCc1ccccc1	ZINC000852405348	CE	On-Demand	Anodyne	PREP	18	41
O=C(CN1c2ccccc2C[C@@H]1CO)OCc1ccccc1	ZINC000852405348	CE	On-Demand	Anodyne	TPP2	54	32
O=C(CN1c2ccccc2C[C@@H]1CO)OCc1ccccc1	ZINC000852405348	CE	On-Demand	Anodyne	SLC12A5	40	41
CCOC(=O)c1cnn2c(O)cc(CN3c4ccccc4C[C@H]3CO)nc12	ZINC000852405438	FD	On-Demand	Clean	TPP2	42	30
CCOC(=O)c1cnn2c(O)cc(CN3c4ccccc4C[C@@H]3CO)nc12	ZINC000852405439	FD	On-Demand	Clean	TPP2	42	30
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccc(N2CCCC2)cc1	ZINC000852405460	FF	On-Demand	Anodyne	AVPR2	27	41
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccc(N2CCCC2)cc1	ZINC000852405460	FF	On-Demand	Anodyne	KCNQ2	73	42
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1	ZINC000852405461	FF	On-Demand	Anodyne	AVPR2	27	41
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1	ZINC000852405461	FF	On-Demand	Anodyne	KCNQ2	73	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852405470	GD	On-Demand	Anodyne	ACHE	19	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852405470	GD	On-Demand	Anodyne	SIGMAR1	16	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@@H]1CN(C2CC2)C(=O)O1	ZINC000852405470	GD	On-Demand	Anodyne	CACNA1I	51	38
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000852405471	GD	On-Demand	Anodyne	ACHE	19	42
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000852405471	GD	On-Demand	Anodyne	SIGMAR1	16	41
O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CN(C2CC2)C(=O)O1	ZINC000852405471	GD	On-Demand	Anodyne	CACNA1I	51	38
NC(=O)COc1ccc(CN2c3ccccc3C[C@H]2CO)cc1	ZINC000852405472	DD	On-Demand	Anodyne	DRD4	20	47
NC(=O)COc1ccc(CN2c3ccccc3C[C@@H]2CO)cc1	ZINC000852405473	DD	On-Demand	Anodyne	DRD4	20	47
O=C(CN1c2ccccc2C[C@@H]1CO)Nc1ccccc1SC(F)F	ZINC000852405566	FG	On-Demand	Anodyne	KCNQ2	40	34
O=C(CN1c2ccccc2C[C@H]1CO)Nc1ccccc1SC(F)F	ZINC000852405567	FG	On-Demand	Anodyne	KCNQ2	40	34
COC(=O)Cc1ccccc1CNC(=O)N[C@H](C)c1cscn1	ZINC000852405588	EE	On-Demand	Anodyne	ANPEP	15	40
COC(=O)Cc1ccccc1CNC(=O)N[C@@H](C)c1cscn1	ZINC000852405589	EE	On-Demand	Anodyne	ANPEP	15	40
COC(=O)Cc1ccccc1CNC(=O)N[C@@H](C)C1CCC(F)CC1	ZINC000852405593	FG	On-Demand	Anodyne	ANPEP	16	41
COC(=O)Cc1ccccc1CNC(=O)N[C@H](C)C1CCC(F)CC1	ZINC000852405594	FG	On-Demand	Anodyne	ANPEP	16	41
CS(=O)(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2CO)c1	ZINC000852405598	FD	On-Demand	Anodyne	TPP2	50	30
CS(=O)(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@@H]2CO)c1	ZINC000852405599	FD	On-Demand	Anodyne	TPP2	50	30
COC(=O)Cc1ccccc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852405602	GE	On-Demand	Anodyne	KCNQ2	47	34
COC(=O)Cc1ccccc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852405602	GE	On-Demand	Anodyne	TRPV1	21	41
COC(=O)Cc1ccccc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852405602	GE	On-Demand	Anodyne	SCN2A	19	46
COC(=O)Cc1ccccc1CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852405602	GE	On-Demand	Anodyne	SCN10A	25	46
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1noc2ccccc12	ZINC000852405626	EH	On-Demand	Anodyne	P2RX7	34	44
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1noc2ccccc12	ZINC000852405627	EH	On-Demand	Anodyne	P2RX7	34	44
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852405651	FF	On-Demand	Anodyne	SIGMAR1	16	48
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852405651	FF	On-Demand	Anodyne	SLC6A5	17	42
COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C2CCCCC2)C1	ZINC000852405651	FF	On-Demand	Anodyne	EPHX2	31	48
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852405652	FF	On-Demand	Anodyne	SIGMAR1	16	48
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852405652	FF	On-Demand	Anodyne	SLC6A5	17	42
COC(=O)Cc1ccccc1CNC(=O)N[C@H]1CCN(C2CCCCC2)C1	ZINC000852405652	FF	On-Demand	Anodyne	EPHX2	31	48
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852405678	DE	On-Demand	Anodyne	PRKCD	29	40
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@@H]1CO	ZINC000852405678	DE	On-Demand	Anodyne	TPP2	61	39
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852405681	DE	On-Demand	Anodyne	PRKCD	29	40
CCCCC[C@@H](C)NC(=O)CN1c2ccccc2C[C@H]1CO	ZINC000852405681	DE	On-Demand	Anodyne	TPP2	61	39
O=C(NCc1noc2ccccc12)NCC1CCN(Cc2ccncc2)CC1	ZINC000852405685	GF	On-Demand	Anodyne	ACHE	40	54
O=C(NCc1noc2ccccc12)NCC1CCN(Cc2ccncc2)CC1	ZINC000852405685	GF	On-Demand	Anodyne	HTR4	55	44
O=C(NCc1noc2ccccc12)NCC1CCN(Cc2ccncc2)CC1	ZINC000852405685	GF	On-Demand	Anodyne	SIGMAR1	31	41
O=C(NCc1noc2ccccc12)NCC1CCN(Cc2ccncc2)CC1	ZINC000852405685	GF	On-Demand	Anodyne	CACNA1I	44	38
O=C(NCc1noc2ccccc12)NCC1CCN(CC2CC2)CC1	ZINC000852405733	EF	On-Demand	Anodyne	HTR4	55	38
O=C(NCc1noc2ccccc12)NCC1CCN(CC2CC2)CC1	ZINC000852405733	EF	On-Demand	Anodyne	CACNA1I	46	33
COC(=O)Cc1ccccc1CNC(=O)N[C@H](c1ccccc1F)C(C)C	ZINC000852405799	FH	On-Demand	Anodyne	ANPEP	18	41
COC(=O)Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1F)C(C)C	ZINC000852405800	FH	On-Demand	Anodyne	ANPEP	18	41
COC(=O)Cc1ccccc1CNC(=O)N[C@@H](C)CN1CCC(C)CC1	ZINC000852405807	FE	On-Demand	Anodyne	PLD1	44	35
COC(=O)Cc1ccccc1CNC(=O)N[C@H](C)CN1CCC(C)CC1	ZINC000852405808	FE	On-Demand	Anodyne	PLD1	44	35
O=C(c1ccc(CN2c3ccccc3C[C@H]2CO)cc1)N1CCCC1	ZINC000852405831	EF	On-Demand	Anodyne	DRD4	25	49
O=C(c1ccc(CN2c3ccccc3C[C@H]2CO)cc1)N1CCCC1	ZINC000852405831	EF	On-Demand	Anodyne	AVPR1A	20	41
O=C(c1ccc(CN2c3ccccc3C[C@H]2CO)cc1)N1CCCC1	ZINC000852405831	EF	On-Demand	Anodyne	L3MBTL3	79	44
O=C(c1ccc(CN2c3ccccc3C[C@@H]2CO)cc1)N1CCCC1	ZINC000852405832	EF	On-Demand	Anodyne	DRD4	25	49
O=C(c1ccc(CN2c3ccccc3C[C@@H]2CO)cc1)N1CCCC1	ZINC000852405832	EF	On-Demand	Anodyne	AVPR1A	20	41
O=C(c1ccc(CN2c3ccccc3C[C@@H]2CO)cc1)N1CCCC1	ZINC000852405832	EF	On-Demand	Anodyne	L3MBTL3	79	44
CC(C)c1ccc2c(c1)CN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)CC2	ZINC000852405909	GG	On-Demand	Anodyne	AKR1C3	35	42
CC(C)c1ccc2c(c1)CN(CCc1ccc(S(N)(=O)=O)cc1)CC2	ZINC000852405936	FG	On-Demand	Anodyne	CA2	42	42
CC(C)c1ccc2c(c1)CN(CCc1ccc(S(N)(=O)=O)cc1)CC2	ZINC000852405936	FG	On-Demand	Anodyne	CA1	39	42
CC(C)c1ccc2c(c1)CN(CCc1ccc(S(N)(=O)=O)cc1)CC2	ZINC000852405936	FG	On-Demand	Anodyne	CA4	24	40
CC(C)c1ccc2c(c1)CN(CCc1ccc(S(N)(=O)=O)cc1)CC2	ZINC000852405936	FG	On-Demand	Anodyne	ABCB1	15	42
CC(C)c1ccc2c(c1)CN(CCc1ccc(S(N)(=O)=O)cc1)CC2	ZINC000852405936	FG	On-Demand	Anodyne	CA12	26	42
CC(C)c1ccc2c(c1)CN(CCc1ccc(S(N)(=O)=O)cc1)CC2	ZINC000852405936	FG	On-Demand	Anodyne	CA9	39	42
CC(C)c1ccc2c(c1)CN(CCc1ccc(S(N)(=O)=O)cc1)CC2	ZINC000852405936	FG	On-Demand	Anodyne	KCNJ1	15	43
O[C@@H](CN1CCc2ccc(Cl)c(Cl)c2C1)c1ccccn1	ZINC000852405978	DG	On-Demand	Anodyne	PNMT	15	53
O[C@H](CN1CCc2ccc(Cl)c(Cl)c2C1)c1ccccn1	ZINC000852405979	DG	On-Demand	Anodyne	PNMT	15	53
O=C1CC[C@@H](N2CCc3ccc(Cl)c(Cl)c3C2)C(=O)N1	ZINC000852405991	DE	On-Demand	Anodyne	PNMT	15	48
O=C1CC[C@H](N2CCc3ccc(Cl)c(Cl)c3C2)C(=O)N1	ZINC000852405992	DE	On-Demand	Anodyne	PNMT	15	48
CC(=O)CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406016	CG	On-Demand	Anodyne	PNMT	20	72
O=C1O[C@@H](CN2CCc3ccc(Cl)c(Cl)c3C2)CC12CC2	ZINC000852406040	EG	On-Demand	Anodyne	PNMT	15	53
O=C1O[C@H](CN2CCc3ccc(Cl)c(Cl)c3C2)CC12CC2	ZINC000852406041	EG	On-Demand	Anodyne	PNMT	15	53
O=C(CN1CCc2ccc(Cl)c(Cl)c2C1)NNC(=O)c1cccs1	ZINC000852406066	GF	On-Demand	Reactive	PNMT	15	49
N#CCCNC(=O)CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406085	DE	On-Demand	Mild	PNMT	15	53
CCOC(=O)C1=C(CN2CCc3ccc(C)cc3C2)NC(=O)N[C@@H]1C	ZINC000852406088	ED	On-Demand	Anodyne	NOD2	25	41
CCOC(=O)C1=C(CN2CCc3ccc(C)cc3C2)NC(=O)N[C@H]1C	ZINC000852406089	ED	On-Demand	Anodyne	NOD2	25	41
CC(C)c1ccc2c(c1)CN(Cc1ccc(OCC(N)=O)cc1)CC2	ZINC000852406107	EG	On-Demand	Anodyne	ABCB1	18	43
CC(C)c1ccc2c(c1)CN(Cc1ccc(OCC(N)=O)cc1)CC2	ZINC000852406107	EG	On-Demand	Anodyne	NOD1	18	42
CC(C)c1ccc2c(c1)CN(Cc1ccc(OCC(N)=O)cc1)CC2	ZINC000852406107	EG	On-Demand	Anodyne	NOD2	49	45
O=C1O[C@H](CN2CCc3ccc(Cl)c(Cl)c3C2)CN1C1CC1	ZINC000852406197	EG	On-Demand	Anodyne	PNMT	15	51
O=C1O[C@@H](CN2CCc3ccc(Cl)c(Cl)c3C2)CN1C1CC1	ZINC000852406198	EG	On-Demand	Anodyne	PNMT	15	51
CC(C)(C)C(=O)NNC(=O)CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406208	FF	On-Demand	Reactive	PNMT	16	54
Cn1ncc(CN2CCc3ccc(Cl)c(Cl)c3C2)n1	ZINC000852406210	CF	On-Demand	Anodyne	PNMT	17	60
O=C(CN1CCc2ccc(Cl)c(Cl)c2C1)N1CCC2(CC1)OCCO2	ZINC000852406214	GF	On-Demand	Anodyne	PNMT	15	52
O=S1(=O)CCC(CN2CCc3ccc(Cl)c(Cl)c3C2)CC1	ZINC000852406215	EG	On-Demand	Anodyne	PNMT	17	58
O=C1OCC[C@H]1CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406217	DG	On-Demand	Anodyne	PNMT	17	61
O=C1OCC[C@@H]1CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406218	DG	On-Demand	Anodyne	PNMT	17	61
C#CCNC(=O)CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406219	CE	On-Demand	Mild	PNMT	16	55
O=C1CC[C@@H](CN2CCc3ccc(Cl)c(Cl)c3C2)O1	ZINC000852406243	DG	On-Demand	Anodyne	PNMT	17	57
O=C1CC[C@H](CN2CCc3ccc(Cl)c(Cl)c3C2)O1	ZINC000852406244	DG	On-Demand	Anodyne	PNMT	17	57
CON(C)C(=O)CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406245	DF	On-Demand	Anodyne	PNMT	17	61
O=C(CN1CCc2ccc(Cl)c(Cl)c2C1)Nc1cccnc1Cl	ZINC000852406264	FI	On-Demand	Anodyne	G2YM83_BOTF4	61	35
Cc1cnc(CN2CCc3ccc(Cl)c(Cl)c3C2)cn1	ZINC000852406285	DH	On-Demand	Anodyne	PNMT	17	60
CCOC(=O)N1CCC(NC(=O)CN2CCc3ccc(C(C)C)cc3C2)CC1	ZINC000852406426	GF	On-Demand	Anodyne	EPHX2	15	42
CCOC(=O)N1CCC(NC(=O)CN2CCc3ccc(C(C)C)cc3C2)CC1	ZINC000852406426	GF	On-Demand	Anodyne	CCR8	32	42
C[S@@](=O)CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406473	CF	On-Demand	Anodyne	PNMT	20	71
O=C1OCCN1CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406517	DF	On-Demand	Anodyne	PNMT	18	68
O[C@H](CN1CCCC1)CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406518	EF	On-Demand	Anodyne	PNMT	19	63
O[C@@H](CN1CCCC1)CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406519	EF	On-Demand	Anodyne	PNMT	19	63
CC(=O)c1ccc(OC[C@@H](O)CN2CCc3ccc(C)cc3C2)cc1	ZINC000852406542	EF	On-Demand	Anodyne	ACOX1	79	39
CC(=O)c1ccc(OC[C@@H](O)CN2CCc3ccc(C)cc3C2)cc1	ZINC000852406542	EF	On-Demand	Anodyne	ABCB1	74	47
CC(=O)c1ccc(OC[C@@H](O)CN2CCc3ccc(C)cc3C2)cc1	ZINC000852406542	EF	On-Demand	Anodyne	NOD2	40	37
CC(=O)c1ccc(OC[C@H](O)CN2CCc3ccc(C)cc3C2)cc1	ZINC000852406543	EF	On-Demand	Anodyne	ACOX1	79	39
CC(=O)c1ccc(OC[C@H](O)CN2CCc3ccc(C)cc3C2)cc1	ZINC000852406543	EF	On-Demand	Anodyne	ABCB1	74	47
CC(=O)c1ccc(OC[C@H](O)CN2CCc3ccc(C)cc3C2)cc1	ZINC000852406543	EF	On-Demand	Anodyne	NOD2	40	37
O=C(CN1CCc2ccc(Cl)c(Cl)c2C1)NNC(=O)C1CC1	ZINC000852406573	ED	On-Demand	Reactive	PNMT	16	55
C[C@@H](C#N)OCCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406574	CG	On-Demand	Mild	PNMT	17	61
C[C@H](C#N)OCCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406575	CG	On-Demand	Mild	PNMT	17	61
O=C(CCN1CCc2ccc(Cl)c(Cl)c2C1)N1CCCC1	ZINC000852406576	EG	On-Demand	Anodyne	PNMT	19	67
O=C1O[C@@H](CN2CCc3ccc(Cl)c(Cl)c3C2)CC12CCC2	ZINC000852406590	EH	On-Demand	Anodyne	PNMT	15	50
O=C1O[C@H](CN2CCc3ccc(Cl)c(Cl)c3C2)CC12CCC2	ZINC000852406591	EH	On-Demand	Anodyne	PNMT	15	50
O[C@@H](CN1CCc2ccc(Cl)c(Cl)c2C1)c1ccc(F)cn1	ZINC000852406592	EH	On-Demand	Anodyne	PNMT	15	51
O[C@H](CN1CCc2ccc(Cl)c(Cl)c2C1)c1ccc(F)cn1	ZINC000852406593	EH	On-Demand	Anodyne	PNMT	15	51
CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H](C)COc1ccccc1	ZINC000852406620	GF	On-Demand	Anodyne	CPT1A	88	36
CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H](C)COc1ccccc1	ZINC000852406621	GF	On-Demand	Anodyne	CPT1A	88	36
N#Cc1ccc([C@@H](O)CN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406628	EH	On-Demand	Mild	PNMT	16	53
N#Cc1ccc([C@H](O)CN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406629	EH	On-Demand	Mild	PNMT	16	53
NC(=O)[C@@](O)(CN1CCc2ccc(Cl)c(Cl)c2C1)c1ccccc1	ZINC000852406635	FF	On-Demand	Anodyne	PNMT	16	55
NC(=O)[C@](O)(CN1CCc2ccc(Cl)c(Cl)c2C1)c1ccccc1	ZINC000852406636	FF	On-Demand	Anodyne	PNMT	16	55
O=C(NCCCN1CCc2ccc(Cl)c(Cl)c2C1)C(F)(F)F	ZINC000852406640	FG	On-Demand	Anodyne	PNMT	18	67
CCOP(=O)(OCC)[C@H](O)CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406655	GH	On-Demand	Anodyne	PNMT	15	52
CCOP(=O)(OCC)[C@@H](O)CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406656	GH	On-Demand	Anodyne	PNMT	15	52
NC(=O)NC(=O)OCCCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406672	EF	On-Demand	Anodyne	PNMT	18	67
FC(F)OCCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406677	CH	On-Demand	Anodyne	PNMT	19	69
C#CCNC(=O)CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406698	DE	On-Demand	Mild	PNMT	17	60
NS(=O)(=O)CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406700	DD	On-Demand	Anodyne	PNMT	20	73
O[C@H](CN1CCc2ccc(Cl)c(Cl)c2C1)C1CC1	ZINC000852406701	CG	On-Demand	Anodyne	PNMT	18	61
O[C@@H](CN1CCc2ccc(Cl)c(Cl)c2C1)C1CC1	ZINC000852406702	CG	On-Demand	Anodyne	PNMT	18	61
O=C1OCC[C@H]1N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406704	CF	On-Demand	Anodyne	PNMT	15	49
O=C1OCC[C@@H]1N1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406705	CF	On-Demand	Anodyne	PNMT	15	49
CON(C)C(=O)CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406710	DE	On-Demand	Anodyne	PNMT	17	57
Cc1oncc1CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406714	CH	On-Demand	Anodyne	PNMT	17	57
NS(=O)(=O)c1ccc(CCN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406730	GG	On-Demand	Anodyne	CA2	36	46
NS(=O)(=O)c1ccc(CCN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406730	GG	On-Demand	Anodyne	CA1	38	46
NS(=O)(=O)c1ccc(CCN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406730	GG	On-Demand	Anodyne	CA7	27	46
NS(=O)(=O)c1ccc(CCN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406730	GG	On-Demand	Anodyne	PNMT	17	61
O[C@@H](CN1CCc2ccc(Cl)c(Cl)c2C1)c1cccnc1	ZINC000852406742	DG	On-Demand	Anodyne	PNMT	15	52
O[C@H](CN1CCc2ccc(Cl)c(Cl)c2C1)c1cccnc1	ZINC000852406743	DG	On-Demand	Anodyne	PNMT	15	52
FCCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406749	BG	On-Demand	Anodyne	PNMT	23	82
NC(=O)COc1ccc(CN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406752	FG	On-Demand	Anodyne	PNMT	15	53
NC(=O)COc1ccc(CN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406752	FG	On-Demand	Anodyne	NOD1	17	40
NC(=O)COc1ccc(CN2CCc3ccc(Cl)c(Cl)c3C2)cc1	ZINC000852406752	FG	On-Demand	Anodyne	NOD2	47	43
CCC(=O)CCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406755	CH	On-Demand	Anodyne	PNMT	19	68
O=C1OCCN1CCCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406770	EG	On-Demand	Anodyne	PNMT	18	66
CCn1nc(C)c(CN2CCc3ccc(Cl)c(Cl)c3C2)n1	ZINC000852406833	EG	On-Demand	Anodyne	PNMT	16	54
CN(C)S(=O)(=O)c1ccc(CN2CCc3ccc(Cl)c(Cl)c3C2)o1	ZINC000852406840	GG	On-Demand	Anodyne	PNMT	15	51
COCCS(=O)(=O)CCCN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406842	FF	On-Demand	Anodyne	PNMT	17	63
Cc1nonc1CN1CCc2ccc(Cl)c(Cl)c2C1	ZINC000852406843	CG	On-Demand	Anodyne	PNMT	17	57
CC(C)c1ccc2c(c1)CN(Cc1nc3ccccc3c(=O)n1CC#N)CC2	ZINC000852406851	FH	On-Demand	Mild	ABCB1B	47	49
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N1CCC[C@H]2C[C@H]1C2(C)C	ZINC000852407298	GE	On-Demand	Reactive	CTRA_BOVIN	49	32
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N1CCC[C@H]2C[C@H]1C2(C)C	ZINC000852407298	GE	On-Demand	Reactive	CELA2A	40	32
N#CCCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407489	EE	On-Demand	Mild	DRD4	44	36
N#CCCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407489	EE	On-Demand	Mild	DRD3	18	44
N#CCCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407489	EE	On-Demand	Mild	RPA1	80	38
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)NCc1ccccc1Cl	ZINC000852407512	GE	On-Demand	Reactive	P2RX7	53	41
C[C@@](O)(CN1CCC(C2CCC2)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000852407520	FF	On-Demand	Anodyne	HSD11B1	15	41
C[C@@](O)(CN1CCC(C2CCC2)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000852407520	FF	On-Demand	Anodyne	GPR119	29	44
O=C(CN1CCC(C2CCC2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852407541	FG	On-Demand	Anodyne	DRD4	33	43
O=C(CN1CCC(C2CCC2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852407541	FG	On-Demand	Anodyne	CNR2	21	40
O=C(CN1CCC(C2CCC2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852407541	FG	On-Demand	Anodyne	SIGMAR1	18	44
O=C(CN1CCC(C2CCC2)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852407541	FG	On-Demand	Anodyne	CCR8	47	35
O=C1OCC[C@H]1N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407553	DE	On-Demand	Anodyne	BCL2A1	54	40
O=C1OCC[C@@H]1N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407555	DE	On-Demand	Anodyne	BCL2A1	54	40
O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852407556	DG	On-Demand	Bother	KCNJ1	22	44
O=[N+]([O-])c1ccc([C@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852407558	DG	On-Demand	Bother	KCNJ1	22	44
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N1CC[C@H](c2ccccc2)C1	ZINC000852407560	GE	On-Demand	Reactive	ADAM10	20	42
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NNC(=O)N1CC[C@@H](c2ccccc2)C1	ZINC000852407562	GE	On-Demand	Reactive	ADAM10	20	42
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	HTR1A	59	48
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	DRD2	30	48
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	DRD4	30	45
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	ADRA1D	16	48
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	HTR2A	38	48
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	ADRA1A	15	40
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	ADRA1B	16	40
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	DRD3	30	45
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	HTR7	58	48
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	SIGMAR1	24	41
O=C1OCCN1CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407566	FF	On-Demand	Anodyne	BCL2A1	59	44
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CC1	ZINC000852407589	DF	On-Demand	Anodyne	DRD4	24	47
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CC1	ZINC000852407589	DF	On-Demand	Anodyne	BCL2A1	48	40
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CC1	ZINC000852407591	DF	On-Demand	Anodyne	DRD4	24	47
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CC1	ZINC000852407591	DF	On-Demand	Anodyne	BCL2A1	48	40
CCn1nc(C)c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852407604	FG	On-Demand	Anodyne	DRD4	26	50
CCn1nc(C)c(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852407604	FG	On-Demand	Anodyne	BCL2A1	46	44
CCOC(=O)C1=C(CN2CCC(C3CCC3)CC2)NC(=O)N[C@@H]1C	ZINC000852407606	EE	On-Demand	Anodyne	SLC27A4	54	31
CCOC(=O)C1=C(CN2CCC(C3CCC3)CC2)NC(=O)N[C@H]1C	ZINC000852407608	EE	On-Demand	Anodyne	SLC27A4	54	31
O=C1O[C@@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC12CC2	ZINC000852407705	FG	On-Demand	Anodyne	BCL2A1	48	39
O=C1O[C@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC12CC2	ZINC000852407706	FG	On-Demand	Anodyne	BCL2A1	48	39
CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407707	FE	On-Demand	Reactive	BCL2A1	49	37
CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407708	FE	On-Demand	Reactive	BCL2A1	49	37
O=C1CC[C@@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1	ZINC000852407727	ED	On-Demand	Anodyne	BCL2A1	52	36
O=C1CC[C@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1	ZINC000852407729	ED	On-Demand	Anodyne	BCL2A1	52	36
O[C@@H](CN1CCC(C2CCC2)CC1)c1cccnc1	ZINC000852407731	CF	On-Demand	Anodyne	ADRB3	51	42
O[C@H](CN1CCC(C2CCC2)CC1)c1cccnc1	ZINC000852407732	CF	On-Demand	Anodyne	ADRB3	51	42
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407769	EG	On-Demand	Mild	HTR1A	26	44
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407769	EG	On-Demand	Mild	DRD2	15	44
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407769	EG	On-Demand	Mild	DRD4	42	35
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407769	EG	On-Demand	Mild	HTR2A	20	44
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407769	EG	On-Demand	Mild	HTR7	21	44
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407769	EG	On-Demand	Mild	SIGMAR1	20	47
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407769	EG	On-Demand	Mild	BCL2A1	47	44
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407770	EG	On-Demand	Mild	HTR1A	26	44
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407770	EG	On-Demand	Mild	DRD2	15	44
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407770	EG	On-Demand	Mild	DRD4	42	35
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407770	EG	On-Demand	Mild	HTR2A	20	44
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407770	EG	On-Demand	Mild	HTR7	21	44
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407770	EG	On-Demand	Mild	SIGMAR1	20	47
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407770	EG	On-Demand	Mild	BCL2A1	47	44
CC[C@@H](NC(=O)NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1ccccc1	ZINC000852407790	GE	On-Demand	Reactive	TACR3	45	36
O=C(CN1CCC(C2CCC2)CC1)Nc1cccnc1Cl	ZINC000852407791	DG	On-Demand	Anodyne	G2YM83_BOTF4	71	37
O=C(CCN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852407823	FG	On-Demand	Anodyne	MTOR	74	38
O=C(CCN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852407823	FG	On-Demand	Anodyne	EPHX2	27	46
O=C(CCN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852407823	FG	On-Demand	Anodyne	TERT	19	45
O=C(CCN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852407823	FG	On-Demand	Anodyne	STAT6	56	34
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	HTR1A	56	44
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	DRD2	44	51
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	DRD4	48	38
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	HTR2A	43	45
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	HTR2C	29	45
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	SLC6A4	19	45
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	DRD3	59	51
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	HTR7	70	49
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	SIGMAR1	20	43
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	PRCP	18	46
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	BCL2A1	48	42
C#CCNC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407842	EE	On-Demand	Mild	RPA1	42	31
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(C2CCC2)CC1	ZINC000852407848	DH	On-Demand	Anodyne	G2YM83_BOTF4	71	38
N#CCOc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407850	CH	On-Demand	Mild	LTA4H	44	42
N#CCOc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407850	CH	On-Demand	Mild	HRH3	29	47
N#CCOc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407850	CH	On-Demand	Mild	SIGMAR1	36	50
O=C1O[C@@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CN1C1CC1	ZINC000852407851	FG	On-Demand	Anodyne	BCL2A1	47	38
O=C1O[C@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CN1C1CC1	ZINC000852407852	FG	On-Demand	Anodyne	BCL2A1	47	38
O=C1O[C@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC12CCC2	ZINC000852407854	FH	On-Demand	Anodyne	BCL2A1	46	38
O=C1O[C@@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC12CCC2	ZINC000852407857	FH	On-Demand	Anodyne	BCL2A1	46	38
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccccc1	ZINC000852407874	DD	On-Demand	Reactive	DRD4	33	42
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccccc1	ZINC000852407874	DD	On-Demand	Reactive	ACHE	15	42
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccccc1	ZINC000852407874	DD	On-Demand	Reactive	GRIN2B	16	40
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccccc1	ZINC000852407874	DD	On-Demand	Reactive	LTA4H	15	40
NC(=O)[C@@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407881	DD	On-Demand	Anodyne	CHRM2	34	41
NC(=O)[C@@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407881	DD	On-Demand	Anodyne	CHRM1	31	40
NC(=O)[C@@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407881	DD	On-Demand	Anodyne	CHRM3	56	41
NC(=O)[C@@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407881	DD	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407881	DD	On-Demand	Anodyne	CYP2J2	50	36
NC(=O)[C@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407882	DD	On-Demand	Anodyne	CHRM2	34	41
NC(=O)[C@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407882	DD	On-Demand	Anodyne	CHRM1	31	40
NC(=O)[C@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407882	DD	On-Demand	Anodyne	CHRM3	56	41
NC(=O)[C@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407882	DD	On-Demand	Anodyne	AMY2	44	30
NC(=O)[C@](O)(CN1CCC(C2CCC2)CC1)c1ccccc1	ZINC000852407882	DD	On-Demand	Anodyne	CYP2J2	50	36
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccccn1	ZINC000852407884	GF	On-Demand	Anodyne	HTR1A	42	44
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccccn1	ZINC000852407884	GF	On-Demand	Anodyne	DRD2	32	44
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccccn1	ZINC000852407884	GF	On-Demand	Anodyne	DRD4	50	44
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccccn1	ZINC000852407884	GF	On-Demand	Anodyne	HTR2A	29	42
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccccn1	ZINC000852407884	GF	On-Demand	Anodyne	DRD3	37	44
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccccn1	ZINC000852407884	GF	On-Demand	Anodyne	HTR7	42	46
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccccn1	ZINC000852407884	GF	On-Demand	Anodyne	RPA1	88	38
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCc1ccccn1	ZINC000852407884	GF	On-Demand	Anodyne	SLC27A1	41	42
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	HTR1A	74	54
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	DRD2	51	56
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	DRD1	17	42
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	DRD4	73	53
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	ADRA1D	23	54
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	HTR2A	52	51
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	HTR2C	25	46
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	SLC6A4	23	48
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	DRD3	60	56
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	HTR7	79	51
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	SIGMAR1	30	49
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	PRCP	23	45
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	BCL2A1	62	49
CC(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407907	DG	On-Demand	Anodyne	RPA1	48	36
NC(=O)COc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407927	DF	On-Demand	Anodyne	ACHE	27	48
NC(=O)COc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407927	DF	On-Demand	Anodyne	LTA4H	67	44
NC(=O)COc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407927	DF	On-Demand	Anodyne	HRH3	43	52
NC(=O)COc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407927	DF	On-Demand	Anodyne	SIGMAR1	48	45
NC(=O)COc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407927	DF	On-Demand	Anodyne	CHEK2	29	40
NC(=O)COc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852407927	DF	On-Demand	Anodyne	MCHR1	27	40
O=C1[C@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CCN1C1CCOCC1	ZINC000852407930	GF	On-Demand	Anodyne	BCL2A1	51	42
O=C1[C@@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CCN1C1CCOCC1	ZINC000852407931	GF	On-Demand	Anodyne	BCL2A1	51	42
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccccc1Cl	ZINC000852407935	EF	On-Demand	Reactive	DRD4	35	41
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccccc1Cl	ZINC000852407935	EF	On-Demand	Reactive	NR2E3	61	37
Fc1cccc(-c2nnc(CN3CCC(C4CCC4)CC3)o2)c1	ZINC000852407936	DH	On-Demand	Anodyne	CYP73A16	15	45
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	HTR1A	56	51
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	DRD2	35	50
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	DRD4	44	50
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	ADRA1D	15	51
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	HTR2A	39	46
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	HTR2C	17	43
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	DRD3	41	50
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	HTR7	53	46
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	SIGMAR1	27	43
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	PRCP	25	44
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	CCR1	20	41
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	SSTR1	29	49
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	BCL2A1	51	46
O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCCC1	ZINC000852407946	FG	On-Demand	Anodyne	L3MBTL3	22	40
O[C@@H](CN1CCC(C2CCC2)CC1)c1ccc(F)cc1	ZINC000852407956	CG	On-Demand	Anodyne	SLC6A3	42	50
O[C@@H](CN1CCC(C2CCC2)CC1)c1ccc(F)cc1	ZINC000852407956	CG	On-Demand	Anodyne	SLC18A3	15	47
O[C@H](CN1CCC(C2CCC2)CC1)c1ccc(F)cc1	ZINC000852407957	CG	On-Demand	Anodyne	SLC6A3	42	50
O[C@H](CN1CCC(C2CCC2)CC1)c1ccc(F)cc1	ZINC000852407957	CG	On-Demand	Anodyne	SLC18A3	15	47
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852407962	ED	On-Demand	Reactive	DRD4	21	48
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852407962	ED	On-Demand	Reactive	CCR3	18	44
N#Cc1cccc(C(=O)NNC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852407962	ED	On-Demand	Reactive	MCHR1	38	41
Cc1cnc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cn1	ZINC000852407966	EG	On-Demand	Anodyne	DRD4	39	53
Cc1cnc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cn1	ZINC000852407966	EG	On-Demand	Anodyne	BCL2A1	53	41
C[C@H]1[C@H](C)CCCN1C(=O)NNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C	ZINC000852407980	FD	On-Demand	Reactive	TRPC6	44	32
C[C@@H]1CCCN(C(=O)NNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)[C@@H]1C	ZINC000852407981	FD	On-Demand	Reactive	TRPC6	44	32
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	HTR1A	32	48
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	DRD2	19	53
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	DRD4	26	45
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	HTR2A	21	44
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	DRD3	19	53
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	HTR7	30	45
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	SIGMAR1	20	40
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	BCL2A1	58	44
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407987	EG	On-Demand	Anodyne	L3MBTL3	22	40
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	HTR1A	32	48
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	DRD2	19	53
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	DRD4	26	45
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	HTR2A	21	44
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	DRD3	19	53
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	HTR7	30	45
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	SIGMAR1	20	40
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	BCL2A1	58	44
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852407988	EG	On-Demand	Anodyne	L3MBTL3	22	40
Cn1ncc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852407990	EE	On-Demand	Anodyne	HTR1A	16	55
Cn1ncc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852407990	EE	On-Demand	Anodyne	DRD4	42	55
Cn1ncc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852407990	EE	On-Demand	Anodyne	SIGMAR1	16	42
Cn1ncc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000852407990	EE	On-Demand	Anodyne	BCL2A1	46	40
c1ccc(Cn2cc(CN3CCC(C4CCC4)CC3)nn2)cc1	ZINC000852407999	DG	On-Demand	Anodyne	DRD2	15	47
c1ccc(Cn2cc(CN3CCC(C4CCC4)CC3)nn2)cc1	ZINC000852407999	DG	On-Demand	Anodyne	DRD4	37	47
c1ccc(Cn2cc(CN3CCC(C4CCC4)CC3)nn2)cc1	ZINC000852407999	DG	On-Demand	Anodyne	ACHE	41	47
c1ccc(Cn2cc(CN3CCC(C4CCC4)CC3)nn2)cc1	ZINC000852407999	DG	On-Demand	Anodyne	SIGMAR1	66	45
O=C1c2ccccc2C(=O)N1OCCCN1CCC(C2CCC2)CC1	ZINC000852408008	EG	On-Demand	Anodyne	HTR1A	21	41
O=C1c2ccccc2C(=O)N1OCCCN1CCC(C2CCC2)CC1	ZINC000852408008	EG	On-Demand	Anodyne	HRH3	41	49
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA2	79	47
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA6	19	46
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA1	76	47
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA7	51	47
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	HRH3	21	54
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	SIGMAR1	25	42
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA13	24	46
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA4	50	45
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA12	55	47
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA9	66	47
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CAH_METTE	26	46
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CYNT	35	41
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	NCE103	23	46
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	CA15	20	46
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	KCNJ1	33	44
NS(=O)(=O)c1ccc(CCN2CCC(C3CCC3)CC2)cc1	ZINC000852408012	DE	On-Demand	Anodyne	A6YCJ1_9METZ	27	46
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1cccs1	ZINC000852408022	DE	On-Demand	Reactive	NOS1	31	40
CN1C(=O)CCc2cc(CN3CCC(C4CCC4)CC3)ccc21	ZINC000852408030	DH	On-Demand	Anodyne	ACHE	16	41
CN1C(=O)CCc2cc(CN3CCC(C4CCC4)CC3)ccc21	ZINC000852408030	DH	On-Demand	Anodyne	SIGMAR1	18	41
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852408036	GG	On-Demand	Anodyne	TGM2	40	36
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852408036	GG	On-Demand	Anodyne	F13A1	65	36
CCOC(=O)N1CCC(NC(=O)CN2CCC(C3CCC3)CC2)CC1	ZINC000852408041	FE	On-Demand	Anodyne	CCR8	22	42
CON(C)C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408042	EE	On-Demand	Anodyne	HTR1A	17	42
CON(C)C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408042	EE	On-Demand	Anodyne	DRD4	43	35
CON(C)C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408042	EE	On-Demand	Anodyne	HTR7	16	44
CON(C)C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408042	EE	On-Demand	Anodyne	SIGMAR1	16	41
CON(C)C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408042	EE	On-Demand	Anodyne	CCR1	24	41
CON(C)C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408042	EE	On-Demand	Anodyne	BCL2A1	57	41
CON(C)C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408042	EE	On-Demand	Anodyne	RPA1	49	37
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408045	GE	On-Demand	Reactive	NPY2R	15	41
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408045	GE	On-Demand	Reactive	BCL2A1	53	40
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408045	GE	On-Demand	Reactive	RPA1	70	36
O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408046	DG	On-Demand	Bother	CACNA1D	50	32
O=[N+]([O-])c1cccc([C@H](O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408047	DG	On-Demand	Bother	CACNA1D	50	32
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852408048	FF	On-Demand	Anodyne	PIK3CA	46	39
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852408048	FF	On-Demand	Anodyne	MTOR	95	39
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852408048	FF	On-Demand	Anodyne	EPHX2	24	47
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852408048	FF	On-Demand	Anodyne	STAT6	59	33
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852408048	FF	On-Demand	Anodyne	SLC27A1	42	40
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	HTR1A	35	53
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	DRD2	21	45
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	DRD4	28	47
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	ADRA1D	19	53
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	HTR2A	22	45
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	DRD3	19	47
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	HTR7	34	45
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	SIGMAR1	20	42
O=C1OCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408053	EF	On-Demand	Anodyne	BCL2A1	61	45
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	HTR1A	41	52
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	DRD2	22	51
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	DRD4	33	49
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	ADRA1D	15	52
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	HTR2A	35	52
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	DRD3	19	51
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	HTR7	49	52
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	SIGMAR1	23	44
NS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408063	ED	On-Demand	Anodyne	BCL2A1	60	47
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852408087	EE	On-Demand	Reactive	DRD4	19	43
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852408087	EE	On-Demand	Reactive	HTR2A	18	41
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852408087	EE	On-Demand	Reactive	SIGMAR1	15	42
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852408087	EE	On-Demand	Reactive	CCR3	32	42
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1ccc(F)cc1	ZINC000852408087	EE	On-Demand	Reactive	WNT3A	49	39
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1	ZINC000852408092	FG	On-Demand	Anodyne	DRD4	23	45
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1	ZINC000852408092	FG	On-Demand	Anodyne	CYP51A1	15	43
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1	ZINC000852408092	FG	On-Demand	Anodyne	BCL2A1	40	38
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1	ZINC000852408093	FG	On-Demand	Anodyne	DRD4	23	45
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1	ZINC000852408093	FG	On-Demand	Anodyne	CYP51A1	15	43
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1	ZINC000852408093	FG	On-Demand	Anodyne	BCL2A1	40	38
CC(=O)Nc1ccc2c(CN3CCC(C4CCC4)CC3)cc(=O)oc2c1	ZINC000852408095	FH	On-Demand	Anodyne	MCHR1	34	42
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	HTR1A	52	45
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	DRD2	29	54
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	DRD4	49	47
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	ADRA1D	19	45
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	HTR2A	34	45
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	HTR2C	16	41
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	SLC6A4	15	42
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	DRD3	35	54
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	HTR4	15	40
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	HTR7	55	48
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	TACR2	41	34
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	SIGMAR1	24	44
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	PRCP	15	41
CON(C)C(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408126	EF	On-Demand	Anodyne	BCL2A1	57	43
O=S1(=O)CCC(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1	ZINC000852408128	GF	On-Demand	Anodyne	DRD4	18	51
O=S1(=O)CCC(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1	ZINC000852408128	GF	On-Demand	Anodyne	CCR3	15	46
O=S1(=O)CCC(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1	ZINC000852408128	GF	On-Demand	Anodyne	BCL2A1	48	40
O[C@@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408129	FF	On-Demand	Anodyne	DRD4	28	49
O[C@@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408129	FF	On-Demand	Anodyne	OPRK1	15	44
O[C@@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408129	FF	On-Demand	Anodyne	SIGMAR1	18	41
O[C@@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408129	FF	On-Demand	Anodyne	BCL2A1	49	42
O[C@@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408129	FF	On-Demand	Anodyne	L3MBTL3	18	40
O[C@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408130	FF	On-Demand	Anodyne	DRD4	28	49
O[C@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408130	FF	On-Demand	Anodyne	OPRK1	15	44
O[C@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408130	FF	On-Demand	Anodyne	SIGMAR1	18	41
O[C@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408130	FF	On-Demand	Anodyne	BCL2A1	49	42
O[C@H](CN1CCCC1)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408130	FF	On-Demand	Anodyne	L3MBTL3	18	40
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852408147	FD	On-Demand	Reactive	DRD4	20	40
O=C(CN1CCC(C2CCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852408147	FD	On-Demand	Reactive	CACNA1D	43	34
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852408152	EF	On-Demand	Anodyne	TERT	18	42
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852408152	EF	On-Demand	Anodyne	MCHR1	23	43
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852408152	EF	On-Demand	Anodyne	NR2E3	53	36
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408153	EG	On-Demand	Anodyne	ADRB2	21	42
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408153	EG	On-Demand	Anodyne	ADRB1	36	42
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408153	EG	On-Demand	Anodyne	HRH3	19	46
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408153	EG	On-Demand	Anodyne	ACOX1	79	36
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408153	EG	On-Demand	Anodyne	ABCB1	76	50
CC(=O)c1ccc(OC[C@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408154	EG	On-Demand	Anodyne	ADRB2	21	42
CC(=O)c1ccc(OC[C@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408154	EG	On-Demand	Anodyne	ADRB1	36	42
CC(=O)c1ccc(OC[C@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408154	EG	On-Demand	Anodyne	HRH3	19	46
CC(=O)c1ccc(OC[C@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408154	EG	On-Demand	Anodyne	ACOX1	79	36
CC(=O)c1ccc(OC[C@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408154	EG	On-Demand	Anodyne	ABCB1	76	50
O=C(NCCCN1CCC(C2CCC2)CC1)C(F)(F)F	ZINC000852408170	CF	On-Demand	Anodyne	CCR3	18	40
O=C(CCN1CCC(C2CCC2)CC1)N1CCCC1	ZINC000852408171	CF	On-Demand	Anodyne	PREP	21	41
CS(=O)(=O)c1ccc([C@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408178	EF	On-Demand	Anodyne	GPR119	28	40
CS(=O)(=O)c1ccc([C@@H](O)CN2CCC(C3CCC3)CC2)cc1	ZINC000852408179	EF	On-Demand	Anodyne	GPR119	28	40
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	HTR1A	44	52
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	DRD2	23	49
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	DRD4	42	34
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	ADRA1D	16	52
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	HTR2A	31	49
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	DRD3	24	52
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	HTR7	47	49
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	SIGMAR1	24	45
C[S@@](=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408187	DE	On-Demand	Anodyne	BCL2A1	62	47
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	HTR1A	62	52
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	DRD2	45	47
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	DRD4	44	36
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	ADRA1D	20	44
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	HTR2A	58	52
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	HTR2C	28	52
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	SLC6A4	17	45
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	DRD3	50	46
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	HTR4	19	41
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	HTR7	74	57
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	SIGMAR1	28	44
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	HTR6	15	52
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408190	GF	On-Demand	Anodyne	BCL2A1	48	43
Cc1nonc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408193	EG	On-Demand	Anodyne	DRD4	32	54
Cc1nonc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408193	EG	On-Demand	Anodyne	BCL2A1	46	40
CCOC(=O)C1=C(CN2CCC(C3CCC3)CC2)NC(=O)N[C@H]1c1ccco1	ZINC000852408202	GF	On-Demand	Anodyne	SLC27A4	58	31
CCOC(=O)C1=C(CN2CCC(C3CCC3)CC2)NC(=O)N[C@@H]1c1ccco1	ZINC000852408203	GF	On-Demand	Anodyne	SLC27A4	58	31
C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408205	EE	On-Demand	Mild	BCL2A1	42	34
C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408205	EE	On-Demand	Mild	RPA1	79	36
C#CCNC(=O)[C@H](C)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408206	EE	On-Demand	Mild	BCL2A1	42	34
C#CCNC(=O)[C@H](C)N1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408206	EE	On-Demand	Mild	RPA1	79	36
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(C2CCC2)CC1	ZINC000852408216	EE	On-Demand	Reactive	DRD4	18	45
Cc1ccccc1CC(=O)NNC(=O)CN1CCC(C2CCC2)CC1	ZINC000852408216	EE	On-Demand	Reactive	BIRC2	44	42
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	HTR1A	22	41
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	DRD2	20	45
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	DRD4	44	35
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	HTR2A	28	42
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	HTR2C	25	42
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	DRD3	32	45
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	HTR7	20	41
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	BCL2A1	54	40
C#CCNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408331	ED	On-Demand	Mild	RPA1	89	37
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NNC(=O)C1CC1	ZINC000852408333	FD	On-Demand	Reactive	HTR1A	19	41
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NNC(=O)C1CC1	ZINC000852408333	FD	On-Demand	Reactive	DRD3	20	50
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NNC(=O)C1CC1	ZINC000852408333	FD	On-Demand	Reactive	SIGMAR1	15	51
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NNC(=O)C1CC1	ZINC000852408333	FD	On-Demand	Reactive	MAPK1	21	40
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NNC(=O)C1CC1	ZINC000852408333	FD	On-Demand	Reactive	BCL2A1	47	39
O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)NNC(=O)C1CC1	ZINC000852408333	FD	On-Demand	Reactive	RPA1	70	37
NC(=O)c1ccccc1NC(=O)CN1CCC(C2CCC2)CC1	ZINC000852408348	DE	On-Demand	Anodyne	DRD4	17	44
NC(=O)c1ccccc1NC(=O)CN1CCC(C2CCC2)CC1	ZINC000852408348	DE	On-Demand	Anodyne	PARP1	24	44
N#CCn1c(CN2CCC(C3CCC3)CC2)nc2ccccc2c1=O	ZINC000852408351	EF	On-Demand	Mild	HIF1A	19	41
CC(=O)Oc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852408352	CH	On-Demand	Anodyne	DRD2	15	43
CC(=O)Oc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852408352	CH	On-Demand	Anodyne	DRD4	41	42
CC(=O)Oc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852408352	CH	On-Demand	Anodyne	ACHE	40	42
CC(=O)Oc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852408352	CH	On-Demand	Anodyne	LTA4H	51	44
CC(=O)Oc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852408352	CH	On-Demand	Anodyne	HRH3	35	47
CC(=O)Oc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852408352	CH	On-Demand	Anodyne	SIGMAR1	57	48
CC(=O)Oc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852408352	CH	On-Demand	Anodyne	CCR3	35	41
CC(=O)Oc1ccc(CN2CCC(C3CCC3)CC2)cc1	ZINC000852408352	CH	On-Demand	Anodyne	MCHR1	41	43
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cn1	ZINC000852408353	FG	On-Demand	Anodyne	DRD4	19	41
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cn1	ZINC000852408354	FG	On-Demand	Anodyne	DRD4	19	41
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852408358	FG	On-Demand	Anodyne	HTR1A	19	42
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852408358	FG	On-Demand	Anodyne	DRD2	18	45
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852408358	FG	On-Demand	Anodyne	DRD4	43	45
O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852408358	FG	On-Demand	Anodyne	DRD3	20	45
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852408359	FG	On-Demand	Anodyne	HTR1A	19	42
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852408359	FG	On-Demand	Anodyne	DRD2	18	45
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852408359	FG	On-Demand	Anodyne	DRD4	43	45
O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1	ZINC000852408359	FG	On-Demand	Anodyne	DRD3	20	45
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408360	FF	On-Demand	Anodyne	HTR1A	36	50
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408360	FF	On-Demand	Anodyne	DRD2	21	49
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408360	FF	On-Demand	Anodyne	HTR2A	34	48
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408360	FF	On-Demand	Anodyne	HTR2C	15	48
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408360	FF	On-Demand	Anodyne	DRD3	21	47
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408360	FF	On-Demand	Anodyne	HTR7	48	51
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408360	FF	On-Demand	Anodyne	SIGMAR1	20	45
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408360	FF	On-Demand	Anodyne	BCL2A1	58	45
N#C[C@@H](C(=O)CN1CCC(C2CCC2)CC1)c1nc(O)c2ccccc2n1	ZINC000852408370	FG	On-Demand	Mild	TNKS	52	33
N#C[C@H](C(=O)CN1CCC(C2CCC2)CC1)c1nc(O)c2ccccc2n1	ZINC000852408371	FG	On-Demand	Mild	TNKS	52	33
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408386	GE	On-Demand	Anodyne	HTR1A	35	41
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408386	GE	On-Demand	Anodyne	DRD2	21	49
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408386	GE	On-Demand	Anodyne	DRD4	36	47
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408386	GE	On-Demand	Anodyne	HTR2A	24	41
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408386	GE	On-Demand	Anodyne	DRD3	25	49
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408386	GE	On-Demand	Anodyne	HTR7	33	41
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408386	GE	On-Demand	Anodyne	BCL2A1	40	38
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408386	GE	On-Demand	Anodyne	RPA1	41	38
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408387	GE	On-Demand	Anodyne	HTR1A	35	41
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408387	GE	On-Demand	Anodyne	DRD2	21	49
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408387	GE	On-Demand	Anodyne	DRD4	36	47
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408387	GE	On-Demand	Anodyne	HTR2A	24	41
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408387	GE	On-Demand	Anodyne	DRD3	25	49
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408387	GE	On-Demand	Anodyne	HTR7	33	41
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408387	GE	On-Demand	Anodyne	BCL2A1	40	38
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1	ZINC000852408387	GE	On-Demand	Anodyne	RPA1	41	38
O=S(=O)(CCN1CCC(C2CCC2)CC1)Cc1ccccc1	ZINC000852408392	DG	On-Demand	Anodyne	SIGMAR1	61	48
CS(=O)(=O)c1cccc(NC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408405	FF	On-Demand	Anodyne	DRD4	15	52
CS(=O)(=O)c1cccc(NC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408405	FF	On-Demand	Anodyne	CCR3	35	48
CS(=O)(=O)c1cccc(NC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408405	FF	On-Demand	Anodyne	ST14	45	38
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	HTR1A	74	49
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	DRD2	55	56
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	DRD1	20	41
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	DRD4	44	36
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	ADRA1D	17	44
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	HTR2A	60	49
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	HTR2C	26	49
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	SLC6A4	18	45
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	DRD3	66	56
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	HTR4	24	45
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	HTR7	80	52
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	SIGMAR1	27	44
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408414	GE	On-Demand	Anodyne	BCL2A1	42	45
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	HTR1A	50	53
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	DRD2	34	50
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	DRD1	15	45
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	DRD4	53	53
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	HTR2A	35	47
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	DRD3	34	53
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	HTR7	51	47
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	SIGMAR1	27	51
FCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000852408455	CG	On-Demand	Anodyne	BCL2A1	61	48
O=C1CC[C@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)O1	ZINC000852408466	EF	On-Demand	Anodyne	HTR1A	15	45
O=C1CC[C@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)O1	ZINC000852408466	EF	On-Demand	Anodyne	DRD4	23	50
O=C1CC[C@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)O1	ZINC000852408466	EF	On-Demand	Anodyne	BCL2A1	58	42
O=C1CC[C@@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)O1	ZINC000852408468	EF	On-Demand	Anodyne	HTR1A	15	45
O=C1CC[C@@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)O1	ZINC000852408468	EF	On-Demand	Anodyne	DRD4	23	50
O=C1CC[C@@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)O1	ZINC000852408468	EF	On-Demand	Anodyne	BCL2A1	58	42
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	CHRM2	17	47
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	DRD4	29	42
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	ACHE	29	42
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	LTA4H	22	43
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	HRH3	51	57
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	SIGMAR1	42	46
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	PREP	23	41
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	LSS	21	49
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	CXCR3	19	42
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	MLYCD	18	41
O=C(c1ccc(CN2CCC(C3CCC3)CC2)cc1)N1CCCC1	ZINC000852408474	EH	On-Demand	Anodyne	L3MBTL3	112	69
Cc1cccc(C(=O)NNC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408476	EE	On-Demand	Reactive	DRD4	31	50
Cc1cccc(C(=O)NNC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408476	EE	On-Demand	Reactive	CCR2	17	41
Cc1cccc(C(=O)NNC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408476	EE	On-Demand	Reactive	KCNK3	61	43
Cc1cccc(C(=O)NNC(=O)CN2CCC(C3CCC3)CC2)c1	ZINC000852408476	EE	On-Demand	Reactive	KCNK9	48	43
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	HTR1A	20	42
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	DRD2	21	46
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	DRD4	48	46
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	HTR2A	15	40
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	HRH1	17	41
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	DRD3	22	46
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	HRH3	17	45
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	SIGMAR1	26	43
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	CCR3	21	41
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	CACNA1G	17	45
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	ZINC000852408482	GG	On-Demand	Anodyne	RPA1	41	33
O=C(CN1CCC(C2CCC2)CC1)Nc1ccc(O)cc1	ZINC000852408489	CF	On-Demand	Anodyne	EPHX2	15	41
N#CCCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408494	EE	On-Demand	Mild	HTR1A	15	44
N#CCCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408494	EE	On-Demand	Mild	DRD2	21	44
N#CCCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408494	EE	On-Demand	Mild	CNR1	42	36
N#CCCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408494	EE	On-Demand	Mild	DRD4	44	36
N#CCCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408494	EE	On-Demand	Mild	HTR2A	15	43
N#CCCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408494	EE	On-Demand	Mild	HTR2C	15	43
N#CCCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408494	EE	On-Demand	Mild	DRD3	42	45
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852408511	CC	On-Demand	Anodyne	EPHX2	19	42
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852408511	CC	On-Demand	Anodyne	CALCRL	36	46
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852408512	CC	On-Demand	Anodyne	EPHX2	19	42
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852408512	CC	On-Demand	Anodyne	CALCRL	36	46
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852408513	CC	On-Demand	Anodyne	EPHX2	19	42
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852408513	CC	On-Demand	Anodyne	CALCRL	36	46
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852408514	CC	On-Demand	Anodyne	EPHX2	19	42
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852408514	CC	On-Demand	Anodyne	CALCRL	36	46
O=C1NCC[C@H]1NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1	ZINC000852408527	FD	On-Demand	Anodyne	CHRNA4	19	44
O=C1NCC[C@@H]1NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1	ZINC000852408528	FD	On-Demand	Anodyne	CHRNA4	19	44
CO[C@]1(CO)CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852408529	DB	On-Demand	Anodyne	SLC12A5	44	33
CO[C@]1(CO)CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852408531	DB	On-Demand	Anodyne	SLC12A5	44	33
NC(=O)c1cc(OC2CCN(C(=O)N[C@@H]3CCNC3=O)CC2)ccn1	ZINC000852408569	EB	On-Demand	Anodyne	EPHX2	17	42
NC(=O)c1cc(OC2CCN(C(=O)N[C@H]3CCNC3=O)CC2)ccn1	ZINC000852408570	EB	On-Demand	Anodyne	EPHX2	17	42
O=C(NC1CCC(N2CCCCC2)CC1)N[C@@H]1CCNC1=O	ZINC000852408571	DC	On-Demand	Anodyne	L3MBTL3	44	35
O=C(NC1CCC(N2CCCCC2)CC1)N[C@H]1CCNC1=O	ZINC000852408572	DC	On-Demand	Anodyne	L3MBTL3	44	35
O=C1NCC[C@H]1NC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852408651	ED	On-Demand	Anodyne	EPHX2	19	44
O=C1NCC[C@@H]1NC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852408652	ED	On-Demand	Anodyne	EPHX2	19	44
C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408657	EE	On-Demand	Mild	CNR1	58	39
C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408657	EE	On-Demand	Mild	DRD3	20	41
C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408657	EE	On-Demand	Mild	MC4R	80	39
C#CCNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408657	EE	On-Demand	Mild	NPY2R	99	38
C#CCNC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408658	EE	On-Demand	Mild	CNR1	58	39
C#CCNC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408658	EE	On-Demand	Mild	DRD3	20	41
C#CCNC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408658	EE	On-Demand	Mild	MC4R	80	39
C#CCNC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408658	EE	On-Demand	Mild	NPY2R	99	38
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)N[C@H]3CCNC3=O)CC2)C1	ZINC000852408701	GD	On-Demand	Anodyne	GPR119	22	44
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)N[C@H]3CCNC3=O)CC2)C1	ZINC000852408702	GD	On-Demand	Anodyne	GPR119	22	44
CC(C)(C)OC(=O)N1CC[C@@H](C2CCN(C(=O)N[C@@H]3CCNC3=O)CC2)C1	ZINC000852408703	GD	On-Demand	Anodyne	GPR119	22	44
CC(C)(C)OC(=O)N1CC[C@H](C2CCN(C(=O)N[C@@H]3CCNC3=O)CC2)C1	ZINC000852408704	GD	On-Demand	Anodyne	GPR119	22	44
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852408739	DC	On-Demand	Anodyne	OPRM1	17	42
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852408739	DC	On-Demand	Anodyne	OPRD1	17	42
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852408740	DC	On-Demand	Anodyne	OPRM1	17	42
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852408740	DC	On-Demand	Anodyne	OPRD1	17	42
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852408741	DC	On-Demand	Anodyne	OPRM1	17	42
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCNC1=O	ZINC000852408741	DC	On-Demand	Anodyne	OPRD1	17	42
O=C(NC[C@@H](O)c1cccc(Cl)c1)N[C@@H]1CCNC1=O	ZINC000852408744	CC	On-Demand	Anodyne	ADRB3	43	40
O=C(NC[C@@H](O)c1cccc(Cl)c1)N[C@@H]1CCNC1=O	ZINC000852408744	CC	On-Demand	Anodyne	CYP3A4	46	34
O=C(NC[C@H](O)c1cccc(Cl)c1)N[C@@H]1CCNC1=O	ZINC000852408745	CC	On-Demand	Anodyne	ADRB3	43	40
O=C(NC[C@H](O)c1cccc(Cl)c1)N[C@@H]1CCNC1=O	ZINC000852408745	CC	On-Demand	Anodyne	CYP3A4	46	34
O=C(NC[C@H](O)c1cccc(Cl)c1)N[C@H]1CCNC1=O	ZINC000852408746	CC	On-Demand	Anodyne	ADRB3	43	40
O=C(NC[C@H](O)c1cccc(Cl)c1)N[C@H]1CCNC1=O	ZINC000852408746	CC	On-Demand	Anodyne	CYP3A4	46	34
O=C(NC[C@@H](O)c1cccc(Cl)c1)N[C@H]1CCNC1=O	ZINC000852408747	CC	On-Demand	Anodyne	ADRB3	43	40
O=C(NC[C@@H](O)c1cccc(Cl)c1)N[C@H]1CCNC1=O	ZINC000852408747	CC	On-Demand	Anodyne	CYP3A4	46	34
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	ZINC000852408752	DD	On-Demand	Reactive	SLC6A1	97	38
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1	ZINC000852408753	DD	On-Demand	Reactive	SLC6A1	97	38
O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408773	FG	On-Demand	Anodyne	HTR1A	24	42
O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408773	FG	On-Demand	Anodyne	DRD2	25	45
O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408773	FG	On-Demand	Anodyne	DRD4	45	45
O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408773	FG	On-Demand	Anodyne	HTR2A	18	42
O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408773	FG	On-Demand	Anodyne	DRD3	28	45
O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408773	FG	On-Demand	Anodyne	NPY2R	20	42
O[C@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408774	FG	On-Demand	Anodyne	HTR1A	24	42
O[C@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408774	FG	On-Demand	Anodyne	DRD2	25	45
O[C@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408774	FG	On-Demand	Anodyne	DRD4	45	45
O[C@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408774	FG	On-Demand	Anodyne	HTR2A	18	42
O[C@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408774	FG	On-Demand	Anodyne	DRD3	28	45
O[C@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1	ZINC000852408774	FG	On-Demand	Anodyne	NPY2R	20	42
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	HTR1A	19	41
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	DRD2	27	48
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	CNR1	53	43
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	DRD4	39	46
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	ADRA1D	17	41
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	HTR2A	15	40
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	DRD3	47	48
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	NPY2R	35	40
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NNC(=O)C1CC1	ZINC000852408775	FD	On-Demand	Reactive	EPHX2	15	40
C=CC[C@H]1CCCN(CCCON2C(=O)c3ccccc3C2=O)C1	ZINC000852408782	EF	On-Demand	Mild	SLC6A1	72	36
C=CC[C@@H]1CCCN(CCCON2C(=O)c3ccccc3C2=O)C1	ZINC000852408783	EF	On-Demand	Mild	SLC6A1	72	36
O=C1NCC[C@@H]1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000852408784	ED	On-Demand	Anodyne	CALCRL	35	42
O=C1NCC[C@H]1NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000852408785	ED	On-Demand	Anodyne	CALCRL	35	42
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852408798	EC	On-Demand	Reactive	BOTA	24	43
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)N[C@H]1CCNC1=O	ZINC000852408799	EC	On-Demand	Reactive	BOTA	24	43
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852408804	CB	On-Demand	Reactive	LUXR	42	38
O=C(Cc1ccc(F)cc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852408805	CB	On-Demand	Reactive	LUXR	42	38
CC(C)(C)OC(=O)NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852408808	EC	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1	ZINC000852408809	EC	On-Demand	Anodyne	CACNA1I	40	32
C=CC[C@H]1CCCN(CC(=O)NC(=O)c2ccc(OC)cc2)C1	ZINC000852408810	DE	On-Demand	Mild	MCHR1	15	40
C=CC[C@@H]1CCCN(CC(=O)NC(=O)c2ccc(OC)cc2)C1	ZINC000852408811	DE	On-Demand	Mild	MCHR1	15	40
C=CC[C@H]1CCCN(C[C@@](C)(O)c2ccccc2)C1	ZINC000852408814	CG	On-Demand	Mild	SLC6A1	79	35
C=CC[C@@H]1CCCN(C[C@@](C)(O)c2ccccc2)C1	ZINC000852408815	CG	On-Demand	Mild	SLC6A1	79	35
C=CC[C@H]1CCCN(C[C@](C)(O)c2ccccc2)C1	ZINC000852408816	CG	On-Demand	Mild	SLC6A1	79	35
C=CC[C@@H]1CCCN(C[C@](C)(O)c2ccccc2)C1	ZINC000852408817	CG	On-Demand	Mild	SLC6A1	79	35
CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408826	FE	On-Demand	Reactive	CNR1	40	30
CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408826	FE	On-Demand	Reactive	MC4R	95	40
CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408826	FE	On-Demand	Reactive	NPY2R	76	38
CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408827	FE	On-Demand	Reactive	CNR1	40	30
CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408827	FE	On-Demand	Reactive	MC4R	95	40
CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408827	FE	On-Demand	Reactive	NPY2R	76	38
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	ZINC000852408839	DD	On-Demand	Reactive	CCR3	86	38
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1	ZINC000852408840	DD	On-Demand	Reactive	CCR3	86	38
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852408842	DC	On-Demand	Anodyne	OPRM1	17	42
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCNC1=O	ZINC000852408842	DC	On-Demand	Anodyne	OPRD1	17	42
O=C(Cc1ccc(Cl)cc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852408857	DC	On-Demand	Reactive	AVPR1A	18	40
O=C(Cc1ccc(Cl)cc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852408857	DC	On-Demand	Reactive	GRIN1	15	42
O=C(Cc1ccc(Cl)cc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852408858	DC	On-Demand	Reactive	AVPR1A	18	40
O=C(Cc1ccc(Cl)cc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852408858	DC	On-Demand	Reactive	GRIN1	15	42
O=C1OCCN1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408870	EF	On-Demand	Anodyne	HTR1A	30	53
O=C1OCCN1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408870	EF	On-Demand	Anodyne	DRD2	24	51
O=C1OCCN1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408870	EF	On-Demand	Anodyne	ADRA1D	31	53
O=C1OCCN1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408870	EF	On-Demand	Anodyne	ADRA1A	18	50
O=C1OCCN1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408870	EF	On-Demand	Anodyne	ADRA1B	24	50
O=C1OCCN1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408870	EF	On-Demand	Anodyne	DRD3	21	48
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	HTR1A	54	51
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	DRD2	50	50
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	CNR1	55	34
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	DRD4	47	44
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	ADRA1D	28	51
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	HTR2A	35	44
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	HTR2C	20	44
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	ADRA1A	19	46
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	ADRA1B	23	46
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	DRD3	60	50
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	HTR7	45	43
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	MC4R	51	45
O=C(CCN1CCN(c2ccc(Cl)cc2Cl)CC1)N1CCCC1	ZINC000852408904	FG	On-Demand	Anodyne	ALPL	20	40
C=CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1	ZINC000852408906	DE	On-Demand	Mild	SLC6A1	55	32
C=CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1	ZINC000852408908	DE	On-Demand	Mild	SLC6A1	55	32
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408924	GE	On-Demand	Reactive	DRD2	18	47
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408924	GE	On-Demand	Reactive	CNR1	53	41
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408924	GE	On-Demand	Reactive	DRD3	27	42
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408924	GE	On-Demand	Reactive	MC4R	41	38
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408924	GE	On-Demand	Reactive	NPY2R	49	51
C=CC[C@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852408926	CF	On-Demand	Mild	SLC6A1	70	35
C=CC[C@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852408926	CF	On-Demand	Mild	CELA1	18	41
C=CC[C@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852408926	CF	On-Demand	Mild	GRIN2B	24	41
C=CC[C@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852408926	CF	On-Demand	Mild	PREP	38	41
C=CC[C@@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852408928	CF	On-Demand	Mild	SLC6A1	70	35
C=CC[C@@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852408928	CF	On-Demand	Mild	CELA1	18	41
C=CC[C@@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852408928	CF	On-Demand	Mild	GRIN2B	24	41
C=CC[C@@H]1CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852408928	CF	On-Demand	Mild	PREP	38	41
O=C(COc1ccc(Br)cc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852408954	FC	On-Demand	Reactive	TRAR	47	53
O=C(COc1ccc(Br)cc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852408959	FC	On-Demand	Reactive	TRAR	47	53
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408968	EG	On-Demand	Mild	HTR1A	25	43
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408968	EG	On-Demand	Mild	DRD2	26	42
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408968	EG	On-Demand	Mild	ADRA1D	18	43
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408968	EG	On-Demand	Mild	ADRA1B	15	40
C[C@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408968	EG	On-Demand	Mild	DRD3	22	41
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408970	EG	On-Demand	Mild	HTR1A	25	43
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408970	EG	On-Demand	Mild	DRD2	26	42
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408970	EG	On-Demand	Mild	ADRA1D	18	43
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408970	EG	On-Demand	Mild	ADRA1B	15	40
C[C@@H](C#N)OCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852408970	EG	On-Demand	Mild	DRD3	22	41
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	HTR1A	21	44
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	DRD2	33	44
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	DRD4	53	43
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	DRD3	29	44
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	HRH3	15	42
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	SIGMAR1	19	40
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	CXCR3	32	41
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	MCHR1	18	41
NC(=O)COc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1	ZINC000852409019	GG	On-Demand	Anodyne	CACNA1G	17	42
O=C1NCC[C@H]1NC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852409211	DC	On-Demand	Anodyne	CALCRL	45	45
O=C1NCC[C@@H]1NC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852409212	DC	On-Demand	Anodyne	CALCRL	45	45
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	HTR1A	33	48
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	DRD2	33	47
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	DRD1	34	41
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	ADRA1D	27	48
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	HTR2A	32	44
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	HTR2C	19	44
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	ADRA1A	17	45
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	ADRA1B	22	45
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	DRD3	29	47
CCCS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409282	FF	On-Demand	Anodyne	HTR7	33	45
N#CC1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852409289	DG	On-Demand	Mild	CACNA1I	49	33
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409306	EG	On-Demand	Anodyne	HTR1A	25	48
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409306	EG	On-Demand	Anodyne	DRD2	20	50
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409306	EG	On-Demand	Anodyne	ADRA1D	26	48
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409306	EG	On-Demand	Anodyne	ADRA1A	16	45
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409306	EG	On-Demand	Anodyne	ADRA1B	20	45
O=C1OCC[C@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409306	EG	On-Demand	Anodyne	DRD3	22	50
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409307	EG	On-Demand	Anodyne	HTR1A	25	48
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409307	EG	On-Demand	Anodyne	DRD2	20	50
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409307	EG	On-Demand	Anodyne	ADRA1D	26	48
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409307	EG	On-Demand	Anodyne	ADRA1A	16	45
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409307	EG	On-Demand	Anodyne	ADRA1B	20	45
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409307	EG	On-Demand	Anodyne	DRD3	22	50
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852409318	FF	On-Demand	Anodyne	EPHX2	17	43
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852409318	FF	On-Demand	Anodyne	CACNA1I	50	34
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852409320	GD	On-Demand	Anodyne	EPHX2	22	41
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852409320	GD	On-Demand	Anodyne	RBP4	45	31
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852409321	GD	On-Demand	Anodyne	EPHX2	22	41
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852409321	GD	On-Demand	Anodyne	RBP4	45	31
CN(C)C(=O)OC1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852409323	FG	On-Demand	Anodyne	EPHX2	22	46
CN(C)C(=O)OC1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852409323	FG	On-Demand	Anodyne	CACNA1I	50	34
CO[C@]1(CO)CCCN(CCCC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852409329	FF	On-Demand	Anodyne	EBP	16	43
CO[C@]1(CO)CCCN(CCCC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852409329	FF	On-Demand	Anodyne	GPR119	23	40
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	HTR1A	48	48
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	DRD2	50	48
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	CNR1	47	47
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	DRD4	60	46
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	HTR2A	38	42
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	HTR2C	26	42
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	ADRA1A	24	48
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	DRD3	55	48
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	HRP1_PLAFA	63	36
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	HTR7	46	48
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	MC4R	35	43
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	NPY2R	29	48
O=C(CN1CCN(c2ccc(Cl)cc2Cl)CC1)NCc1ccccn1	ZINC000852409338	GF	On-Demand	Anodyne	SLC27A1	35	41
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852409340	DD	On-Demand	Anodyne	CALCRL	39	42
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852409341	DD	On-Demand	Anodyne	CALCRL	39	42
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852409342	DD	On-Demand	Anodyne	CALCRL	39	42
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852409343	DD	On-Demand	Anodyne	CALCRL	39	42
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852409383	GH	On-Demand	Anodyne	CACNA1I	43	30
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409417	EE	On-Demand	Anodyne	CCR2	65	42
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409417	EE	On-Demand	Anodyne	EPHX2	16	43
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409417	EE	On-Demand	Anodyne	CALCRL	25	43
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409418	EE	On-Demand	Anodyne	CCR2	65	42
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409418	EE	On-Demand	Anodyne	EPHX2	16	43
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409418	EE	On-Demand	Anodyne	CALCRL	25	43
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409419	EE	On-Demand	Anodyne	CCR2	65	42
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409419	EE	On-Demand	Anodyne	EPHX2	16	43
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409419	EE	On-Demand	Anodyne	CALCRL	25	43
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409420	EE	On-Demand	Anodyne	CCR2	65	42
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409420	EE	On-Demand	Anodyne	EPHX2	16	43
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852409420	EE	On-Demand	Anodyne	CALCRL	25	43
CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)N[C@H]3CCNC3=O)CC2)CC1	ZINC000852409435	GD	On-Demand	Anodyne	GPR119	21	43
CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)N[C@@H]3CCNC3=O)CC2)CC1	ZINC000852409436	GD	On-Demand	Anodyne	GPR119	21	43
Cc1cnc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cn1	ZINC000852409437	EG	On-Demand	Anodyne	DRD2	16	43
Cc1cnc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cn1	ZINC000852409437	EG	On-Demand	Anodyne	DRD4	40	43
Cc1cnc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)cn1	ZINC000852409437	EG	On-Demand	Anodyne	DRD3	15	41
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	HTR1A	85	54
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	DRD2	78	56
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	CNR1	54	33
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	DRD1	60	39
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	DRD4	81	46
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	ADRA1D	46	54
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	HTR2A	53	48
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	HTR2C	30	48
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	SLC6A4	21	50
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	ADRA1A	35	48
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	ADRA1B	36	48
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	DRD3	79	56
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	DRD5	23	40
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	HTR7	79	47
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	MC4R	50	38
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	SIGMAR1	18	40
CC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409449	DG	On-Demand	Anodyne	NPY2R	37	42
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	HTR1A	55	48
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	DRD2	40	54
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	DRD1	19	43
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	DRD4	27	40
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	ADRA1D	29	48
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	HTR2A	38	54
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	ADRA1A	23	46
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	ADRA1B	26	46
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	DRD3	39	54
O=C1OCCN1CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409450	FF	On-Demand	Anodyne	HTR7	44	45
O=C(N[C@H]1CCNC1=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409506	EC	On-Demand	Anodyne	ACE	40	45
O=C(N[C@H]1CCNC1=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409506	EC	On-Demand	Anodyne	MME	27	45
O=C(N[C@H]1CCNC1=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409506	EC	On-Demand	Anodyne	XIAP	17	44
O=C(N[C@H]1CCNC1=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409506	EC	On-Demand	Anodyne	BIRC3	18	44
O=C(N[C@H]1CCNC1=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409506	EC	On-Demand	Anodyne	BIRC2	20	44
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@@H]1CCNC1=O	ZINC000852409507	EC	On-Demand	Anodyne	ACE	40	45
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@@H]1CCNC1=O	ZINC000852409507	EC	On-Demand	Anodyne	MME	27	45
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@@H]1CCNC1=O	ZINC000852409507	EC	On-Demand	Anodyne	XIAP	17	44
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@@H]1CCNC1=O	ZINC000852409507	EC	On-Demand	Anodyne	BIRC3	18	44
O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)N[C@@H]1CCNC1=O	ZINC000852409507	EC	On-Demand	Anodyne	BIRC2	20	44
O=C(N[C@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409508	EC	On-Demand	Anodyne	ACE	40	45
O=C(N[C@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409508	EC	On-Demand	Anodyne	MME	27	45
O=C(N[C@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409508	EC	On-Demand	Anodyne	XIAP	17	44
O=C(N[C@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409508	EC	On-Demand	Anodyne	BIRC3	18	44
O=C(N[C@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409508	EC	On-Demand	Anodyne	BIRC2	20	44
O=C(N[C@@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409509	EC	On-Demand	Anodyne	ACE	40	45
O=C(N[C@@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409509	EC	On-Demand	Anodyne	MME	27	45
O=C(N[C@@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409509	EC	On-Demand	Anodyne	XIAP	17	44
O=C(N[C@@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409509	EC	On-Demand	Anodyne	BIRC3	18	44
O=C(N[C@@H]1CCNC1=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852409509	EC	On-Demand	Anodyne	BIRC2	20	44
C#C[C@@H]1CCCN(C(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852409521	DH	On-Demand	Mild	CACNA1I	48	32
C#C[C@H]1CCCN(C(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852409522	DH	On-Demand	Mild	CACNA1I	48	32
CN(C[C@@](C)(O)c1ccccc1)C(=O)NCc1cc(Cl)cc(Cl)c1	ZINC000852409536	FI	On-Demand	Anodyne	PDS	41	34
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409577	EE	On-Demand	Anodyne	EPHX2	17	41
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409577	EE	On-Demand	Anodyne	CALCRL	16	40
O=C1NCC[C@@H]1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409577	EE	On-Demand	Anodyne	TRPM8	50	37
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409578	EE	On-Demand	Anodyne	EPHX2	17	41
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409578	EE	On-Demand	Anodyne	CALCRL	16	40
O=C1NCC[C@H]1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409578	EE	On-Demand	Anodyne	TRPM8	50	37
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409579	EE	On-Demand	Anodyne	EPHX2	17	41
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409579	EE	On-Demand	Anodyne	CALCRL	16	40
O=C1NCC[C@H]1NC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409579	EE	On-Demand	Anodyne	TRPM8	50	37
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409580	EE	On-Demand	Anodyne	EPHX2	17	41
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409580	EE	On-Demand	Anodyne	CALCRL	16	40
O=C1NCC[C@@H]1NC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852409580	EE	On-Demand	Anodyne	TRPM8	50	37
Cn1nccc1[C@@H]1CCCN(C(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852409581	FH	On-Demand	Anodyne	IL2RA	49	31
Cn1nccc1[C@H]1CCCN(C(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852409582	FH	On-Demand	Anodyne	IL2RA	49	31
O=C(NCc1ccccc1O)N[C@@H]1CCNC1=O	ZINC000852409591	BC	On-Demand	Clean	LNPEP	40	32
O=C(NCc1ccccc1O)N[C@H]1CCNC1=O	ZINC000852409592	BC	On-Demand	Clean	LNPEP	40	32
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	ACE	16	41
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	CTRA_BOVIN	53	31
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	TRY1_BOVIN	47	31
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	CTSG	40	31
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	CTSK	21	41
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	CTSL	25	41
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	PREP	34	46
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	CELA2A	40	31
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	TGM2	30	41
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	F13A1	18	41
O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409660	FD	On-Demand	Anodyne	TMPRSS11D	40	37
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	ACE	16	41
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	CTRA_BOVIN	53	31
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	TRY1_BOVIN	47	31
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	CTSG	40	31
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	CTSK	21	41
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	CTSL	25	41
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	PREP	34	46
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	CELA2A	40	31
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	TGM2	30	41
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	F13A1	18	41
O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCNC2=O)C1)OCc1ccccc1	ZINC000852409662	FD	On-Demand	Anodyne	TMPRSS11D	40	37
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)N[C@H]3CCNC3=O)CC2)C1	ZINC000852409668	GD	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)N[C@H]3CCNC3=O)CC2)C1	ZINC000852409669	GD	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)N[C@@H]3CCNC3=O)CC2)C1	ZINC000852409670	GD	On-Demand	Anodyne	GPR119	17	41
CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)N[C@@H]3CCNC3=O)CC2)C1	ZINC000852409671	GD	On-Demand	Anodyne	GPR119	17	41
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	FKBP1A	17	40
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	GRIN2B	56	46
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	CTSB	19	41
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	CTSK	22	41
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	CTSL	29	41
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	PREP	27	44
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	CAPN2	49	37
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	TGM2	29	45
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	NPR	48	31
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	CALCRL	16	43
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	F13A1	25	45
O=C(NCC1CCN(C(=O)N[C@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409672	FD	On-Demand	Anodyne	NAAA	22	42
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	FKBP1A	17	40
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	GRIN2B	56	46
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	CTSB	19	41
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	CTSK	22	41
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	CTSL	29	41
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	PREP	27	44
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	CAPN2	49	37
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	TGM2	29	45
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	NPR	48	31
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	CALCRL	16	43
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	F13A1	25	45
O=C(NCC1CCN(C(=O)N[C@@H]2CCNC2=O)CC1)OCc1ccccc1	ZINC000852409673	FD	On-Demand	Anodyne	NAAA	22	42
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	HTR1A	76	46
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	DRD2	72	46
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	DRD4	47	45
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	ADRA1D	45	44
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	HTR2A	59	47
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	HTR2C	29	47
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	SLC6A4	19	47
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	ADRA1A	40	46
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	ADRA1B	35	41
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	DRD3	74	46
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	HRP1_PLAFA	44	33
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	HTR7	69	44
COCCS(=O)(=O)CCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409679	GF	On-Demand	Anodyne	SIGMAR1	15	42
O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCNC1=O	ZINC000852409690	DD	On-Demand	Anodyne	HTR1D	49	44
O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCNC1=O	ZINC000852409690	DD	On-Demand	Anodyne	HTR1B	40	44
O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCNC1=O	ZINC000852409690	DD	On-Demand	Anodyne	MPO	51	37
O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCNC1=O	ZINC000852409690	DD	On-Demand	Anodyne	MAPT	16	47
O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCNC1=O	ZINC000852409691	DD	On-Demand	Anodyne	HTR1D	49	44
O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCNC1=O	ZINC000852409691	DD	On-Demand	Anodyne	HTR1B	40	44
O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCNC1=O	ZINC000852409691	DD	On-Demand	Anodyne	MPO	51	37
O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCNC1=O	ZINC000852409691	DD	On-Demand	Anodyne	MAPT	16	47
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852409734	FD	On-Demand	Anodyne	GPR119	34	45
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852409735	FD	On-Demand	Anodyne	GPR119	34	45
O=C1NCC[C@H]1NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852409759	DC	On-Demand	Anodyne	EPHX2	23	45
O=C1NCC[C@@H]1NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852409760	DC	On-Demand	Anodyne	EPHX2	23	45
O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)N[C@@H]1CCNC1=O	ZINC000852409770	FD	On-Demand	Anodyne	ADRB3	28	40
O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)N[C@@H]1CCNC1=O	ZINC000852409771	FD	On-Demand	Anodyne	ADRB3	28	40
O=C(NC[C@H](O)c1cccc(OCc2ccccc2)c1)N[C@H]1CCNC1=O	ZINC000852409772	FD	On-Demand	Anodyne	ADRB3	28	40
O=C(NC[C@@H](O)c1cccc(OCc2ccccc2)c1)N[C@H]1CCNC1=O	ZINC000852409773	FD	On-Demand	Anodyne	ADRB3	28	40
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	HTR1A	36	52
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	DRD2	33	46
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	DRD4	33	46
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	ADRA1D	28	52
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	HTR2A	32	45
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	HTR2C	16	44
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	ADRA1A	18	49
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	ADRA1B	23	49
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	DRD3	35	46
NS(=O)(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409794	ED	On-Demand	Anodyne	HTR7	33	43
C#CC1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852409891	DH	On-Demand	Mild	EPHX2	17	48
C#CC1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852409891	DH	On-Demand	Mild	CACNA1I	50	33
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	HTR1A	27	43
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	DRD2	38	49
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	CNR1	58	38
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	DRD4	43	49
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	ADRA1D	18	41
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	HTR2A	27	44
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	HTR2C	26	44
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	ADRA1A	16	43
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	DRD3	61	47
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	MC4R	45	37
C#CCNC(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852409944	ED	On-Demand	Mild	ALPL	42	34
C#CCNC(=O)C1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852409969	FF	On-Demand	Mild	EPHX2	26	49
C#CCNC(=O)C1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852409969	FF	On-Demand	Mild	CACNA1I	55	35
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@H]3CCNC3=O)C2)CC1	ZINC000852409982	GD	On-Demand	Anodyne	GPR119	28	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@H]3CCNC3=O)C2)CC1	ZINC000852409983	GD	On-Demand	Anodyne	GPR119	28	46
CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)N[C@@H]3CCNC3=O)C2)CC1	ZINC000852409984	GD	On-Demand	Anodyne	GPR119	28	46
CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)N[C@@H]3CCNC3=O)C2)CC1	ZINC000852409985	GD	On-Demand	Anodyne	GPR119	28	46
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852409996	EE	On-Demand	Reactive	SLC6A1	25	41
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852409996	EE	On-Demand	Reactive	MCHR1	16	42
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852409996	EE	On-Demand	Reactive	CACNA1I	57	43
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852409997	EE	On-Demand	Reactive	SLC6A1	25	41
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852409997	EE	On-Demand	Reactive	MCHR1	16	42
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852409997	EE	On-Demand	Reactive	CACNA1I	57	43
O=C1NCC[C@H]1NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1	ZINC000852410004	ED	On-Demand	Anodyne	LTA4H	17	54
O=C1NCC[C@H]1NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1	ZINC000852410004	ED	On-Demand	Anodyne	CHRNA10	55	48
O=C1NCC[C@H]1NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1	ZINC000852410004	ED	On-Demand	Anodyne	TRAR	26	40
C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccnc2Cl)C1	ZINC000852410041	DG	On-Demand	Mild	G2YM83_BOTF4	65	33
C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2cccnc2Cl)C1	ZINC000852410042	DG	On-Demand	Mild	G2YM83_BOTF4	65	33
C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccnc2Cl)C1	ZINC000852410043	DG	On-Demand	Mild	G2YM83_BOTF4	65	33
C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccnc2Cl)C1	ZINC000852410044	DG	On-Demand	Mild	G2YM83_BOTF4	65	33
CCCCCCCCCN(C)C(=O)N[C@@H]1CCNC1=O	ZINC000852410067	CE	On-Demand	Mild	LASR	57	36
CCCCCCCCCN(C)C(=O)N[C@H]1CCNC1=O	ZINC000852410068	CE	On-Demand	Mild	LASR	57	36
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1	ZINC000852410086	FD	On-Demand	Reactive	ENPP1	44	30
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1	ZINC000852410086	FD	On-Demand	Reactive	ACKR3	54	36
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1	ZINC000852410087	FD	On-Demand	Reactive	ENPP1	44	30
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1	ZINC000852410087	FD	On-Demand	Reactive	ACKR3	54	36
C=CC[C@@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852410096	CG	On-Demand	Mild	HSD17B3	30	46
C=CC[C@H]1CCCN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852410097	CG	On-Demand	Mild	HSD17B3	30	46
O=C1NCC[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852410105	EC	On-Demand	Bother	SSTR1	43	42
O=C1NCC[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852410105	EC	On-Demand	Bother	SLC27A4	42	31
O=C1NCC[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852410106	EC	On-Demand	Bother	SSTR1	43	42
O=C1NCC[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852410106	EC	On-Demand	Bother	SLC27A4	42	31
C=CC[C@H]1CCCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000852410150	FG	On-Demand	Mild	SLC6A1	84	34
C=CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1	ZINC000852410151	FG	On-Demand	Mild	SLC6A1	84	34
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	ZINC000852410160	ED	On-Demand	Reactive	CCR3	16	42
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1	ZINC000852410161	ED	On-Demand	Reactive	CCR3	16	42
C=CC[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)NC(C)C)C1	ZINC000852410162	EG	On-Demand	Mild	SLC6A1	56	32
C=CC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)NC(C)C)C1	ZINC000852410163	EG	On-Demand	Mild	SLC6A1	56	32
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCNC2=O)c1	ZINC000852410171	CB	On-Demand	Anodyne	MTNR1A	25	40
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCNC2=O)c1	ZINC000852410171	CB	On-Demand	Anodyne	MTNR1B	28	40
O=C1CC[C@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)O1	ZINC000852410174	EF	On-Demand	Anodyne	ADRA1D	21	44
O=C1CC[C@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)O1	ZINC000852410174	EF	On-Demand	Anodyne	ADRA1B	18	43
O=C1CC[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)O1	ZINC000852410175	EF	On-Demand	Anodyne	ADRA1D	21	44
O=C1CC[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)O1	ZINC000852410175	EF	On-Demand	Anodyne	ADRA1B	18	43
C=CC[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852410198	CG	On-Demand	Mild	SLC6A3	21	40
C=CC[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852410198	CG	On-Demand	Mild	CCR3	41	32
C=CC[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852410199	CG	On-Demand	Mild	SLC6A3	21	40
C=CC[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852410199	CG	On-Demand	Mild	CCR3	41	32
C=CC[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852410200	CG	On-Demand	Mild	SLC6A3	21	40
C=CC[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852410200	CG	On-Demand	Mild	CCR3	41	32
C=CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852410201	CG	On-Demand	Mild	SLC6A3	21	40
C=CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852410201	CG	On-Demand	Mild	CCR3	41	32
O=C1NCC[C@@H]1NC(=O)N1CCC(CCc2ccccc2)CC1	ZINC000852410218	DD	On-Demand	Anodyne	SLC18A2	40	35
O=C1NCC[C@@H]1NC(=O)N1CCC(CCc2ccccc2)CC1	ZINC000852410218	DD	On-Demand	Anodyne	GRIN2B	55	44
O=C1NCC[C@@H]1NC(=O)N1CCC(CCc2ccccc2)CC1	ZINC000852410218	DD	On-Demand	Anodyne	CALCRL	36	46
O=C1NCC[C@H]1NC(=O)N1CCC(CCc2ccccc2)CC1	ZINC000852410219	DD	On-Demand	Anodyne	SLC18A2	40	35
O=C1NCC[C@H]1NC(=O)N1CCC(CCc2ccccc2)CC1	ZINC000852410219	DD	On-Demand	Anodyne	GRIN2B	55	44
O=C1NCC[C@H]1NC(=O)N1CCC(CCc2ccccc2)CC1	ZINC000852410219	DD	On-Demand	Anodyne	CALCRL	36	46
O=C(NCCNS(=O)(=O)Cc1ccccc1)N[C@@H]1CCNC1=O	ZINC000852410224	EB	On-Demand	Anodyne	PLG	59	34
O=C(NCCNS(=O)(=O)Cc1ccccc1)N[C@@H]1CCNC1=O	ZINC000852410224	EB	On-Demand	Anodyne	TRYP_PIG	47	32
O=C(NCCNS(=O)(=O)Cc1ccccc1)N[C@H]1CCNC1=O	ZINC000852410225	EB	On-Demand	Anodyne	PLG	59	34
O=C(NCCNS(=O)(=O)Cc1ccccc1)N[C@H]1CCNC1=O	ZINC000852410225	EB	On-Demand	Anodyne	TRYP_PIG	47	32
C=CC[C@H]1CCCN(Cc2ccc(OC(C)=O)cc2)C1	ZINC000852410228	CG	On-Demand	Mild	SLC6A1	49	31
C=CC[C@H]1CCCN(Cc2ccc(OC(C)=O)cc2)C1	ZINC000852410228	CG	On-Demand	Mild	HRH3	20	40
C=CC[C@H]1CCCN(Cc2ccc(OC(C)=O)cc2)C1	ZINC000852410228	CG	On-Demand	Mild	SIGMAR1	21	41
C=CC[C@@H]1CCCN(Cc2ccc(OC(C)=O)cc2)C1	ZINC000852410229	CG	On-Demand	Mild	SLC6A1	49	31
C=CC[C@@H]1CCCN(Cc2ccc(OC(C)=O)cc2)C1	ZINC000852410229	CG	On-Demand	Mild	HRH3	20	40
C=CC[C@@H]1CCCN(Cc2ccc(OC(C)=O)cc2)C1	ZINC000852410229	CG	On-Demand	Mild	SIGMAR1	21	41
O=C1O[C@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CCC2	ZINC000852410232	FH	On-Demand	Anodyne	ADRA1D	29	47
O=C1O[C@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CCC2	ZINC000852410232	FH	On-Demand	Anodyne	ADRA1A	16	43
O=C1O[C@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CCC2	ZINC000852410232	FH	On-Demand	Anodyne	ADRA1B	23	43
O=C1O[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CCC2	ZINC000852410233	FH	On-Demand	Anodyne	ADRA1D	29	47
O=C1O[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CCC2	ZINC000852410233	FH	On-Demand	Anodyne	ADRA1A	16	43
O=C1O[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CCC2	ZINC000852410233	FH	On-Demand	Anodyne	ADRA1B	23	43
C=CC[C@H]1CCCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	ZINC000852410254	ED	On-Demand	Reactive	SLC6A1	60	35
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)Cc2ccccc2C)C1	ZINC000852410255	ED	On-Demand	Reactive	SLC6A1	60	35
C=CC[C@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000852410293	FI	On-Demand	Reactive	SLC6A1	94	36
CO[C@]1(CO)CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852410323	FB	On-Demand	Reactive	CACNA1C	42	34
CO[C@]1(CO)CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852410323	FB	On-Demand	Reactive	CACNA1D	61	34
COc1ccc2c(CN3CCC[C@@](CO)(OC)C3)cc(=O)oc2c1	ZINC000852410341	ED	On-Demand	Anodyne	CYP11B1	17	41
COc1ccc2c(CN3CCC[C@@](CO)(OC)C3)cc(=O)oc2c1	ZINC000852410341	ED	On-Demand	Anodyne	MAOB	20	40
COc1ccc2c(CN3CCC[C@](CO)(OC)C3)cc(=O)oc2c1	ZINC000852410342	ED	On-Demand	Anodyne	CYP11B1	17	41
COc1ccc2c(CN3CCC[C@](CO)(OC)C3)cc(=O)oc2c1	ZINC000852410342	ED	On-Demand	Anodyne	MAOB	20	40
CO[C@]1(CO)CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852410344	ED	On-Demand	Anodyne	HRH3	16	50
CO[C@]1(CO)CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852410344	ED	On-Demand	Anodyne	L3MBTL3	52	45
CO[C@]1(CO)CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852410346	FE	On-Demand	Anodyne	HTR1A	24	49
CO[C@]1(CO)CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852410346	FE	On-Demand	Anodyne	HTR7	30	47
CO[C@]1(CO)CCCN(CCCCCCN2C(=O)c3ccccc3C2=O)C1	ZINC000852410346	FE	On-Demand	Anodyne	EBP	27	41
C=CC[C@@H]1CCCN(CCP(=O)(c2ccccc2)c2ccccc2)C1	ZINC000852410347	FI	On-Demand	Reactive	SLC6A1	94	36
N#Cc1cccc([C@H]2CN(C(=O)NCc3cc(Cl)cc(Cl)c3)CCO2)c1	ZINC000852410371	GI	On-Demand	Mild	MCHR1	20	43
N#Cc1cccc([C@@H]2CN(C(=O)NCc3cc(Cl)cc(Cl)c3)CCO2)c1	ZINC000852410372	GI	On-Demand	Mild	MCHR1	20	43
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852410386	CB	On-Demand	Reactive	GRIN2B	15	46
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852410386	CB	On-Demand	Reactive	NAAA	39	47
O=C(CCc1ccccc1)NNC(=O)N[C@@H]1CCNC1=O	ZINC000852410386	CB	On-Demand	Reactive	LUXR	44	38
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852410390	CB	On-Demand	Reactive	GRIN2B	15	46
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852410390	CB	On-Demand	Reactive	NAAA	39	47
O=C(CCc1ccccc1)NNC(=O)N[C@H]1CCNC1=O	ZINC000852410390	CB	On-Demand	Reactive	LUXR	44	38
CO[C@]1(CO)CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1	ZINC000852410391	FE	On-Demand	Anodyne	KCNQ2	16	47
CO[C@]1(CO)CCCN([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1	ZINC000852410392	FE	On-Demand	Anodyne	KCNQ2	16	47
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852410400	CB	On-Demand	Anodyne	EPHX2	29	42
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852410404	CB	On-Demand	Anodyne	EPHX2	29	42
O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)C1CC1	ZINC000852410427	DF	On-Demand	Anodyne	ADRA1D	17	42
O[C@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)C1CC1	ZINC000852410428	DF	On-Demand	Anodyne	ADRA1D	17	42
O=C1NCC[C@@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852410429	GD	On-Demand	Anodyne	CCR3	17	40
O=C1NCC[C@@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852410429	GD	On-Demand	Anodyne	FAAH	16	41
O=C1NCC[C@@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852410429	GD	On-Demand	Anodyne	EPHX2	45	40
O=C1NCC[C@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852410430	GD	On-Demand	Anodyne	CCR3	17	40
O=C1NCC[C@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852410430	GD	On-Demand	Anodyne	FAAH	16	41
O=C1NCC[C@H]1NC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852410430	GD	On-Demand	Anodyne	EPHX2	45	40
Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H]1CCNC1=O	ZINC000852410437	CD	On-Demand	Anodyne	LUXR	46	33
Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H]1CCNC1=O	ZINC000852410437	CD	On-Demand	Anodyne	TRAR	50	33
Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H]1CCNC1=O	ZINC000852410438	CD	On-Demand	Anodyne	LUXR	46	33
Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H]1CCNC1=O	ZINC000852410438	CD	On-Demand	Anodyne	TRAR	50	33
CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852410463	GB	On-Demand	Anodyne	EPHX2	17	41
CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852410464	GB	On-Demand	Anodyne	EPHX2	17	41
C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852410469	FG	On-Demand	Mild	STAT6	52	32
C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852410470	FG	On-Demand	Mild	STAT6	52	32
C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852410471	FG	On-Demand	Mild	STAT6	52	32
C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852410472	FG	On-Demand	Mild	STAT6	52	32
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	HTR1A	45	52
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	DRD2	40	48
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	DRD4	40	46
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	ADRA1D	31	52
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	HTR2A	32	47
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	HTR2C	16	44
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	ADRA1A	21	49
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	ADRA1B	25	49
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	DRD3	41	48
C[S@@](=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410484	DE	On-Demand	Anodyne	HTR7	34	46
C=CC[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1	ZINC000852410485	EH	On-Demand	Mild	PRNP	40	40
C=CC[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1	ZINC000852410485	EH	On-Demand	Mild	MAPK1	21	40
C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1	ZINC000852410486	EH	On-Demand	Mild	PRNP	40	40
C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1	ZINC000852410486	EH	On-Demand	Mild	MAPK1	21	40
O=C1NCC[C@H]1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852410487	DD	On-Demand	Anodyne	CALCRL	16	41
O=C1NCC[C@H]1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852410487	DD	On-Demand	Anodyne	BIRC8	44	32
O=C1NCC[C@@H]1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852410488	DD	On-Demand	Anodyne	CALCRL	16	41
O=C1NCC[C@@H]1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852410488	DD	On-Demand	Anodyne	BIRC8	44	32
O=C1NCC[C@H]1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852410489	DD	On-Demand	Anodyne	CALCRL	16	41
O=C1NCC[C@H]1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852410489	DD	On-Demand	Anodyne	BIRC8	44	32
O=C1NCC[C@@H]1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852410490	DD	On-Demand	Anodyne	CALCRL	16	41
O=C1NCC[C@@H]1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852410490	DD	On-Demand	Anodyne	BIRC8	44	32
CCOC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852410513	FG	On-Demand	Anodyne	EPHX2	51	52
CCOC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852410513	FG	On-Demand	Anodyne	CACNA1I	56	37
CCOC(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852410513	FG	On-Demand	Anodyne	CCR8	29	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NNc1ccccn1	ZINC000852410566	CD	On-Demand	Reactive	GRIN2B	17	41
CC(C)(C)N1CC[C@H]1CNC(=O)NNc1ccccn1	ZINC000852410568	CD	On-Demand	Reactive	GRIN2B	17	41
C=CC[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1	ZINC000852410569	BG	On-Demand	Mild	SLC6A1	31	40
C=CC[C@H]1CCCN(C[C@@H](O)c2ccccc2)C1	ZINC000852410571	BG	On-Demand	Mild	SLC6A1	31	40
C=CC[C@H]1CCCN(C[C@H](O)c2ccccc2)C1	ZINC000852410573	BG	On-Demand	Mild	SLC6A1	31	40
C=CC[C@@H]1CCCN(C[C@H](O)c2ccccc2)C1	ZINC000852410575	BG	On-Demand	Mild	SLC6A1	31	40
CO[C@]1(CO)CCCN(CCC(=O)OCc2ccccc2)C1	ZINC000852410576	DD	On-Demand	Anodyne	SLC12A5	86	46
CO[C@]1(CO)CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	ZINC000852410580	EC	On-Demand	Reactive	KCNK3	50	35
CO[C@]1(CO)CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	ZINC000852410580	EC	On-Demand	Reactive	KCNK9	40	35
COc1ccc(OC)c([C@H](O)CNC(=O)NCc2cc(Cl)cc(Cl)c2)c1	ZINC000852410593	GH	On-Demand	Anodyne	MTNR1A	26	45
CC(C)(C)OC(=O)N1CCC(CNC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852410596	EC	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)OC(=O)N1CCC(CNC(=O)N[C@@H]2CCNC2=O)CC1	ZINC000852410596	EC	On-Demand	Anodyne	GPR119	35	44
CC(C)(C)OC(=O)N1CCC(CNC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852410598	EC	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)OC(=O)N1CCC(CNC(=O)N[C@H]2CCNC2=O)CC1	ZINC000852410598	EC	On-Demand	Anodyne	GPR119	35	44
C=CC[C@H]1CCCN(Cc2nc(C)c3ccccc3n2)C1	ZINC000852410604	CH	On-Demand	Mild	Q8MHZ5_SHEEP	51	35
CO[C@]1(CO)CCCN(CC(=O)OCc2ccccc2)C1	ZINC000852410605	CD	On-Demand	Anodyne	SLC12A5	84	45
C=CC[C@@H]1CCCN(Cc2nc(C)c3ccccc3n2)C1	ZINC000852410606	CH	On-Demand	Mild	Q8MHZ5_SHEEP	51	35
C=CC[C@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852410608	CE	On-Demand	Mild	LTA4H	26	40
C=CC[C@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852410608	CE	On-Demand	Mild	HRH3	27	43
C=CC[C@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852410608	CE	On-Demand	Mild	CHEK2	24	43
C=CC[C@@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852410610	CE	On-Demand	Mild	LTA4H	26	40
C=CC[C@@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852410610	CE	On-Demand	Mild	HRH3	27	43
C=CC[C@@H]1CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852410610	CE	On-Demand	Mild	CHEK2	24	43
CCOc1ccc(OCCCC(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1	ZINC000852410639	HD	On-Demand	Anodyne	HRH3	16	45
CCOc1ccc(OCCCC(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1	ZINC000852410639	HD	On-Demand	Anodyne	PLA2G4B	63	36
C=CC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852410641	CF	On-Demand	Mild	CACNA1D	41	36
CCOc1ccc(OCCCC(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1	ZINC000852410642	HD	On-Demand	Anodyne	HRH3	16	45
CCOc1ccc(OCCCC(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1	ZINC000852410642	HD	On-Demand	Anodyne	PLA2G4B	63	36
C=CC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852410643	CF	On-Demand	Mild	CACNA1D	41	36
C=CC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852410645	CF	On-Demand	Mild	CACNA1D	41	36
C=CC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852410647	CF	On-Demand	Mild	CACNA1D	41	36
Cn1ncc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852410669	EE	On-Demand	Anodyne	DRD2	17	42
Cn1ncc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852410669	EE	On-Demand	Anodyne	DRD4	37	42
Cn1ncc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852410669	EE	On-Demand	Anodyne	ADRA1D	19	45
Cn1ncc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852410669	EE	On-Demand	Anodyne	ADRA1B	15	42
Cn1ncc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)n1	ZINC000852410669	EE	On-Demand	Anodyne	DRD3	15	40
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	HTR1A	64	46
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	DRD2	66	51
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	CNR1	51	31
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	DRD1	47	40
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	DRD4	49	45
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	ADRA1D	41	44
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	HTR2A	43	47
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	HTR2C	32	47
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	SLC6A4	19	47
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	ADRA1A	33	46
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	ADRA1B	29	41
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	DRD3	92	51
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	HTR7	65	43
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	MC4R	69	39
C#CCNC(=O)CCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852410677	EE	On-Demand	Mild	PRCP	18	41
O=C1NCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410678	DD	On-Demand	Anodyne	SLC18A3	43	38
O=C1NCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410678	DD	On-Demand	Anodyne	LIPE	16	44
O=C1NCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410678	DD	On-Demand	Anodyne	EPHX2	26	46
O=C1NCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410678	DD	On-Demand	Anodyne	CALCRL	21	51
O=C1NCC[C@@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410678	DD	On-Demand	Anodyne	ADAM10	21	42
O=C1NCC[C@@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410679	DD	On-Demand	Anodyne	SLC18A3	43	38
O=C1NCC[C@@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410679	DD	On-Demand	Anodyne	LIPE	16	44
O=C1NCC[C@@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410679	DD	On-Demand	Anodyne	EPHX2	26	46
O=C1NCC[C@@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410679	DD	On-Demand	Anodyne	CALCRL	21	51
O=C1NCC[C@@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410679	DD	On-Demand	Anodyne	ADAM10	21	42
O=C1NCC[C@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410680	DD	On-Demand	Anodyne	SLC18A3	43	38
O=C1NCC[C@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410680	DD	On-Demand	Anodyne	LIPE	16	44
O=C1NCC[C@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410680	DD	On-Demand	Anodyne	EPHX2	26	46
O=C1NCC[C@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410680	DD	On-Demand	Anodyne	CALCRL	21	51
O=C1NCC[C@H]1NC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852410680	DD	On-Demand	Anodyne	ADAM10	21	42
O=C1NCC[C@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410681	DD	On-Demand	Anodyne	SLC18A3	43	38
O=C1NCC[C@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410681	DD	On-Demand	Anodyne	LIPE	16	44
O=C1NCC[C@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410681	DD	On-Demand	Anodyne	EPHX2	26	46
O=C1NCC[C@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410681	DD	On-Demand	Anodyne	CALCRL	21	51
O=C1NCC[C@H]1NC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852410681	DD	On-Demand	Anodyne	ADAM10	21	42
C=CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852410682	CH	On-Demand	Mild	CHRNA3	15	40
C=CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852410682	CH	On-Demand	Mild	CHRNA4	20	40
C=CC[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852410682	CH	On-Demand	Mild	NACHRBETA2	41	40
C=CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852410683	CH	On-Demand	Mild	CHRNA3	15	40
C=CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852410683	CH	On-Demand	Mild	CHRNA4	20	40
C=CC[C@H]1CCCN(Cc2ccc(Cl)nc2)C1	ZINC000852410683	CH	On-Demand	Mild	NACHRBETA2	41	40
C=CC[C@H]1CCCN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852410686	CG	On-Demand	Mild	SIGMAR1	21	42
C=CC[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852410687	CG	On-Demand	Mild	SIGMAR1	21	42
O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCNC1=O	ZINC000852410694	EC	On-Demand	Anodyne	CCR2	49	35
O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCNC1=O	ZINC000852410695	EC	On-Demand	Anodyne	CCR2	49	35
O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)N[C@H]1CCNC1=O	ZINC000852410696	EC	On-Demand	Anodyne	CCR2	49	35
O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)N[C@H]1CCNC1=O	ZINC000852410697	EC	On-Demand	Anodyne	CCR2	49	35
O=C1O[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CC2	ZINC000852410698	FG	On-Demand	Anodyne	ADRA1D	26	47
O=C1O[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CC2	ZINC000852410698	FG	On-Demand	Anodyne	ADRA1A	15	40
O=C1O[C@@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CC2	ZINC000852410698	FG	On-Demand	Anodyne	ADRA1B	21	40
O=C1O[C@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CC2	ZINC000852410699	FG	On-Demand	Anodyne	ADRA1D	26	47
O=C1O[C@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CC2	ZINC000852410699	FG	On-Demand	Anodyne	ADRA1A	15	40
O=C1O[C@H](CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC12CC2	ZINC000852410699	FG	On-Demand	Anodyne	ADRA1B	21	40
CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852410744	FF	On-Demand	Anodyne	EPHX2	20	41
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852410745	FF	On-Demand	Anodyne	EPHX2	20	41
CC(C)(C)OC(=O)N1CCC(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1	ZINC000852410760	GF	On-Demand	Anodyne	CACNA1I	44	35
CC(C)(C)OC(=O)N1CCC(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1	ZINC000852410760	GF	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)OC(=O)N1CCC(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1	ZINC000852410761	GF	On-Demand	Anodyne	CACNA1I	44	35
CC(C)(C)OC(=O)N1CCC(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1	ZINC000852410761	GF	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852410776	GD	On-Demand	Reactive	TGM2	45	33
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852410776	GD	On-Demand	Reactive	F13A1	72	34
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852410777	GD	On-Demand	Reactive	TGM2	45	33
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852410777	GD	On-Demand	Reactive	F13A1	72	34
CC(C)(C)N1CC[C@H]1CNC(=O)NCC(=O)OCc1ccc(Cl)cc1	ZINC000852410784	FF	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)N1CC[C@@H]1CNC(=O)NCC(=O)OCc1ccc(Cl)cc1	ZINC000852410785	FF	On-Demand	Anodyne	CACNA1I	49	33
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852410811	GD	On-Demand	Anodyne	CNR2	18	40
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852410811	GD	On-Demand	Anodyne	SIGMAR1	15	41
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852410813	GD	On-Demand	Anodyne	CNR2	18	40
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852410813	GD	On-Demand	Anodyne	SIGMAR1	15	41
O[C@@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cccnc1	ZINC000852410886	FG	On-Demand	Anodyne	DRD4	16	44
O[C@H](CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cccnc1	ZINC000852410887	FG	On-Demand	Anodyne	DRD4	16	44
C=CC[C@H]1CCCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852410892	CG	On-Demand	Mild	SLC6A1	94	42
C=CC[C@H]1CCCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852410892	CG	On-Demand	Mild	SLC6A3	15	48
C=CC[C@H]1CCCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852410892	CG	On-Demand	Mild	CCR5	15	40
C=CC[C@@H]1CCCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852410893	CG	On-Demand	Mild	SLC6A1	94	42
C=CC[C@@H]1CCCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852410893	CG	On-Demand	Mild	SLC6A3	15	48
C=CC[C@@H]1CCCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852410893	CG	On-Demand	Mild	CCR5	15	40
C=CC[C@H]1CCCN(CC[C@H](O)c2ccccc2)C1	ZINC000852410894	CG	On-Demand	Mild	SLC6A1	94	42
C=CC[C@H]1CCCN(CC[C@H](O)c2ccccc2)C1	ZINC000852410894	CG	On-Demand	Mild	SLC6A3	15	48
C=CC[C@H]1CCCN(CC[C@H](O)c2ccccc2)C1	ZINC000852410894	CG	On-Demand	Mild	CCR5	15	40
C=CC[C@@H]1CCCN(CC[C@H](O)c2ccccc2)C1	ZINC000852410895	CG	On-Demand	Mild	SLC6A1	94	42
C=CC[C@@H]1CCCN(CC[C@H](O)c2ccccc2)C1	ZINC000852410895	CG	On-Demand	Mild	SLC6A3	15	48
C=CC[C@@H]1CCCN(CC[C@H](O)c2ccccc2)C1	ZINC000852410895	CG	On-Demand	Mild	CCR5	15	40
O=C(NCC(=O)OCc1ccccc1)N[C@@H]1CCNC1=O	ZINC000852410896	CB	On-Demand	Anodyne	NAAA	48	42
O=C(NCC(=O)OCc1ccccc1)N[C@H]1CCNC1=O	ZINC000852410897	CB	On-Demand	Anodyne	NAAA	48	42
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852410900	ED	On-Demand	Reactive	CACNA1D	46	36
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852410901	ED	On-Demand	Reactive	CACNA1D	46	36
C=CC[C@@H]1CCCN(CC(=O)Nc2cccnc2Cl)C1	ZINC000852410923	CF	On-Demand	Mild	G2YM83_BOTF4	51	32
C=CC[C@H]1CCCN(CC(=O)Nc2cccnc2Cl)C1	ZINC000852410925	CF	On-Demand	Mild	G2YM83_BOTF4	51	32
C=CC[C@H]1CCCN(Cc2ccccc2CC(=O)OC)C1	ZINC000852410954	CG	On-Demand	Mild	SLC6A1	91	37
C=CC[C@@H]1CCCN(Cc2ccccc2CC(=O)OC)C1	ZINC000852410956	CG	On-Demand	Mild	SLC6A1	91	37
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852410996	ED	On-Demand	Anodyne	PLG	56	32
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852410996	ED	On-Demand	Anodyne	MAOB	22	43
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852410996	ED	On-Demand	Anodyne	LTA4H	40	40
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852410996	ED	On-Demand	Anodyne	TRYP_PIG	46	31
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852410996	ED	On-Demand	Anodyne	ADAM17	40	41
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852410996	ED	On-Demand	Anodyne	NAAA	23	45
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@H]1CCNC1=O	ZINC000852410996	ED	On-Demand	Anodyne	FFAR1	29	42
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852411000	ED	On-Demand	Anodyne	PLG	56	32
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852411000	ED	On-Demand	Anodyne	MAOB	22	43
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852411000	ED	On-Demand	Anodyne	LTA4H	40	40
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852411000	ED	On-Demand	Anodyne	TRYP_PIG	46	31
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852411000	ED	On-Demand	Anodyne	ADAM17	40	41
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852411000	ED	On-Demand	Anodyne	NAAA	23	45
O=C(NCc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCNC1=O	ZINC000852411000	ED	On-Demand	Anodyne	FFAR1	29	42
O[C@H](CN1CC[C@H](O)C(F)(F)C1)c1ccc(F)cc1	ZINC000852411022	CD	On-Demand	Anodyne	SLC6A3	26	43
O[C@@H](CN1CC[C@@H](O)C(F)(F)C1)c1ccc(F)cc1	ZINC000852411024	CD	On-Demand	Anodyne	SLC6A3	26	43
O[C@H]1CCN(C[C@H](O)c2ccc(F)cc2)CC1(F)F	ZINC000852411025	CD	On-Demand	Anodyne	SLC6A3	26	43
O[C@H](CN1CC[C@@H](O)C(F)(F)C1)c1ccc(F)cc1	ZINC000852411026	CD	On-Demand	Anodyne	SLC6A3	26	43
CO[C@]1(CO)CCCN(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)C1	ZINC000852411043	FF	On-Demand	Anodyne	SLC12A5	41	32
C=CC[C@H]1CCCN(Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC000852411051	DF	On-Demand	Mild	Q8MHZ5_SHEEP	75	37
C=CC[C@@H]1CCCN(Cc2nc3ccccc3c(=O)n2CC#N)C1	ZINC000852411052	DF	On-Demand	Mild	Q8MHZ5_SHEEP	75	37
COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H]2CCNC2=O)c1	ZINC000852411078	DB	On-Demand	Anodyne	MTNR1A	19	41
COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H]2CCNC2=O)c1	ZINC000852411080	DB	On-Demand	Anodyne	MTNR1A	19	41
N#Cc1ccc(OCCCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852411132	CE	On-Demand	Mild	HRH3	72	55
N#Cc1ccc(OCCCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852411132	CE	On-Demand	Mild	MEN1	62	53
N#Cc1ccc(OCCCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852411133	CE	On-Demand	Mild	HRH3	72	55
N#Cc1ccc(OCCCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852411133	CE	On-Demand	Mild	MEN1	62	53
CO[C@]1(CO)CCCN([C@H](C)C(=O)Nc2cccnc2Cl)C1	ZINC000852411273	ED	On-Demand	Anodyne	G2YM83_BOTF4	65	33
CO[C@]1(CO)CCCN([C@@H](C)C(=O)Nc2cccnc2Cl)C1	ZINC000852411275	ED	On-Demand	Anodyne	G2YM83_BOTF4	65	33
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	HTR1A	84	51
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	DRD2	84	51
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	DRD1	57	40
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	DRD4	52	40
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	ADRA1D	44	44
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	HTR2A	65	47
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	HTR2C	29	47
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	SLC6A4	20	47
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	ADRA1A	41	43
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	ADRA1B	35	42
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	DRD3	93	51
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	HTR4	24	41
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411295	GE	On-Demand	Anodyne	HTR7	80	44
CO[C@]1(CO)CCCN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852411300	GD	On-Demand	Anodyne	STAT6	53	35
CO[C@]1(CO)CCCN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852411301	GD	On-Demand	Anodyne	STAT6	53	35
CO[C@]1(CO)CCCN(C[C@@H]2CCc3ccccc32)C1	ZINC000852411333	CE	On-Demand	Anodyne	SIGMAR1	21	51
CO[C@]1(CO)CCCN(C[C@@H]2CCc3ccccc32)C1	ZINC000852411333	CE	On-Demand	Anodyne	EBP	23	51
CO[C@]1(CO)CCCN(C[C@H]2CCc3ccccc32)C1	ZINC000852411334	CE	On-Demand	Anodyne	SIGMAR1	21	51
CO[C@]1(CO)CCCN(C[C@H]2CCc3ccccc32)C1	ZINC000852411334	CE	On-Demand	Anodyne	EBP	23	51
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc(Cl)c1	ZINC000852411338	EE	On-Demand	Reactive	CACNA1I	78	52
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc(Cl)c1	ZINC000852411340	EE	On-Demand	Reactive	CACNA1I	78	52
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852411341	ED	On-Demand	Anodyne	ACOX1	48	32
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852411341	ED	On-Demand	Anodyne	ABCB1	55	45
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852411342	ED	On-Demand	Anodyne	ACOX1	48	32
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852411342	ED	On-Demand	Anodyne	ABCB1	55	45
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852411344	ED	On-Demand	Anodyne	ACOX1	48	32
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852411344	ED	On-Demand	Anodyne	ABCB1	55	45
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852411345	ED	On-Demand	Anodyne	ACOX1	48	32
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852411345	ED	On-Demand	Anodyne	ABCB1	55	45
O=S1(=O)CCC(CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC1	ZINC000852411353	GF	On-Demand	Anodyne	ADRA1D	19	45
O=S1(=O)CCC(CN2CCN(c3ccc(Cl)cc3Cl)CC2)CC1	ZINC000852411353	GF	On-Demand	Anodyne	ADRA1B	15	40
C=CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411377	DE	On-Demand	Mild	CA2	35	40
C=CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411377	DE	On-Demand	Mild	CA1	35	40
C=CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411377	DE	On-Demand	Mild	CA7	21	40
C=CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411377	DE	On-Demand	Mild	HRH3	15	52
C=CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411377	DE	On-Demand	Mild	CA12	20	40
C=CC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411377	DE	On-Demand	Mild	CA9	30	40
C=CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411380	DE	On-Demand	Mild	CA2	35	40
C=CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411380	DE	On-Demand	Mild	CA1	35	40
C=CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411380	DE	On-Demand	Mild	CA7	21	40
C=CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411380	DE	On-Demand	Mild	HRH3	15	52
C=CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411380	DE	On-Demand	Mild	CA12	20	40
C=CC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852411380	DE	On-Demand	Mild	CA9	30	40
COC(=O)/C=C\c1ccc(OCCN2CCC[C@](CO)(OC)C2)cc1	ZINC000852411399	ED	On-Demand	Anodyne	HRH3	17	44
COC(=O)/C=C\c1ccc(OCCN2CCC[C@](CO)(OC)C2)cc1	ZINC000852411399	ED	On-Demand	Anodyne	PSMB2	40	37
COC(=O)/C=C\c1ccc(OCCN2CCC[C@](CO)(OC)C2)cc1	ZINC000852411399	ED	On-Demand	Anodyne	PSMB1	42	37
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@](CO)(OC)C2)cc1	ZINC000852411400	ED	On-Demand	Anodyne	HRH3	17	44
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@](CO)(OC)C2)cc1	ZINC000852411400	ED	On-Demand	Anodyne	PSMB2	40	37
COC(=O)/C=C\c1ccc(OCCN2CCC[C@@](CO)(OC)C2)cc1	ZINC000852411400	ED	On-Demand	Anodyne	PSMB1	42	37
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	HTR1A	25	45
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	DRD2	28	47
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	DRD4	32	47
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	ADRA1D	15	40
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	HTR2A	19	44
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	DRD3	35	45
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	HTR7	16	40
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	MC4R	46	38
NC(=O)[C@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411409	GE	On-Demand	Anodyne	NPY2R	49	43
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	HTR1A	25	45
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	DRD2	28	47
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	DRD4	32	47
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	ADRA1D	15	40
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	HTR2A	19	44
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	DRD3	35	45
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	HTR7	16	40
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	MC4R	46	38
NC(=O)[C@@](O)(CN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1	ZINC000852411410	GE	On-Demand	Anodyne	NPY2R	49	43
C=CC[C@H]1CCCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1	ZINC000852411411	EE	On-Demand	Mild	CCR3	42	44
C=CC[C@H]1CCCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1	ZINC000852411411	EE	On-Demand	Mild	F13A1	55	37
C=CC[C@@H]1CCCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1	ZINC000852411412	EE	On-Demand	Mild	CCR3	42	44
C=CC[C@@H]1CCCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1	ZINC000852411412	EE	On-Demand	Mild	F13A1	55	37
Cc1oncc1CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411429	EH	On-Demand	Anodyne	DRD4	35	42
Cc1oncc1CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411429	EH	On-Demand	Anodyne	ADRA1D	17	45
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	ZINC000852411430	DE	On-Demand	Reactive	DRD4	15	42
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	ZINC000852411430	DE	On-Demand	Reactive	KCNK3	52	37
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	ZINC000852411430	DE	On-Demand	Reactive	KCNK9	42	37
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	ZINC000852411431	DE	On-Demand	Reactive	DRD4	15	42
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	ZINC000852411431	DE	On-Demand	Reactive	KCNK3	52	37
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C)c2)C1	ZINC000852411431	DE	On-Demand	Reactive	KCNK9	42	37
CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCNC3=O)CC2)c(F)c1	ZINC000852411442	EC	On-Demand	Anodyne	NPY2R	40	37
CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCNC3=O)CC2)c(F)c1	ZINC000852411442	EC	On-Demand	Anodyne	SLC6A9	23	45
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCNC3=O)CC2)c(F)c1	ZINC000852411443	EC	On-Demand	Anodyne	NPY2R	40	37
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCNC3=O)CC2)c(F)c1	ZINC000852411443	EC	On-Demand	Anodyne	SLC6A9	23	45
C=CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411446	CD	On-Demand	Mild	CHRM2	20	40
C=CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411446	CD	On-Demand	Mild	CHRM1	18	40
C=CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411446	CD	On-Demand	Mild	SLC6A1	78	34
C=CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411446	CD	On-Demand	Mild	CHRM4	16	40
C=CC[C@@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411446	CD	On-Demand	Mild	CHRM3	34	40
C=CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411449	CD	On-Demand	Mild	CHRM2	20	40
C=CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411449	CD	On-Demand	Mild	CHRM1	18	40
C=CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411449	CD	On-Demand	Mild	SLC6A1	78	34
C=CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411449	CD	On-Demand	Mild	CHRM4	16	40
C=CC[C@@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411449	CD	On-Demand	Mild	CHRM3	34	40
C=CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411452	CD	On-Demand	Mild	CHRM2	20	40
C=CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411452	CD	On-Demand	Mild	CHRM1	18	40
C=CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411452	CD	On-Demand	Mild	SLC6A1	78	34
C=CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411452	CD	On-Demand	Mild	CHRM4	16	40
C=CC[C@H]1CCCN(C[C@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411452	CD	On-Demand	Mild	CHRM3	34	40
C=CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411456	CD	On-Demand	Mild	CHRM2	20	40
C=CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411456	CD	On-Demand	Mild	CHRM1	18	40
C=CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411456	CD	On-Demand	Mild	SLC6A1	78	34
C=CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411456	CD	On-Demand	Mild	CHRM4	16	40
C=CC[C@H]1CCCN(C[C@@](O)(C(N)=O)c2ccccc2)C1	ZINC000852411456	CD	On-Demand	Mild	CHRM3	34	40
CC(C)(C)N1CC[C@H]1CNC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852411459	FE	On-Demand	Anodyne	PRKCQ	41	32
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852411461	FE	On-Demand	Anodyne	PRKCQ	41	32
N#CCOc1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852411507	CD	On-Demand	Mild	SIGMAR1	17	45
N#CCOc1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852411508	CD	On-Demand	Mild	SIGMAR1	17	45
O=C(CN1CC[C@@H](O)C(F)(F)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852411535	EC	On-Demand	Reactive	CACNA1I	64	45
O=C(CN1CC[C@H](O)C(F)(F)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852411536	EC	On-Demand	Reactive	CACNA1I	64	45
CC(C)(C)N1CC[C@H]1CNC(=O)NNc1ncnc2ccsc12	ZINC000852411545	EE	On-Demand	Reactive	SIRT3	49	31
CC(C)(C)N1CC[C@H]1CNC(=O)NNc1ncnc2ccsc12	ZINC000852411545	EE	On-Demand	Reactive	SIRT2	51	32
CC(C)(C)N1CC[C@H]1CNC(=O)NNc1ncnc2ccsc12	ZINC000852411545	EE	On-Demand	Reactive	SIRT1	49	31
CC(C)(C)N1CC[C@@H]1CNC(=O)NNc1ncnc2ccsc12	ZINC000852411546	EE	On-Demand	Reactive	SIRT3	49	31
CC(C)(C)N1CC[C@@H]1CNC(=O)NNc1ncnc2ccsc12	ZINC000852411546	EE	On-Demand	Reactive	SIRT2	51	32
CC(C)(C)N1CC[C@@H]1CNC(=O)NNc1ncnc2ccsc12	ZINC000852411546	EE	On-Demand	Reactive	SIRT1	49	31
CO[C@]1(CO)CCCN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852411639	DD	On-Demand	Anodyne	SIGMAR1	20	43
CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CCN3C(C)(C)C)CC2)c(F)c1	ZINC000852411677	GF	On-Demand	Anodyne	NPY2R	60	40
CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CCN3C(C)(C)C)CC2)c(F)c1	ZINC000852411677	GF	On-Demand	Anodyne	SLC6A9	21	44
CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CCN3C(C)(C)C)CC2)c(F)c1	ZINC000852411678	GF	On-Demand	Anodyne	NPY2R	60	40
CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CCN3C(C)(C)C)CC2)c(F)c1	ZINC000852411678	GF	On-Demand	Anodyne	SLC6A9	21	44
C=CC[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1	ZINC000852411704	CG	On-Demand	Mild	HRH3	22	41
C=CC[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1	ZINC000852411707	CG	On-Demand	Mild	HRH3	22	41
CC(C)(C)N1CC[C@H]1CNC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852411708	GD	On-Demand	Anodyne	TMPRSS11D	41	33
CC(C)(C)N1CC[C@@H]1CNC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852411709	GD	On-Demand	Anodyne	TMPRSS11D	41	33
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@@H](O)C(F)(F)C1	ZINC000852411779	DD	On-Demand	Anodyne	G2YM83_BOTF4	68	35
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@H](O)C(F)(F)C1	ZINC000852411780	DD	On-Demand	Anodyne	G2YM83_BOTF4	68	35
CCCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852411786	CD	On-Demand	Mild	EPHX2	26	53
CCCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852411786	CD	On-Demand	Mild	ASAH1	91	38
CCCCCCCCCNC(=O)N[C@@H]1CCNC1=O	ZINC000852411786	CD	On-Demand	Mild	LASR	59	37
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852411788	FD	On-Demand	Anodyne	PIK3CA	40	39
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852411788	FD	On-Demand	Anodyne	MTOR	81	39
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852411788	FD	On-Demand	Anodyne	EPHX2	22	46
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852411788	FD	On-Demand	Anodyne	STAT6	58	34
CCCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852411790	CD	On-Demand	Mild	EPHX2	26	53
CCCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852411790	CD	On-Demand	Mild	ASAH1	91	38
CCCCCCCCCNC(=O)N[C@H]1CCNC1=O	ZINC000852411790	CD	On-Demand	Mild	LASR	59	37
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852411791	FD	On-Demand	Anodyne	PIK3CA	40	39
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852411791	FD	On-Demand	Anodyne	MTOR	81	39
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852411791	FD	On-Demand	Anodyne	EPHX2	22	46
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852411791	FD	On-Demand	Anodyne	STAT6	58	34
C=CC[C@@H]1CCCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852411828	FG	On-Demand	Mild	STAT6	46	31
C=CC[C@H]1CCCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852411830	FG	On-Demand	Mild	STAT6	46	31
COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@H]2CCN2C(C)(C)C)c1	ZINC000852411831	FD	On-Demand	Anodyne	MTNR1A	20	40
COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1	ZINC000852411835	FD	On-Demand	Anodyne	MTNR1A	20	40
CO[C@]1(CO)CCCN(Cc2ccc3c(c2)COC3)C1	ZINC000852411850	CD	On-Demand	Anodyne	MCHR2	57	34
CON(C)C(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411911	EE	On-Demand	Anodyne	HTR1A	24	41
CON(C)C(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411911	EE	On-Demand	Anodyne	DRD2	25	48
CON(C)C(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411911	EE	On-Demand	Anodyne	DRD4	38	45
CON(C)C(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411911	EE	On-Demand	Anodyne	ADRA1D	22	41
CON(C)C(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411911	EE	On-Demand	Anodyne	ADRA1A	18	42
CON(C)C(=O)CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852411911	EE	On-Demand	Anodyne	DRD3	33	48
O=C(NC[C@H](O)COc1cccc(F)c1)N[C@@H]1CCNC1=O	ZINC000852411939	DB	On-Demand	Anodyne	ADRB1	25	43
CO[C@]1(CO)CCCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852411940	GD	On-Demand	Anodyne	STAT6	46	32
O=C(NC[C@H](O)COc1cccc(F)c1)N[C@H]1CCNC1=O	ZINC000852411941	DB	On-Demand	Anodyne	ADRB1	25	43
O=C(NC[C@@H](O)COc1cccc(F)c1)N[C@H]1CCNC1=O	ZINC000852411943	DB	On-Demand	Anodyne	ADRB1	25	43
O=C(NC[C@@H](O)COc1cccc(F)c1)N[C@@H]1CCNC1=O	ZINC000852411945	DB	On-Demand	Anodyne	ADRB1	25	43
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCNC1=O	ZINC000852411983	EE	On-Demand	Anodyne	LUXR	15	41
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCNC1=O	ZINC000852411984	EE	On-Demand	Anodyne	LUXR	15	41
C=CC[C@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852411999	DF	On-Demand	Mild	SLC6A1	77	37
C=CC[C@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852411999	DF	On-Demand	Mild	SIGMAR1	20	40
C=CC[C@@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852412000	DF	On-Demand	Mild	SLC6A1	77	37
C=CC[C@@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852412000	DF	On-Demand	Mild	SIGMAR1	20	40
O=C1NCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852412017	EE	On-Demand	Anodyne	RBP4	92	45
O=C1NCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852412017	EE	On-Demand	Anodyne	SFRP1	55	33
O=C1NCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852412017	EE	On-Demand	Anodyne	WNT3	56	33
O=C1NCC[C@H]1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852412021	EE	On-Demand	Anodyne	RBP4	92	45
O=C1NCC[C@H]1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852412021	EE	On-Demand	Anodyne	SFRP1	55	33
O=C1NCC[C@H]1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852412021	EE	On-Demand	Anodyne	WNT3	56	33
O=C1NCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852412023	EE	On-Demand	Anodyne	RBP4	92	45
O=C1NCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852412023	EE	On-Demand	Anodyne	SFRP1	55	33
O=C1NCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852412023	EE	On-Demand	Anodyne	WNT3	56	33
O=C1NCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852412024	EE	On-Demand	Anodyne	RBP4	92	45
O=C1NCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852412024	EE	On-Demand	Anodyne	SFRP1	55	33
O=C1NCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852412024	EE	On-Demand	Anodyne	WNT3	56	33
C=CC[C@H]1CCCN(CC(=O)NCc2ccc(NC(=O)OC)cc2)C1	ZINC000852412028	EF	On-Demand	Mild	CCR3	44	37
C=CC[C@@H]1CCCN(CC(=O)NCc2ccc(NC(=O)OC)cc2)C1	ZINC000852412032	EF	On-Demand	Mild	CCR3	44	37
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852412041	EF	On-Demand	Anodyne	ADRB1	32	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852412041	EF	On-Demand	Anodyne	ADRB3	48	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852412041	EF	On-Demand	Anodyne	CYP3A4	50	37
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852412041	EF	On-Demand	Anodyne	CACNA1I	47	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852412043	EF	On-Demand	Anodyne	ADRB1	32	42
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852412043	EF	On-Demand	Anodyne	ADRB3	48	42
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852412043	EF	On-Demand	Anodyne	CYP3A4	50	37
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852412043	EF	On-Demand	Anodyne	CACNA1I	47	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852412045	EF	On-Demand	Anodyne	ADRB1	32	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852412045	EF	On-Demand	Anodyne	ADRB3	48	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852412045	EF	On-Demand	Anodyne	CYP3A4	50	37
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852412045	EF	On-Demand	Anodyne	CACNA1I	47	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852412047	EF	On-Demand	Anodyne	ADRB1	32	42
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852412047	EF	On-Demand	Anodyne	ADRB3	48	42
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852412047	EF	On-Demand	Anodyne	CYP3A4	50	37
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852412047	EF	On-Demand	Anodyne	CACNA1I	47	40
CO[C@]1(CO)CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852412051	FC	On-Demand	Reactive	DRD4	42	33
CO[C@]1(CO)CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852412051	FC	On-Demand	Reactive	AVPR1B	41	35
CO[C@]1(CO)CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852412051	FC	On-Demand	Reactive	CACNA1I	22	40
CO[C@]1(CO)CCCN(CCOc2ccccc2C(=O)OC(C)(C)C)C1	ZINC000852412094	FE	On-Demand	Anodyne	HCN1	51	32
CO[C@]1(CO)CCCN(CCOc2ccccc2C(=O)OC(C)(C)C)C1	ZINC000852412094	FE	On-Demand	Anodyne	HCN4	47	32
Cc1nonc1CN1CCN(c2ccc(Cl)cc2Cl)CC1	ZINC000852412096	EG	On-Demand	Anodyne	DRD4	29	44
CO[C@]1(CO)CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852412102	GF	On-Demand	Anodyne	GRIN2B	39	48
CO[C@]1(CO)CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852412102	GF	On-Demand	Anodyne	PREP	29	43
CO[C@]1(CO)CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852412102	GF	On-Demand	Anodyne	TGM2	25	42
CO[C@]1(CO)CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852412102	GF	On-Demand	Anodyne	F13A1	31	42
CO[C@]1(CO)CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1	ZINC000852412102	GF	On-Demand	Anodyne	SLC12A5	76	42
CCOC(=O)N[C@H]1CCCN(C(=O)NCc2cc(Cl)cc(Cl)c2)C1	ZINC000852412121	FG	On-Demand	Anodyne	CACNA1I	46	34
CO[C@]1(CO)CCCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852412125	ED	On-Demand	Anodyne	SLC12A5	59	35
CCOC(=O)N(C)C1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1	ZINC000852412127	GH	On-Demand	Anodyne	CACNA1I	43	35
CO[C@]1(CO)CCCN(CC(=O)Nc2ccccc2C(=O)NCC(C)C)C1	ZINC000852412143	GD	On-Demand	Anodyne	HCN1	52	34
C=CC[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852412190	DH	On-Demand	Mild	SLC6A1	51	34
C=CC[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852412190	DH	On-Demand	Mild	HRH3	24	48
C=CC[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852412190	DH	On-Demand	Mild	L3MBTL3	83	52
C=CC[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852412191	DH	On-Demand	Mild	SLC6A1	51	34
C=CC[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852412191	DH	On-Demand	Mild	HRH3	24	48
C=CC[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1	ZINC000852412191	DH	On-Demand	Mild	L3MBTL3	83	52
C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1	ZINC000852412200	FF	On-Demand	Mild	TGM2	55	35
C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1	ZINC000852412200	FF	On-Demand	Mild	F13A1	79	36
C=CC[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1	ZINC000852412201	FF	On-Demand	Mild	TGM2	55	35
C=CC[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1	ZINC000852412201	FF	On-Demand	Mild	F13A1	79	36
C=CC[C@@H]1CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412202	DF	On-Demand	Mild	ACOX1	45	33
C=CC[C@@H]1CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412202	DF	On-Demand	Mild	ABCB1	55	45
C=CC[C@H]1CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412203	DF	On-Demand	Mild	ACOX1	45	33
C=CC[C@H]1CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412203	DF	On-Demand	Mild	ABCB1	55	45
C=CC[C@@H]1CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412204	DF	On-Demand	Mild	ACOX1	45	33
C=CC[C@@H]1CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412204	DF	On-Demand	Mild	ABCB1	55	45
C=CC[C@H]1CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412205	DF	On-Demand	Mild	ACOX1	45	33
C=CC[C@H]1CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412205	DF	On-Demand	Mild	ABCB1	55	45
C=CC[C@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852412206	EF	On-Demand	Mild	MTOR	72	37
C=CC[C@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852412206	EF	On-Demand	Mild	EPHX2	15	42
C=CC[C@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852412206	EF	On-Demand	Mild	STAT6	51	32
C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852412207	EF	On-Demand	Mild	MTOR	72	37
C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852412207	EF	On-Demand	Mild	EPHX2	15	42
C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852412207	EF	On-Demand	Mild	STAT6	51	32
C=CC[C@@H]1CCCN(C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1	ZINC000852412225	DE	On-Demand	Mild	CCR5	17	41
C=CC[C@@H]1CCCN(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1	ZINC000852412226	DE	On-Demand	Mild	CCR5	17	41
C=CC[C@H]1CCCN(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1	ZINC000852412227	DE	On-Demand	Mild	CCR5	17	41
C=CC[C@H]1CCCN(C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1	ZINC000852412228	DE	On-Demand	Mild	CCR5	17	41
C=CC[C@H]1CCCN(C[C@H](O)c2cccc(F)c2)C1	ZINC000852412231	CG	On-Demand	Mild	SLC6A1	18	43
C=CC[C@@H]1CCCN(C[C@H](O)c2cccc(F)c2)C1	ZINC000852412232	CG	On-Demand	Mild	SLC6A1	18	43
C=CC[C@@H]1CCCN(C[C@@H](O)c2cccc(F)c2)C1	ZINC000852412233	CG	On-Demand	Mild	SLC6A1	18	43
C=CC[C@H]1CCCN(C[C@@H](O)c2cccc(F)c2)C1	ZINC000852412234	CG	On-Demand	Mild	SLC6A1	18	43
C=CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	ZINC000852412241	EE	On-Demand	Reactive	SLC6A1	92	39
C=CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	ZINC000852412242	EE	On-Demand	Reactive	SLC6A1	92	39
C=CC[C@H]1CCCN(Cc2cc(=O)oc3cc(OC)ccc23)C1	ZINC000852412245	DH	On-Demand	Mild	CYP11B1	17	42
C=CC[C@H]1CCCN(Cc2cc(=O)oc3cc(OC)ccc23)C1	ZINC000852412245	DH	On-Demand	Mild	MAOB	16	42
C=CC[C@@H]1CCCN(Cc2cc(=O)oc3cc(OC)ccc23)C1	ZINC000852412246	DH	On-Demand	Mild	CYP11B1	17	42
C=CC[C@@H]1CCCN(Cc2cc(=O)oc3cc(OC)ccc23)C1	ZINC000852412246	DH	On-Demand	Mild	MAOB	16	42
CCOC(=O)C1=C(CN2CC[C@@H](O)C(F)(F)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852412263	GD	On-Demand	Anodyne	CACNA1C	17	40
CCOC(=O)C1=C(CN2CC[C@@H](O)C(F)(F)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852412263	GD	On-Demand	Anodyne	SLC27A4	75	36
CCOC(=O)C1=C(CN2CC[C@H](O)C(F)(F)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852412264	GD	On-Demand	Anodyne	CACNA1C	17	40
CCOC(=O)C1=C(CN2CC[C@H](O)C(F)(F)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852412264	GD	On-Demand	Anodyne	SLC27A4	75	36
CCOC(=O)C1=C(CN2CC[C@H](O)C(F)(F)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852412265	GD	On-Demand	Anodyne	CACNA1C	17	40
CCOC(=O)C1=C(CN2CC[C@H](O)C(F)(F)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852412265	GD	On-Demand	Anodyne	SLC27A4	75	36
CCOC(=O)C1=C(CN2CC[C@@H](O)C(F)(F)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852412266	GD	On-Demand	Anodyne	CACNA1C	17	40
CCOC(=O)C1=C(CN2CC[C@@H](O)C(F)(F)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852412266	GD	On-Demand	Anodyne	SLC27A4	75	36
CO[C@]1(CO)CCCN(CC(=O)Nc2ccc3nc(O)[nH]c3c2)C1	ZINC000852412282	EC	On-Demand	Anodyne	ENPP1	46	33
CO[C@]1(CO)CCCN(Cc2ccc(OCC#N)cc2)C1	ZINC000852412328	CD	On-Demand	Mild	HRH3	15	40
CO[C@]1(CO)CCCN([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1	ZINC000852412329	GE	On-Demand	Anodyne	KCNQ2	16	46
CO[C@]1(CO)CCCN([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)C1	ZINC000852412330	GE	On-Demand	Anodyne	KCNQ2	16	46
CO[C@]1(CO)CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852412334	FC	On-Demand	Anodyne	MTOR	63	37
CO[C@]1(CO)CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1	ZINC000852412334	FC	On-Demand	Anodyne	STAT6	51	33
CO[C@]1(CO)CCCN(Cc2ccc(OCC(N)=O)cc2)C1	ZINC000852412338	DC	On-Demand	Anodyne	HRH3	21	41
CO[C@]1(CO)CCCN(CC(=O)NOCc2ccccc2)C1	ZINC000852412364	DC	On-Demand	Anodyne	SLC12A5	77	45
C[C@H]1CCOCCN1C(=O)NCc1cc(Cl)cc(Cl)c1	ZINC000852412387	DG	On-Demand	Anodyne	CACNA1I	53	36
C[C@@H]1CCOCCN1C(=O)NCc1cc(Cl)cc(Cl)c1	ZINC000852412388	DG	On-Demand	Anodyne	CACNA1I	53	36
CO[C@]1(CO)CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852412392	DD	On-Demand	Anodyne	SIGMAR1	17	44
CO[C@]1(CO)CCCN(CCOC(=O)Cc2ccccc2)C1	ZINC000852412392	DD	On-Demand	Anodyne	SLC12A5	77	41
CO[C@]1(CO)CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852412410	EC	On-Demand	Anodyne	CA2	57	42
CO[C@]1(CO)CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852412410	EC	On-Demand	Anodyne	CA1	54	38
CO[C@]1(CO)CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852412410	EC	On-Demand	Anodyne	CA7	38	42
CO[C@]1(CO)CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852412410	EC	On-Demand	Anodyne	CA4	37	42
CO[C@]1(CO)CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852412410	EC	On-Demand	Anodyne	CA12	37	42
CO[C@]1(CO)CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852412410	EC	On-Demand	Anodyne	CA9	46	42
CO[C@]1(CO)CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852412410	EC	On-Demand	Anodyne	NCE103	19	42
CO[C@]1(CO)CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1	ZINC000852412410	EC	On-Demand	Anodyne	SLC12A5	43	36
CO[C@]1(CO)CCCN(CCOc2ccc3c(C)cc(=O)oc3c2)C1	ZINC000852412416	ED	On-Demand	Anodyne	MAOA	60	44
CO[C@]1(CO)CCCN(CCOc2ccc3c(C)cc(=O)oc3c2)C1	ZINC000852412416	ED	On-Demand	Anodyne	ACHE	20	48
CO[C@]1(CO)CCCN(CCOc2ccc3c(C)cc(=O)oc3c2)C1	ZINC000852412416	ED	On-Demand	Anodyne	MAOB	43	47
CO[C@]1(CO)CCCN(CCOc2ccc3c(C)cc(=O)oc3c2)C1	ZINC000852412416	ED	On-Demand	Anodyne	BCHE	21	48
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	ZINC000852412433	FE	On-Demand	Reactive	CACNA1I	58	39
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Cc1ccc(Cl)cc1	ZINC000852412434	FE	On-Demand	Reactive	CACNA1I	58	39
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	ZINC000852412451	FD	On-Demand	Reactive	NOS2	50	31
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Nc1ccc2c(c1)OCO2	ZINC000852412452	FD	On-Demand	Reactive	NOS2	50	31
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)nc2)c1C	ZINC000852412477	GG	On-Demand	Anodyne	DGAT1	33	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	ZINC000852412527	GG	On-Demand	Reactive	CACNA1I	50	35
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	ZINC000852412529	GG	On-Demand	Reactive	CACNA1I	50	35
CO[C@]1(CO)CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000852412537	GC	On-Demand	Bother	SSTR1	42	44
O=C(CN1CC[C@@H](O)C(F)(F)C1)NOCc1ccccc1	ZINC000852412576	DC	On-Demand	Anodyne	SLC12A5	46	35
O=C(CN1CC[C@H](O)C(F)(F)C1)NOCc1ccccc1	ZINC000852412578	DC	On-Demand	Anodyne	SLC12A5	46	35
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412584	HF	On-Demand	Anodyne	DRD4	38	46
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412584	HF	On-Demand	Anodyne	ACHE	19	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412584	HF	On-Demand	Anodyne	CHRM3	17	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412584	HF	On-Demand	Anodyne	SIGMAR1	30	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412584	HF	On-Demand	Anodyne	CCR3	23	40
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412584	HF	On-Demand	Anodyne	MCHR1	17	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412584	HF	On-Demand	Anodyne	BIRC2	35	43
CO[C@]1(CO)CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412585	ED	On-Demand	Anodyne	ACOX1	48	31
CO[C@]1(CO)CCCN(C[C@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412585	ED	On-Demand	Anodyne	ABCB1	56	47
CO[C@]1(CO)CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412586	ED	On-Demand	Anodyne	ACOX1	48	31
CO[C@]1(CO)CCCN(C[C@@H](O)COc2ccc(C(C)=O)cc2)C1	ZINC000852412586	ED	On-Demand	Anodyne	ABCB1	56	47
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412590	HF	On-Demand	Anodyne	DRD4	38	46
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412590	HF	On-Demand	Anodyne	ACHE	19	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412590	HF	On-Demand	Anodyne	CHRM3	17	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412590	HF	On-Demand	Anodyne	SIGMAR1	30	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412590	HF	On-Demand	Anodyne	CCR3	23	40
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412590	HF	On-Demand	Anodyne	MCHR1	17	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412590	HF	On-Demand	Anodyne	BIRC2	35	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412592	HF	On-Demand	Anodyne	DRD4	38	46
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412592	HF	On-Demand	Anodyne	ACHE	19	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412592	HF	On-Demand	Anodyne	CHRM3	17	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412592	HF	On-Demand	Anodyne	SIGMAR1	30	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412592	HF	On-Demand	Anodyne	CCR3	23	40
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412592	HF	On-Demand	Anodyne	MCHR1	17	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412592	HF	On-Demand	Anodyne	BIRC2	35	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412594	HF	On-Demand	Anodyne	DRD4	38	46
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412594	HF	On-Demand	Anodyne	ACHE	19	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412594	HF	On-Demand	Anodyne	CHRM3	17	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412594	HF	On-Demand	Anodyne	SIGMAR1	30	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412594	HF	On-Demand	Anodyne	CCR3	23	40
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412594	HF	On-Demand	Anodyne	MCHR1	17	43
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C	ZINC000852412594	HF	On-Demand	Anodyne	BIRC2	35	43
O[C@H]1CCN(Cc2cn(Cc3ccccc3)nn2)CC1(F)F	ZINC000852412604	DD	On-Demand	Anodyne	SIGMAR1	41	41
O[C@@H]1CCN(Cc2cn(Cc3ccccc3)nn2)CC1(F)F	ZINC000852412606	DD	On-Demand	Anodyne	SIGMAR1	41	41
COc1ccc(N2CCN(C(=O)CN3CC[C@H](O)C(F)(F)C3)CC2)cc1	ZINC000852412612	FD	On-Demand	Clean	MAPK1	22	40
COc1ccc(N2CCN(C(=O)CN3CC[C@@H](O)C(F)(F)C3)CC2)cc1	ZINC000852412613	FD	On-Demand	Clean	MAPK1	22	40
CO[C@]1(CO)CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852412619	FF	On-Demand	Anodyne	LTA4H	19	42
CO[C@]1(CO)CCCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852412619	FF	On-Demand	Anodyne	MCHR1	16	43
CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](O)C(F)(F)C3)CC2)c(F)c1	ZINC000852412627	GD	On-Demand	Anodyne	MAPK1	20	49
CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](O)C(F)(F)C3)CC2)c(F)c1	ZINC000852412627	GD	On-Demand	Anodyne	SLC6A9	21	45
CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@H](O)C(F)(F)C3)CC2)c(F)c1	ZINC000852412628	GD	On-Demand	Anodyne	MAPK1	20	49
CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@H](O)C(F)(F)C3)CC2)c(F)c1	ZINC000852412628	GD	On-Demand	Anodyne	SLC6A9	21	45
CO[C@]1(CO)CCCN(CCOc2cccc(F)c2)C1	ZINC000852412677	CD	On-Demand	Anodyne	LTA4H	32	44
CO[C@]1(CO)CCCN(CCOc2cccc(F)c2)C1	ZINC000852412677	CD	On-Demand	Anodyne	CHRNA10	42	42
CO[C@]1(CO)CCCN(CCOc2cccc(F)c2)C1	ZINC000852412677	CD	On-Demand	Anodyne	PSMB1	41	36
CO[C@]1(CO)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852412705	DD	On-Demand	Bother	CACNA1C	46	35
CO[C@]1(CO)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852412705	DD	On-Demand	Bother	CACNA1D	71	35
CO[C@]1(CO)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852412706	DD	On-Demand	Bother	CACNA1C	46	35
CO[C@]1(CO)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000852412706	DD	On-Demand	Bother	CACNA1D	71	35
CO[C@]1(CO)CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1	ZINC000852412726	FC	On-Demand	Reactive	HCN1	47	32
CO[C@]1(CO)CCCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852412736	EE	On-Demand	Anodyne	LUCI_PHOPY	75	45
CO[C@]1(CO)CCCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852412737	EE	On-Demand	Anodyne	LUCI_PHOPY	75	45
CO[C@]1(CO)CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1	ZINC000852412750	GE	On-Demand	Anodyne	AVPR2	50	37
CO[C@]1(CO)CCCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852412766	FG	On-Demand	Anodyne	HRH2	29	41
CO[C@]1(CO)CCCN(Cc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852412766	FG	On-Demand	Anodyne	NPFFR2	23	42
CC(C)(C)N1CC[C@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412771	ED	On-Demand	Anodyne	FKBP1A	28	43
CC(C)(C)N1CC[C@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412771	ED	On-Demand	Anodyne	GRIN2B	22	42
CC(C)(C)N1CC[C@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412771	ED	On-Demand	Anodyne	CTRA_BOVIN	53	31
CC(C)(C)N1CC[C@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412771	ED	On-Demand	Anodyne	CELA2A	47	31
CC(C)(C)N1CC[C@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412771	ED	On-Demand	Anodyne	SLC12A5	68	37
CC(C)(C)N1CC[C@@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412772	ED	On-Demand	Anodyne	FKBP1A	28	43
CC(C)(C)N1CC[C@@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412772	ED	On-Demand	Anodyne	GRIN2B	22	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412772	ED	On-Demand	Anodyne	CTRA_BOVIN	53	31
CC(C)(C)N1CC[C@@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412772	ED	On-Demand	Anodyne	CELA2A	47	31
CC(C)(C)N1CC[C@@H]1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852412772	ED	On-Demand	Anodyne	SLC12A5	68	37
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852412773	ED	On-Demand	Reactive	CCKAR	40	36
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852412773	ED	On-Demand	Reactive	NMBR	60	31
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852412773	ED	On-Demand	Reactive	CCKBR	50	37
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852412774	ED	On-Demand	Reactive	CCKAR	40	36
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852412774	ED	On-Demand	Reactive	NMBR	60	31
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852412774	ED	On-Demand	Reactive	CCKBR	50	37
CC(C)(C)N1CC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852412778	GE	On-Demand	Bother	SSTR1	53	44
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852412779	GE	On-Demand	Bother	SSTR1	53	44
COc1ccc2c(CN3CC[C@H](O)C(F)(F)C3)cc(=O)oc2c1	ZINC000852412787	EE	On-Demand	Anodyne	CYP11B1	17	42
COc1ccc2c(CN3CC[C@H](O)C(F)(F)C3)cc(=O)oc2c1	ZINC000852412787	EE	On-Demand	Anodyne	MAOB	24	41
COc1ccc2c(CN3CC[C@@H](O)C(F)(F)C3)cc(=O)oc2c1	ZINC000852412788	EE	On-Demand	Anodyne	CYP11B1	17	42
COc1ccc2c(CN3CC[C@@H](O)C(F)(F)C3)cc(=O)oc2c1	ZINC000852412788	EE	On-Demand	Anodyne	MAOB	24	41
NC(=O)COc1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852412797	DC	On-Demand	Anodyne	HRH3	19	42
NC(=O)COc1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852412797	DC	On-Demand	Anodyne	SIGMAR1	25	41
NC(=O)COc1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852412798	DC	On-Demand	Anodyne	HRH3	19	42
NC(=O)COc1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852412798	DC	On-Demand	Anodyne	SIGMAR1	25	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1ccc(Cl)cc1F	ZINC000852412835	FE	On-Demand	Reactive	CACNA1I	67	37
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1ccc(Cl)cc1F	ZINC000852412836	FE	On-Demand	Reactive	CACNA1I	67	37
CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852412837	FF	On-Demand	Anodyne	OPRL1	18	46
CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852412837	FF	On-Demand	Anodyne	CCR1	22	42
CC(C)(C)N1CC[C@H]1CNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852412838	FF	On-Demand	Anodyne	OPRL1	18	46
CC(C)(C)N1CC[C@H]1CNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852412838	FF	On-Demand	Anodyne	CCR1	22	42
O=c1cc(CN2CC[C@@H](O)C(F)(F)C2)c2ccc(O)cc2o1	ZINC000852412885	DD	On-Demand	Anodyne	HSD17B3	35	49
O=c1cc(CN2CC[C@H](O)C(F)(F)C2)c2ccc(O)cc2o1	ZINC000852412886	DD	On-Demand	Anodyne	HSD17B3	35	49
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc2ccccc2c1	ZINC000852412899	DE	On-Demand	Anodyne	DRD4	20	43
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc2ccccc2c1	ZINC000852412900	DE	On-Demand	Anodyne	DRD4	20	43
CCCCCCCN1CC[C@@H](O)C(F)(F)C1	ZINC000852412905	BF	On-Demand	Mild	LSS	15	50
CCCCCCCN1CC[C@H](O)C(F)(F)C1	ZINC000852412906	BF	On-Demand	Mild	LSS	15	50
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@](C)(O)c1ccc(F)cc1	ZINC000852412925	EE	On-Demand	Anodyne	CACNA1G	32	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@](C)(O)c1ccc(F)cc1	ZINC000852412926	EE	On-Demand	Anodyne	CACNA1G	32	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@](C)(O)c1ccc(F)cc1	ZINC000852412927	EE	On-Demand	Anodyne	CACNA1G	32	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@](C)(O)c1ccc(F)cc1	ZINC000852412928	EE	On-Demand	Anodyne	CACNA1G	32	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O	ZINC000852412965	FG	On-Demand	Clean	CACNA1I	55	35
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O	ZINC000852412966	FG	On-Demand	Clean	CACNA1I	55	35
C#CCNC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412975	IE	On-Demand	Mild	MMP2	28	45
C#CCNC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412975	IE	On-Demand	Mild	MMP3	22	46
C#CCNC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412975	IE	On-Demand	Mild	MMP8	42	45
C#CCNC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412975	IE	On-Demand	Mild	MMP9	33	46
C#CCNC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412975	IE	On-Demand	Mild	MMP12	20	40
C#CCNC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412975	IE	On-Demand	Mild	MMP1	28	45
C#CCNC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412975	IE	On-Demand	Mild	DAGLA	33	50
C#CCNC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412975	IE	On-Demand	Mild	RORC	27	42
C#CCNC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412976	IE	On-Demand	Mild	MMP2	28	45
C#CCNC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412976	IE	On-Demand	Mild	MMP3	22	46
C#CCNC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412976	IE	On-Demand	Mild	MMP8	42	45
C#CCNC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412976	IE	On-Demand	Mild	MMP9	33	46
C#CCNC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412976	IE	On-Demand	Mild	MMP12	20	40
C#CCNC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412976	IE	On-Demand	Mild	MMP1	28	45
C#CCNC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412976	IE	On-Demand	Mild	DAGLA	33	50
C#CCNC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852412976	IE	On-Demand	Mild	RORC	27	42
CC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852412987	EE	On-Demand	Anodyne	GPR119	36	40
CC(C)(C)OC(=O)N1CCC(CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852412988	EE	On-Demand	Anodyne	GPR119	36	40
CC[C@@H](C(=O)NNC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1	ZINC000852413008	EE	On-Demand	Reactive	KCNQ2	45	41
CC[C@@H](C(=O)NNC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1	ZINC000852413009	EE	On-Demand	Reactive	KCNQ2	45	41
CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1	ZINC000852413014	GG	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1	ZINC000852413015	GG	On-Demand	Anodyne	CACNA1I	49	33
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852413028	GD	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1	ZINC000852413029	GD	On-Demand	Anodyne	CACNA1I	41	33
O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852413040	IG	On-Demand	Anodyne	DGAT1	43	44
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1	ZINC000852413053	FF	On-Demand	Anodyne	CCR2	64	36
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1	ZINC000852413054	FF	On-Demand	Anodyne	CCR2	64	36
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1	ZINC000852413055	FF	On-Demand	Anodyne	CCR2	64	36
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1	ZINC000852413056	FF	On-Demand	Anodyne	CCR2	64	36
COc1ccc(N2CCC(NC(=O)NC[C@H]3CCN3C(C)(C)C)CC2)cc1	ZINC000852413081	FF	On-Demand	Clean	EPHX2	28	44
COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCN3C(C)(C)C)CC2)cc1	ZINC000852413082	FF	On-Demand	Clean	EPHX2	28	44
CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852413155	FE	On-Demand	Anodyne	ACE	30	41
CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852413155	FE	On-Demand	Anodyne	MME	19	41
CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852413156	FE	On-Demand	Anodyne	ACE	30	41
CC(C)(C)N1CC[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852413156	FE	On-Demand	Anodyne	MME	19	41
CC(C)(C)N1CC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852413157	FE	On-Demand	Anodyne	ACE	30	41
CC(C)(C)N1CC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852413157	FE	On-Demand	Anodyne	MME	19	41
CC(C)(C)N1CC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852413158	FE	On-Demand	Anodyne	ACE	30	41
CC(C)(C)N1CC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852413158	FE	On-Demand	Anodyne	MME	19	41
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	MMP2	29	45
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	MMP3	23	46
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	MMP8	40	45
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	CAPN1	33	40
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	MMP9	34	46
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	CAPN2	61	35
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	MMP12	21	42
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	MMP1	28	45
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	DAGLA	32	50
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413165	JG	On-Demand	Anodyne	RORC	32	44
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	MMP2	29	45
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	MMP3	23	46
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	MMP8	40	45
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	CAPN1	33	40
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	MMP9	34	46
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	CAPN2	61	35
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	MMP12	21	42
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	MMP1	28	45
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	DAGLA	32	50
CC[C@H](C)NC(=O)[C@H](C)OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000852413167	JG	On-Demand	Anodyne	RORC	32	44
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852413173	FE	On-Demand	Reactive	CACNA1I	60	33
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852413174	FE	On-Demand	Reactive	CACNA1I	60	33
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@](C)(O)c1cccs1	ZINC000852413179	EE	On-Demand	Anodyne	CHRM1	20	41
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@](C)(O)c1cccs1	ZINC000852413180	EE	On-Demand	Anodyne	CHRM1	20	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@](C)(O)c1cccs1	ZINC000852413181	EE	On-Demand	Anodyne	CHRM1	20	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@](C)(O)c1cccs1	ZINC000852413182	EE	On-Demand	Anodyne	CHRM1	20	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1ccccc1Cl	ZINC000852413225	EF	On-Demand	Anodyne	OPRL1	38	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1ccccc1Cl	ZINC000852413225	EF	On-Demand	Anodyne	CACNA1I	46	35
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1ccccc1Cl	ZINC000852413226	EF	On-Demand	Anodyne	OPRL1	38	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1ccccc1Cl	ZINC000852413226	EF	On-Demand	Anodyne	CACNA1I	46	35
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1ccccc1Cl	ZINC000852413227	EF	On-Demand	Anodyne	OPRL1	38	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1ccccc1Cl	ZINC000852413227	EF	On-Demand	Anodyne	CACNA1I	46	35
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1ccccc1Cl	ZINC000852413228	EF	On-Demand	Anodyne	OPRL1	38	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1ccccc1Cl	ZINC000852413228	EF	On-Demand	Anodyne	CACNA1I	46	35
COc1cccc([C@H](O)CNC(=O)NC[C@H]2CCN2C(C)(C)C)c1	ZINC000852413233	ED	On-Demand	Anodyne	DRD4	40	31
COc1cccc([C@H](O)CNC(=O)NC[C@@H]2CCN2C(C)(C)C)c1	ZINC000852413234	ED	On-Demand	Anodyne	DRD4	40	31
O=C(CN1CC[C@H](O)C(F)(F)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852413271	GC	On-Demand	Bother	SSTR1	52	49
O=C(CN1CC[C@H](O)C(F)(F)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852413271	GC	On-Demand	Bother	SLC27A4	41	31
O=C(CN1CC[C@@H](O)C(F)(F)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852413272	GC	On-Demand	Bother	SSTR1	52	49
O=C(CN1CC[C@@H](O)C(F)(F)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852413272	GC	On-Demand	Bother	SLC27A4	41	31
O=C(c1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1)N1CCCC1	ZINC000852413275	DE	On-Demand	Anodyne	HRH3	22	47
O=C(c1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1)N1CCCC1	ZINC000852413275	DE	On-Demand	Anodyne	SIGMAR1	21	41
O=C(c1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1)N1CCCC1	ZINC000852413275	DE	On-Demand	Anodyne	SLC18A3	15	40
O=C(c1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1)N1CCCC1	ZINC000852413275	DE	On-Demand	Anodyne	L3MBTL3	98	57
O=C(c1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1)N1CCCC1	ZINC000852413276	DE	On-Demand	Anodyne	HRH3	22	47
O=C(c1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1)N1CCCC1	ZINC000852413276	DE	On-Demand	Anodyne	SIGMAR1	21	41
O=C(c1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1)N1CCCC1	ZINC000852413276	DE	On-Demand	Anodyne	SLC18A3	15	40
O=C(c1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1)N1CCCC1	ZINC000852413276	DE	On-Demand	Anodyne	L3MBTL3	98	57
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852413307	FG	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852413307	FG	On-Demand	Anodyne	TRPM8	17	46
CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852413308	FG	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852413308	FG	On-Demand	Anodyne	TRPM8	17	46
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852413309	FG	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852413309	FG	On-Demand	Anodyne	TRPM8	17	46
CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852413310	FG	On-Demand	Anodyne	EPHX2	19	48
CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852413310	FG	On-Demand	Anodyne	TRPM8	17	46
O[C@@H]1CCN(Cc2ccc(Cl)nc2)CC1(F)F	ZINC000852413333	CD	On-Demand	Anodyne	CHRNA3	15	42
O[C@@H]1CCN(Cc2ccc(Cl)nc2)CC1(F)F	ZINC000852413333	CD	On-Demand	Anodyne	CHRNA4	24	42
O[C@@H]1CCN(Cc2ccc(Cl)nc2)CC1(F)F	ZINC000852413333	CD	On-Demand	Anodyne	Q8WSF8_APLCA	44	42
O[C@@H]1CCN(Cc2ccc(Cl)nc2)CC1(F)F	ZINC000852413333	CD	On-Demand	Anodyne	NACHRBETA2	51	42
O[C@H]1CCN(Cc2ccc(Cl)nc2)CC1(F)F	ZINC000852413334	CD	On-Demand	Anodyne	CHRNA3	15	42
O[C@H]1CCN(Cc2ccc(Cl)nc2)CC1(F)F	ZINC000852413334	CD	On-Demand	Anodyne	CHRNA4	24	42
O[C@H]1CCN(Cc2ccc(Cl)nc2)CC1(F)F	ZINC000852413334	CD	On-Demand	Anodyne	Q8WSF8_APLCA	44	42
O[C@H]1CCN(Cc2ccc(Cl)nc2)CC1(F)F	ZINC000852413334	CD	On-Demand	Anodyne	NACHRBETA2	51	42
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1cccnc1Cl	ZINC000852413347	DD	On-Demand	Anodyne	G2YM83_BOTF4	67	34
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1cccnc1Cl	ZINC000852413348	DD	On-Demand	Anodyne	G2YM83_BOTF4	67	34
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852413363	EE	On-Demand	Anodyne	CCR1	17	41
CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852413364	EE	On-Demand	Anodyne	CCR1	17	41
CC(C)(C)N1CC[C@H]1CNC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852413365	EE	On-Demand	Anodyne	CCR1	17	41
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852413366	EE	On-Demand	Anodyne	CCR1	17	41
CC(=O)Nc1ccc2c(CN3CC[C@H](O)C(F)(F)C3)cc(=O)oc2c1	ZINC000852413367	FD	On-Demand	Anodyne	MCHR1	23	41
CC(=O)Nc1ccc2c(CN3CC[C@@H](O)C(F)(F)C3)cc(=O)oc2c1	ZINC000852413368	FD	On-Demand	Anodyne	MCHR1	23	41
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@](C)(O)c1cccc(Cl)c1	ZINC000852413369	FF	On-Demand	Anodyne	CACNA1I	54	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@](C)(O)c1cccc(Cl)c1	ZINC000852413370	FF	On-Demand	Anodyne	CACNA1I	54	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@](C)(O)c1cccc(Cl)c1	ZINC000852413371	FF	On-Demand	Anodyne	CACNA1I	54	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@](C)(O)c1cccc(Cl)c1	ZINC000852413372	FF	On-Demand	Anodyne	CACNA1I	54	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NNc1cc(Cl)ccn1	ZINC000852413389	DE	On-Demand	Reactive	CACNA1I	45	34
CC(C)(C)N1CC[C@H]1CNC(=O)NNc1cc(Cl)ccn1	ZINC000852413390	DE	On-Demand	Reactive	CACNA1I	45	34
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@](C)(O)c1ccccc1	ZINC000852413407	DE	On-Demand	Anodyne	CYP2J2	46	35
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@](C)(O)c1ccccc1	ZINC000852413408	DE	On-Demand	Anodyne	CYP2J2	46	35
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@](C)(O)c1ccccc1	ZINC000852413409	DE	On-Demand	Anodyne	CYP2J2	46	35
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@](C)(O)c1ccccc1	ZINC000852413410	DE	On-Demand	Anodyne	CYP2J2	46	35
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1cc(F)cc(Cl)c1	ZINC000852413419	FF	On-Demand	Anodyne	CACNA1I	63	36
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1cc(F)cc(Cl)c1	ZINC000852413420	FF	On-Demand	Anodyne	CACNA1I	63	36
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1	ZINC000852413421	FF	On-Demand	Anodyne	CACNA1I	63	36
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1	ZINC000852413422	FF	On-Demand	Anodyne	CACNA1I	63	36
CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852413437	GD	On-Demand	Anodyne	PRSS2	40	30
CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852413437	GD	On-Demand	Anodyne	EPHX2	18	42
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852413438	GD	On-Demand	Anodyne	PRSS2	40	30
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852413438	GD	On-Demand	Anodyne	EPHX2	18	42
O=C(CN1CC[C@@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852413445	CD	On-Demand	Anodyne	CTSB	21	40
O=C(CN1CC[C@@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852413445	CD	On-Demand	Anodyne	CTSK	19	40
O=C(CN1CC[C@@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852413445	CD	On-Demand	Anodyne	SLC12A5	68	38
O=C(CN1CC[C@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852413446	CD	On-Demand	Anodyne	CTSB	21	40
O=C(CN1CC[C@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852413446	CD	On-Demand	Anodyne	CTSK	19	40
O=C(CN1CC[C@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852413446	CD	On-Demand	Anodyne	SLC12A5	68	38
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852413467	FD	On-Demand	Anodyne	ADRB2	20	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852413467	FD	On-Demand	Anodyne	ADRB1	32	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852413467	FD	On-Demand	Anodyne	ADRB3	20	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852413467	FD	On-Demand	Anodyne	CHRNA10	31	42
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852413468	FD	On-Demand	Anodyne	ADRB2	20	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852413468	FD	On-Demand	Anodyne	ADRB1	32	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852413468	FD	On-Demand	Anodyne	ADRB3	20	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852413468	FD	On-Demand	Anodyne	CHRNA10	31	42
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852413469	FD	On-Demand	Anodyne	ADRB2	20	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852413469	FD	On-Demand	Anodyne	ADRB1	32	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852413469	FD	On-Demand	Anodyne	ADRB3	20	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852413469	FD	On-Demand	Anodyne	CHRNA10	31	42
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852413470	FD	On-Demand	Anodyne	ADRB2	20	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852413470	FD	On-Demand	Anodyne	ADRB1	32	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852413470	FD	On-Demand	Anodyne	ADRB3	20	40
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852413470	FD	On-Demand	Anodyne	CHRNA10	31	42
O=C(CN1CC[C@@H](O)C(F)(F)C1)NNC(=O)c1ccccc1	ZINC000852413471	DC	On-Demand	Reactive	DRD4	19	40
O=C(CN1CC[C@H](O)C(F)(F)C1)NNC(=O)c1ccccc1	ZINC000852413472	DC	On-Demand	Reactive	DRD4	19	40
O[C@@H]1CCN(CCOc2cccc(F)c2)CC1(F)F	ZINC000852413473	CD	On-Demand	Anodyne	LTA4H	32	40
O[C@@H]1CCN(CCOc2cccc(F)c2)CC1(F)F	ZINC000852413473	CD	On-Demand	Anodyne	CHRNA10	51	46
O[C@H]1CCN(CCOc2cccc(F)c2)CC1(F)F	ZINC000852413474	CD	On-Demand	Anodyne	LTA4H	32	40
O[C@H]1CCN(CCOc2cccc(F)c2)CC1(F)F	ZINC000852413474	CD	On-Demand	Anodyne	CHRNA10	51	46
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl	ZINC000852413527	FG	On-Demand	Anodyne	CACNA1I	67	39
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl	ZINC000852413528	FG	On-Demand	Anodyne	CACNA1I	67	39
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl	ZINC000852413529	FG	On-Demand	Anodyne	CACNA1I	67	39
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl	ZINC000852413530	FG	On-Demand	Anodyne	CACNA1I	67	39
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	ZINC000852413547	GE	On-Demand	Reactive	EPHX2	41	36
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	ZINC000852413548	GE	On-Demand	Reactive	EPHX2	41	36
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)c1cccc2ncccc12	ZINC000852413563	FE	On-Demand	Reactive	PREP	16	43
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)c1cccc2ncccc12	ZINC000852413564	FE	On-Demand	Reactive	PREP	16	43
O=C(CCN1CC[C@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852413569	FD	On-Demand	Anodyne	MTOR	51	36
O=C(CCN1CC[C@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852413569	FD	On-Demand	Anodyne	EPHX2	24	44
O=C(CCN1CC[C@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852413569	FD	On-Demand	Anodyne	STAT6	49	34
O=C(CCN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852413570	FD	On-Demand	Anodyne	MTOR	51	36
O=C(CCN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852413570	FD	On-Demand	Anodyne	EPHX2	24	44
O=C(CCN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852413570	FD	On-Demand	Anodyne	STAT6	49	34
O[C@H](CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852413589	CD	On-Demand	Anodyne	SLC6A3	16	44
O[C@H](CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852413589	CD	On-Demand	Anodyne	SLC18A3	17	47
O[C@@H](CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852413590	CD	On-Demand	Anodyne	SLC6A3	16	44
O[C@@H](CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852413590	CD	On-Demand	Anodyne	SLC18A3	17	47
O[C@H]1CCN(C[C@H](O)c2ccccc2)CC1(F)F	ZINC000852413591	CD	On-Demand	Anodyne	SLC6A3	16	44
O[C@H]1CCN(C[C@H](O)c2ccccc2)CC1(F)F	ZINC000852413591	CD	On-Demand	Anodyne	SLC18A3	17	47
O[C@H](CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852413592	CD	On-Demand	Anodyne	SLC6A3	16	44
O[C@H](CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852413592	CD	On-Demand	Anodyne	SLC18A3	17	47
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](O)C(F)(F)C2)c1	ZINC000852413601	EC	On-Demand	Anodyne	CCR3	20	46
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](O)C(F)(F)C2)c1	ZINC000852413602	EC	On-Demand	Anodyne	CCR3	20	46
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852413633	EF	On-Demand	Anodyne	DRD4	15	45
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852413633	EF	On-Demand	Anodyne	CHRNA7	17	46
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852413633	EF	On-Demand	Anodyne	PRNP	39	41
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852413633	EF	On-Demand	Anodyne	SLC1A2	18	40
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852413634	EF	On-Demand	Anodyne	DRD4	15	45
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852413634	EF	On-Demand	Anodyne	CHRNA7	17	46
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852413634	EF	On-Demand	Anodyne	PRNP	39	41
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852413634	EF	On-Demand	Anodyne	SLC1A2	18	40
COc1ccccc1[C@@H](O)CNC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852413636	ED	On-Demand	Anodyne	DRD2	24	40
COc1ccccc1[C@@H](O)CNC(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852413636	ED	On-Demand	Anodyne	MBTPS1	50	33
COc1ccccc1[C@@H](O)CNC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852413638	ED	On-Demand	Anodyne	DRD2	24	40
COc1ccccc1[C@@H](O)CNC(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852413638	ED	On-Demand	Anodyne	MBTPS1	50	33
O=C(CN1CC[C@H](O)C(F)(F)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852413645	FD	On-Demand	Anodyne	DRD4	26	40
O=C(CN1CC[C@@H](O)C(F)(F)C1)Nc1ccccc1C(=O)NC1CC1	ZINC000852413646	FD	On-Demand	Anodyne	DRD4	26	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000852413661	FG	On-Demand	Anodyne	CACNA1I	59	39
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000852413662	FG	On-Demand	Anodyne	CACNA1I	59	39
CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000852413663	FG	On-Demand	Anodyne	CACNA1I	59	39
CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000852413664	FG	On-Demand	Anodyne	CACNA1I	59	39
C[C@@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852413685	CD	On-Demand	Anodyne	CYP2J2	47	36
COC1CC(CCNC(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000852413771	GG	On-Demand	Anodyne	SIRT2	21	40
COC1CC(CCNC(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1	ZINC000852413771	GG	On-Demand	Anodyne	SIRT1	19	40
COC(=O)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000852413772	EE	On-Demand	Bother	CACNA1C	57	41
COC(=O)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000852413772	EE	On-Demand	Bother	CACNA1D	84	38
COC(=O)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000852413774	EE	On-Demand	Bother	CACNA1C	57	41
COC(=O)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000852413774	EE	On-Demand	Bother	CACNA1D	84	38
COC(=O)CN(CC[C@H](O)c1ccccc1)C1CCCCC1	ZINC000852413799	DF	On-Demand	Anodyne	SLC6A3	25	40
COC(=O)CN(CC[C@H](O)c1ccccc1)C1CCCCC1	ZINC000852413799	DF	On-Demand	Anodyne	AMY2	51	35
COC(=O)CN(CC[C@@H](O)c1ccccc1)C1CCCCC1	ZINC000852413801	DF	On-Demand	Anodyne	SLC6A3	25	40
COC(=O)CN(CC[C@@H](O)c1ccccc1)C1CCCCC1	ZINC000852413801	DF	On-Demand	Anodyne	AMY2	51	35
COC(=O)CN(CC(=O)Nc1ccc2nc(O)[nH]c2c1)C1CCCCC1	ZINC000852413806	FE	On-Demand	Anodyne	ENPP1	46	32
COC(=O)CN(C[C@H](O)c1ccc(F)cc1)C1CCCCC1	ZINC000852413807	DF	On-Demand	Anodyne	SLC6A3	25	44
COC(=O)CN(CC(=O)NOCc1ccccc1)C1CCCCC1	ZINC000852413814	EE	On-Demand	Anodyne	AMY2	46	31
COC(=O)CN(CC(=O)NOCc1ccccc1)C1CCCCC1	ZINC000852413814	EE	On-Demand	Anodyne	SLC12A5	56	38
COC(=O)CN(CC(=O)NNC(=O)c1ccccc1Cl)C1CCCCC1	ZINC000852413817	GD	On-Demand	Reactive	ACE	52	36
COC(=O)CN(C[C@@H](O)c1ccc(F)cc1)C1CCCCC1	ZINC000852413823	DF	On-Demand	Anodyne	SLC6A3	25	44
COC1CC(CCNC(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852413852	GG	On-Demand	Anodyne	GPR119	38	45
COC(=O)CN(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1	ZINC000852413867	FE	On-Demand	Clean	TPSAB1	16	41
COC1CC(CCNC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)C1	ZINC000852413889	FG	On-Demand	Anodyne	EPHX2	20	43
COC(=O)CN(C[C@H](O)c1cccnc1)C1CCCCC1	ZINC000852413912	CD	On-Demand	Anodyne	ADRB1	15	43
COC(=O)CN(C[C@H](O)c1cccnc1)C1CCCCC1	ZINC000852413912	CD	On-Demand	Anodyne	ADRB3	62	49
COC(=O)CN(C[C@H](O)c1cccnc1)C1CCCCC1	ZINC000852413912	CD	On-Demand	Anodyne	KCNA5	24	48
COC(=O)CN(C[C@@H](O)c1cccnc1)C1CCCCC1	ZINC000852413915	CD	On-Demand	Anodyne	ADRB1	15	43
COC(=O)CN(C[C@@H](O)c1cccnc1)C1CCCCC1	ZINC000852413915	CD	On-Demand	Anodyne	ADRB3	62	49
COC(=O)CN(C[C@@H](O)c1cccnc1)C1CCCCC1	ZINC000852413915	CD	On-Demand	Anodyne	KCNA5	24	48
COC(=O)CN(Cc1cc(F)ccc1[N+](=O)[O-])C1CCCCC1	ZINC000852413940	DG	On-Demand	Bother	COLA	69	38
COC(=O)CN(CC(=O)Nc1cccnc1Cl)C1CCCCC1	ZINC000852413950	EE	On-Demand	Anodyne	G2YM83_BOTF4	70	37
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	CA2	108	47
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	CA1	96	47
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	CA7	64	42
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	CA4	83	47
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	CA5A	34	42
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	CA14	59	43
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	CA12	73	44
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	CA9	78	44
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	NCE103	20	41
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	P96878_MYCTU	43	39
COC(=O)CN(CCc1ccc(S(N)(=O)=O)cc1)C1CCCCC1	ZINC000852413968	FD	On-Demand	Anodyne	A6YCJ1_9METZ	22	40
COC(=O)CN(Cc1nc2ccccc2[nH]1)C1CCCCC1	ZINC000852414060	DF	On-Demand	Anodyne	CXCR4	44	49
COC(=O)CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000852414062	FD	On-Demand	Reactive	ITK	20	41
COC(=O)CN(CC(=O)NCc1ccc(NC(=O)OC)cc1)C1CCCCC1	ZINC000852414068	GE	On-Demand	Anodyne	TPSAB1	17	40
O=C(CCN1CC[C@@H](O)C(F)(F)C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852414098	ED	On-Demand	Bother	WDR5	35	40
O=C(CCN1CC[C@H](O)C(F)(F)C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000852414099	ED	On-Demand	Bother	WDR5	35	40
O=C(c1cccc(CN2CC[C@@H](O)C(F)(F)C2)c1)C(F)(F)F	ZINC000852414105	DF	On-Demand	Anodyne	ACHE	20	50
O=C(c1cccc(CN2CC[C@H](O)C(F)(F)C2)c1)C(F)(F)F	ZINC000852414106	DF	On-Demand	Anodyne	ACHE	20	50
CN(C[C@@]1(O)CCc2ccccc21)C(=O)NC[C@@H]1CCN1C(C)(C)C	ZINC000852414181	EE	On-Demand	Anodyne	OXTR	42	33
CN(C[C@@]1(O)CCc2ccccc21)C(=O)NC[C@H]1CCN1C(C)(C)C	ZINC000852414186	EE	On-Demand	Anodyne	OXTR	42	33
COC(=O)CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)C1CCCCC1	ZINC000852414196	GE	On-Demand	Anodyne	CNR2	24	41
CCCCCCCCN[C@@H]1CCO[C@@H]1C(=O)OC	ZINC000852414206	CE	On-Demand	Mild	GLB1	31	40
CCCCCCCCN[C@@H]1CCO[C@@H]1C(=O)OC	ZINC000852414206	CE	On-Demand	Mild	GBA	19	40
O[C@@H]1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1(F)F	ZINC000852414221	EF	On-Demand	Anodyne	LUCI_PHOPY	77	47
O[C@H]1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1(F)F	ZINC000852414223	EF	On-Demand	Anodyne	LUCI_PHOPY	77	47
O[C@H]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1(F)F	ZINC000852414225	EF	On-Demand	Anodyne	LUCI_PHOPY	77	47
O[C@@H]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1(F)F	ZINC000852414227	EF	On-Demand	Anodyne	LUCI_PHOPY	77	47
CCOC(=O)C1=C(CN(CC(=O)OC)C2CCCCC2)NC(=O)N[C@@H]1C	ZINC000852414243	FD	On-Demand	Anodyne	SLC27A4	51	30
CCOC(=O)C1=C(CN(CC(=O)OC)C2CCCCC2)NC(=O)N[C@H]1C	ZINC000852414244	FD	On-Demand	Anodyne	SLC27A4	51	30
COC1CC(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414252	EE	On-Demand	Anodyne	MME	47	37
COC1CC(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414252	EE	On-Demand	Anodyne	ANPEP	51	32
COC1CC(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414252	EE	On-Demand	Anodyne	NPFFR2	41	36
COC1CC(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414252	EE	On-Demand	Anodyne	TIMP3	51	38
COC1CC(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414252	EE	On-Demand	Anodyne	PLAU	41	35
COC1CC(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414252	EE	On-Demand	Anodyne	NPFFR1	61	36
CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852414253	GG	On-Demand	Anodyne	EPHX2	20	43
COC1CC(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414254	EE	On-Demand	Anodyne	MME	47	37
COC1CC(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414254	EE	On-Demand	Anodyne	ANPEP	51	32
COC1CC(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414254	EE	On-Demand	Anodyne	NPFFR2	41	36
COC1CC(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414254	EE	On-Demand	Anodyne	TIMP3	51	38
COC1CC(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414254	EE	On-Demand	Anodyne	PLAU	41	35
COC1CC(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852414254	EE	On-Demand	Anodyne	NPFFR1	61	36
CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852414255	GG	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852414263	FF	On-Demand	Reactive	EPHX2	42	44
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852414263	FF	On-Demand	Reactive	CACNA1I	53	34
COC(=O)CN(Cc1nc(C)c2ccccc2n1)C1CCCCC1	ZINC000852414271	EG	On-Demand	Anodyne	TACR3	23	40
COC(=O)CN(Cc1ccc(-n2ccnc2)nc1)C1CCCCC1	ZINC000852414280	EF	On-Demand	Anodyne	NOS2	65	39
COc1ccc(N2CC[C@H](NC(=O)NCCC3CC(OC)C3)C2)cc1	ZINC000852414283	EE	On-Demand	Clean	MTNR1A	19	45
COC(=O)CN(CC[C@@H]1CCOC1=O)C1CCCCC1	ZINC000852414298	CD	On-Demand	Anodyne	TRAR	50	30
COC(=O)CN(CC[C@H]1CCOC1=O)C1CCCCC1	ZINC000852414299	CD	On-Demand	Anodyne	TRAR	50	30
COC(=O)CN(Cc1cc(=O)oc2cc(O)ccc12)C1CCCCC1	ZINC000852414301	EF	On-Demand	Anodyne	HSD17B3	35	51
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852414303	FF	On-Demand	Reactive	EPHX2	42	44
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852414303	FF	On-Demand	Reactive	CACNA1I	53	34
CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O	ZINC000852414335	EF	On-Demand	Clean	CACNA1I	54	35
CC(C)(C)N1CC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O	ZINC000852414336	EF	On-Demand	Clean	CACNA1I	54	35
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA2	58	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA6	17	40
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA1	57	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA7	33	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA13	15	40
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA4	36	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA12	41	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA9	48	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CAH_METTE	19	40
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	NCE103	20	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	CA15	16	40
NS(=O)(=O)c1ccc(CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414353	DC	On-Demand	Anodyne	A6YCJ1_9METZ	22	40
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA2	58	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA6	17	40
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA1	57	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA7	33	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA13	15	40
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA4	36	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA12	41	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA9	48	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CAH_METTE	19	40
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	NCE103	20	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	CA15	16	40
NS(=O)(=O)c1ccc(CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414354	DC	On-Demand	Anodyne	A6YCJ1_9METZ	22	40
COc1ccc2c(c1)CN(C(=O)NC[C@@H]1CCN1C(C)(C)C)CCO2	ZINC000852414359	EE	On-Demand	Anodyne	MTNR1A	20	43
COc1ccc2c(c1)CN(C(=O)NC[C@H]1CCN1C(C)(C)C)CCO2	ZINC000852414360	EE	On-Demand	Anodyne	MTNR1A	20	43
NC(=O)[C@](O)(CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414382	DC	On-Demand	Anodyne	CHRM2	24	41
NC(=O)[C@](O)(CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414382	DC	On-Demand	Anodyne	CHRM1	23	41
NC(=O)[C@](O)(CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414382	DC	On-Demand	Anodyne	CHRM3	43	41
NC(=O)[C@](O)(CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414382	DC	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414383	DC	On-Demand	Anodyne	CHRM2	24	41
NC(=O)[C@@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414383	DC	On-Demand	Anodyne	CHRM1	23	41
NC(=O)[C@@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414383	DC	On-Demand	Anodyne	CHRM3	43	41
NC(=O)[C@@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414383	DC	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@@](O)(CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414384	DC	On-Demand	Anodyne	CHRM2	24	41
NC(=O)[C@@](O)(CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414384	DC	On-Demand	Anodyne	CHRM1	23	41
NC(=O)[C@@](O)(CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414384	DC	On-Demand	Anodyne	CHRM3	43	41
NC(=O)[C@@](O)(CN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414384	DC	On-Demand	Anodyne	CYP2J2	47	33
NC(=O)[C@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414385	DC	On-Demand	Anodyne	CHRM2	24	41
NC(=O)[C@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414385	DC	On-Demand	Anodyne	CHRM1	23	41
NC(=O)[C@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414385	DC	On-Demand	Anodyne	CHRM3	43	41
NC(=O)[C@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414385	DC	On-Demand	Anodyne	CYP2J2	47	33
COC(=O)CN(C[C@H](O)c1cccnc1)C1CCOCC1	ZINC000852414394	CC	On-Demand	Anodyne	ADRB3	49	41
COC(=O)CN(C[C@H](O)c1cccnc1)C1CCOCC1	ZINC000852414394	CC	On-Demand	Anodyne	KCNA5	22	46
COC(=O)CN(C[C@@H](O)c1cccnc1)C1CCOCC1	ZINC000852414395	CC	On-Demand	Anodyne	ADRB3	49	41
COC(=O)CN(C[C@@H](O)c1cccnc1)C1CCOCC1	ZINC000852414395	CC	On-Demand	Anodyne	KCNA5	22	46
CC(=O)Oc1ccc(CN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414396	CD	On-Demand	Anodyne	SIGMAR1	32	41
CC(=O)Oc1ccc(CN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414397	CD	On-Demand	Anodyne	SIGMAR1	32	41
COC(=O)CN(CC(=O)Nc1ccccc1C(N)=O)C1CCCCC1	ZINC000852414407	ED	On-Demand	Anodyne	ACE	40	36
COC(=O)CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000852414409	GD	On-Demand	Reactive	SLC27A4	49	35
COC(=O)CN(Cc1cccc(SC(=O)N(C)C)c1)C1CCCCC1	ZINC000852414433	FH	On-Demand	Anodyne	ACE	19	40
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	MME	34	42
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	KLK3	55	34
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	CTSB	56	41
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	PAPA1_CARPA	72	35
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	CYSP_TRYCR	42	37
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	CTSK	32	40
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	CAPNS1	64	36
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	HLA-DRB1	41	33
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	CAPN1	83	39
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	CAPN2	124	38
COC1CC(CCNC(=O)N[C@H](C)C(=O)OCc2ccccc2)C1	ZINC000852414448	EE	On-Demand	Anodyne	NPR	79	37
COC(=O)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1	ZINC000852414456	FF	On-Demand	Bother	COLA	60	40
COC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414471	ED	On-Demand	Anodyne	CHRM2	20	40
COC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414471	ED	On-Demand	Anodyne	CHRM1	17	40
COC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414471	ED	On-Demand	Anodyne	ACE	48	37
COC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414471	ED	On-Demand	Anodyne	CHRM4	23	40
COC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414471	ED	On-Demand	Anodyne	CHRM3	31	40
COC(=O)CN(C[C@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414471	ED	On-Demand	Anodyne	AMY2	67	40
COC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414472	ED	On-Demand	Anodyne	CHRM2	20	40
COC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414472	ED	On-Demand	Anodyne	CHRM1	17	40
COC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414472	ED	On-Demand	Anodyne	ACE	48	37
COC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414472	ED	On-Demand	Anodyne	CHRM4	23	40
COC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414472	ED	On-Demand	Anodyne	CHRM3	31	40
COC(=O)CN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCCCC1	ZINC000852414472	ED	On-Demand	Anodyne	AMY2	67	40
COC(=O)CN(Cc1nnc(-c2cccc(F)c2)o1)C1CCCCC1	ZINC000852414499	EG	On-Demand	Anodyne	SCARB1	20	40
COC(=O)/C=C\c1ccc(OCCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414503	ED	On-Demand	Anodyne	LTA4H	28	41
COC(=O)/C=C\c1ccc(OCCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852414503	ED	On-Demand	Anodyne	HRH3	18	41
COC(=O)/C=C\c1ccc(OCCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414505	ED	On-Demand	Anodyne	LTA4H	28	41
COC(=O)/C=C\c1ccc(OCCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852414505	ED	On-Demand	Anodyne	HRH3	18	41
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414515	EF	On-Demand	Anodyne	GPR119	35	42
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414516	EF	On-Demand	Anodyne	GPR119	35	42
O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@H](O)C(F)(F)C1	ZINC000852414546	FF	On-Demand	Anodyne	HTR1A	20	50
O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@H](O)C(F)(F)C1	ZINC000852414546	FF	On-Demand	Anodyne	CHRM1	15	40
O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@H](O)C(F)(F)C1	ZINC000852414546	FF	On-Demand	Anodyne	HTR7	19	42
O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@@H](O)C(F)(F)C1	ZINC000852414547	FF	On-Demand	Anodyne	HTR1A	20	50
O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@@H](O)C(F)(F)C1	ZINC000852414547	FF	On-Demand	Anodyne	CHRM1	15	40
O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@@H](O)C(F)(F)C1	ZINC000852414547	FF	On-Demand	Anodyne	HTR7	19	42
CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414561	FD	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414562	FD	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414563	FD	On-Demand	Anodyne	GPR119	32	41
CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414564	FD	On-Demand	Anodyne	GPR119	32	41
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414593	FF	On-Demand	Anodyne	GRIN2B	52	51
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414593	FF	On-Demand	Anodyne	CCR5	30	40
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414593	FF	On-Demand	Anodyne	PREP	23	41
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414593	FF	On-Demand	Anodyne	TGM2	32	45
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414593	FF	On-Demand	Anodyne	F13A1	38	45
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414593	FF	On-Demand	Anodyne	SLC12A5	49	35
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414594	FF	On-Demand	Anodyne	GRIN2B	52	51
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414594	FF	On-Demand	Anodyne	CCR5	30	40
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414594	FF	On-Demand	Anodyne	PREP	23	41
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414594	FF	On-Demand	Anodyne	TGM2	32	45
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414594	FF	On-Demand	Anodyne	F13A1	38	45
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414594	FF	On-Demand	Anodyne	SLC12A5	49	35
O[C@@H](CN1CC[C@@H](O)C(F)(F)C1)c1ccccc1Cl	ZINC000852414599	CE	On-Demand	Anodyne	OPRL1	47	42
O[C@H]1CCN(C[C@H](O)c2ccccc2Cl)CC1(F)F	ZINC000852414600	CE	On-Demand	Anodyne	OPRL1	47	42
COC(=O)CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCCC1	ZINC000852414612	GF	On-Demand	Bother	SLC27A4	43	34
COC(=O)CN(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CCCCC1	ZINC000852414613	GD	On-Demand	Reactive	ACE	42	36
COC(=O)CN(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CCCCC1	ZINC000852414613	GD	On-Demand	Reactive	CACNA1I	18	41
COC(=O)CN(Cc1cc(=O)oc2cc(OC)ccc12)C1CCCCC1	ZINC000852414616	FG	On-Demand	Anodyne	MAOA	49	39
COC(=O)CN(Cc1cc(=O)oc2cc(OC)ccc12)C1CCCCC1	ZINC000852414616	FG	On-Demand	Anodyne	MAOB	32	41
COC(=O)CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000852414617	GD	On-Demand	Reactive	CACNA1C	49	38
COC(=O)CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000852414617	GD	On-Demand	Reactive	CACNA1D	76	38
COC(=O)CN(C[C@H](O)c1ccccc1)C1CCCCC1	ZINC000852414659	CF	On-Demand	Anodyne	ACE	42	37
COC(=O)CN(C[C@H](O)c1ccccc1)C1CCCCC1	ZINC000852414659	CF	On-Demand	Anodyne	SLC6A3	22	42
COC(=O)CN(C[C@H](O)c1ccccc1)C1CCCCC1	ZINC000852414659	CF	On-Demand	Anodyne	AMY2	49	34
COC(=O)CN(C[C@@H](O)c1ccccc1)C1CCCCC1	ZINC000852414660	CF	On-Demand	Anodyne	ACE	42	37
COC(=O)CN(C[C@@H](O)c1ccccc1)C1CCCCC1	ZINC000852414660	CF	On-Demand	Anodyne	SLC6A3	22	42
COC(=O)CN(C[C@@H](O)c1ccccc1)C1CCCCC1	ZINC000852414660	CF	On-Demand	Anodyne	AMY2	49	34
COc1ccc2c(c1)CN(C(=O)NCCC1CC(OC)C1)CCO2	ZINC000852414673	EE	On-Demand	Anodyne	MTNR1A	25	52
CCOC(=O)N1CCC(NC(=O)CN(CC(=O)OC)C2CCCCC2)CC1	ZINC000852414691	GD	On-Demand	Anodyne	CCR8	15	41
COC(=O)CN(CCP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1	ZINC000852414695	GH	On-Demand	Reactive	AMY2	46	32
O=C(Cc1ccccc1)OCCN1CC[C@@H](O)C(F)(F)C1	ZINC000852414737	CD	On-Demand	Anodyne	LTA4H	23	42
O=C(Cc1ccccc1)OCCN1CC[C@@H](O)C(F)(F)C1	ZINC000852414737	CD	On-Demand	Anodyne	SIGMAR1	35	40
O=C(Cc1ccccc1)OCCN1CC[C@@H](O)C(F)(F)C1	ZINC000852414737	CD	On-Demand	Anodyne	SLC12A5	46	34
O=C(Cc1ccccc1)OCCN1CC[C@H](O)C(F)(F)C1	ZINC000852414738	CD	On-Demand	Anodyne	LTA4H	23	42
O=C(Cc1ccccc1)OCCN1CC[C@H](O)C(F)(F)C1	ZINC000852414738	CD	On-Demand	Anodyne	SIGMAR1	35	40
O=C(Cc1ccccc1)OCCN1CC[C@H](O)C(F)(F)C1	ZINC000852414738	CD	On-Demand	Anodyne	SLC12A5	46	34
CC(C)(C)OC(=O)N1CCC(CCNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1	ZINC000852414754	GG	On-Demand	Anodyne	GPR119	28	42
CC(C)(C)OC(=O)N1CCC(CCNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1	ZINC000852414755	GG	On-Demand	Anodyne	GPR119	28	42
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	ACE	39	40
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	FKBP1A	23	41
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	MME	22	40
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CTRA_BOVIN	61	33
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	KLK3	41	32
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CTSB	55	38
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	PAPA1_CARPA	49	34
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CYSP_TRYCR	47	37
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CTSG	41	33
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CTSL	42	37
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	PREP	21	43
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CAPNS1	72	34
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CELA2A	50	33
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CAPN1	81	38
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	CAPN2	119	38
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	NPR	75	35
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	PSMB5	40	35
C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414760	EE	On-Demand	Anodyne	SLC12A5	66	35
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	ACE	39	40
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	FKBP1A	23	41
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	MME	22	40
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CTRA_BOVIN	61	33
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	KLK3	41	32
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CTSB	55	38
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	PAPA1_CARPA	49	34
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CYSP_TRYCR	47	37
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CTSG	41	33
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CTSL	42	37
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	PREP	21	43
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CAPNS1	72	34
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CELA2A	50	33
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CAPN1	81	38
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	CAPN2	119	38
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	NPR	75	35
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	PSMB5	40	35
C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)OCc1ccccc1	ZINC000852414761	EE	On-Demand	Anodyne	SLC12A5	66	35
COC(=O)CN(Cc1csc(Cl)n1)C1CCCCC1	ZINC000852414811	DG	On-Demand	Anodyne	AVPR1B	18	41
COC(=O)CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCCCC1	ZINC000852414822	GE	On-Demand	Anodyne	MTOR	68	38
COC(=O)CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCCCC1	ZINC000852414822	GE	On-Demand	Anodyne	EPHX2	20	44
COC(=O)CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000852414832	EE	On-Demand	Bother	SLC27A4	50	36
COC(=O)CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000852414834	EE	On-Demand	Bother	SLC27A4	50	36
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCCC2CC(OC)C2)C1	ZINC000852414852	FE	On-Demand	Anodyne	ADRA1A	26	43
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCCC2CC(OC)C2)C1	ZINC000852414852	FE	On-Demand	Anodyne	ADRA1B	16	43
COC1CC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852414867	FG	On-Demand	Anodyne	SLC6A3	16	40
COC1CC(CCNC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852414867	FG	On-Demand	Anodyne	ADRB3	17	41
COC1CC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852414869	FG	On-Demand	Anodyne	SLC6A3	16	40
COC1CC(CCNC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852414869	FG	On-Demand	Anodyne	ADRB3	17	41
O[C@H](CCN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414880	CD	On-Demand	Anodyne	SLC6A3	19	50
O[C@H](CCN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414880	CD	On-Demand	Anodyne	CCR5	35	41
COC1CC(CCNC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1	ZINC000852414881	FI	On-Demand	Anodyne	CCR2	45	36
COC1CC(CCNC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1	ZINC000852414881	FI	On-Demand	Anodyne	EPHX2	24	46
O[C@H]1CCN(CC[C@@H](O)c2ccccc2)CC1(F)F	ZINC000852414882	CD	On-Demand	Anodyne	SLC6A3	19	50
O[C@H]1CCN(CC[C@@H](O)c2ccccc2)CC1(F)F	ZINC000852414882	CD	On-Demand	Anodyne	CCR5	35	41
COC1CC(CCNC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1	ZINC000852414883	FI	On-Demand	Anodyne	CCR2	45	36
COC1CC(CCNC(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1	ZINC000852414883	FI	On-Demand	Anodyne	EPHX2	24	46
O[C@@H](CCN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414884	CD	On-Demand	Anodyne	SLC6A3	19	50
O[C@@H](CCN1CC[C@@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414884	CD	On-Demand	Anodyne	CCR5	35	41
COC1CC(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852414885	ED	On-Demand	Anodyne	ADRB2	17	45
COC1CC(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852414885	ED	On-Demand	Anodyne	ADRB1	46	37
COC1CC(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852414885	ED	On-Demand	Anodyne	PDS	33	40
O[C@@H](CCN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414886	CD	On-Demand	Anodyne	SLC6A3	19	50
O[C@@H](CCN1CC[C@H](O)C(F)(F)C1)c1ccccc1	ZINC000852414886	CD	On-Demand	Anodyne	CCR5	35	41
COC1CC(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852414887	ED	On-Demand	Anodyne	ADRB2	17	45
COC1CC(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852414887	ED	On-Demand	Anodyne	ADRB1	46	37
COC1CC(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852414887	ED	On-Demand	Anodyne	PDS	33	40
CC(C)(C)N1CC[C@@H]1CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	ZINC000852414888	FE	On-Demand	Reactive	CACNA1I	45	33
CC(C)(C)N1CC[C@H]1CNC(=O)NNC(=O)Nc1cc(F)cc(F)c1	ZINC000852414891	FE	On-Demand	Reactive	CACNA1I	45	33
COC1CC(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852414944	FE	On-Demand	Anodyne	ACE	27	40
COC1CC(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852414944	FE	On-Demand	Anodyne	ACHE	25	42
COC1CC(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852414944	FE	On-Demand	Anodyne	MME	18	40
COC1CC(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852414947	FE	On-Demand	Anodyne	ACE	27	40
COC1CC(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852414947	FE	On-Demand	Anodyne	ACHE	25	42
COC1CC(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852414947	FE	On-Demand	Anodyne	MME	18	40
COC1CC(CCNC(=O)NNc2ccc(Cl)cn2)C1	ZINC000852414954	CE	On-Demand	Reactive	F10	47	30
C[C@@](O)(CN1CC[C@@H](O)C(F)(F)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000852414959	EC	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852414973	FG	On-Demand	Anodyne	GPR119	33	43
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852414987	FG	On-Demand	Anodyne	GPR119	33	43
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CC[C@H](O)C(F)(F)C2)CC1	ZINC000852415001	FG	On-Demand	Anodyne	CACNA1I	62	35
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CC[C@@H](O)C(F)(F)C2)CC1	ZINC000852415004	FG	On-Demand	Anodyne	CACNA1I	62	35
COC(=O)CN(CCCON1C(=O)c2ccccc2C1=O)C1CCCCC1	ZINC000852415021	FE	On-Demand	Anodyne	AMY2	47	33
COC(=O)CN(CCS(=O)(=O)Cc1ccccc1)C1CCCCC1	ZINC000852415023	FE	On-Demand	Anodyne	AMY2	46	32
COc1ccc(N2CCC(NC(=O)NCCC3CC(OC)C3)CC2)cc1	ZINC000852415030	FF	On-Demand	Clean	PDK1	40	34
COC(=O)CN(CC(=O)NNC(=O)c1ccc(F)cc1)C1CCCCC1	ZINC000852415047	FD	On-Demand	Reactive	SSTR3	17	40
COC1CC(CCNC(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	ZINC000852415061	EE	On-Demand	Reactive	HTR2A	20	40
CN(C)c1ccc(NC(=O)CCN2CC[C@H](O)C(F)(F)C2)cc1	ZINC000852415069	ED	On-Demand	Anodyne	TERT	15	40
CN(C)c1ccc(NC(=O)CCN2CC[C@@H](O)C(F)(F)C2)cc1	ZINC000852415072	ED	On-Demand	Anodyne	TERT	15	40
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	SSTR2	101	46
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	EDNRA	26	41
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	TACR1	23	42
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	SSTR5	19	40
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	CCKAR	41	39
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	BRS3	25	41
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	NMBR	34	40
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	MC5R	35	41
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	GHSR	47	36
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852415083	JH	On-Demand	Anodyne	KISS1R	54	30
COC(=O)CN(CC(=O)NNC(=O)c1ccccc1)C1CCCCC1	ZINC000852415108	ED	On-Demand	Reactive	AMY2	43	30
COC(=O)CN(CC(=O)NNC(=O)c1cccc(C)c1)C1CCCCC1	ZINC000852415120	FD	On-Demand	Reactive	CTSL	16	41
COC(=O)CN(CC(=O)NNC(=O)c1cccc(C)c1)C1CCCCC1	ZINC000852415120	FD	On-Demand	Reactive	KCNK3	57	38
COC(=O)CN(CC(=O)NNC(=O)c1cccc(C)c1)C1CCCCC1	ZINC000852415120	FD	On-Demand	Reactive	KCNK9	44	38
COC(=O)CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)C1CCCCC1	ZINC000852415129	GE	On-Demand	Mild	TNKS	53	35
COC(=O)CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)C1CCCCC1	ZINC000852415130	GE	On-Demand	Mild	TNKS	53	35
COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000852415233	JI	On-Demand	Anodyne	FDFT1	30	43
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000852415235	JI	On-Demand	Anodyne	FDFT1	30	43
COC1CC(CCNC(=O)N2CCc3c(F)cccc3C2)C1	ZINC000852415264	DF	On-Demand	Anodyne	DRD4	41	32
COC1CC(CCNC(=O)NC[C@@](C)(O)c2cccs2)C1	ZINC000852415278	DE	On-Demand	Anodyne	CHRM2	15	40
COC1CC(CCNC(=O)NC[C@@](C)(O)c2cccs2)C1	ZINC000852415278	DE	On-Demand	Anodyne	CHRM1	18	40
COC1CC(CCNC(=O)NC[C@](C)(O)c2cccs2)C1	ZINC000852415279	DE	On-Demand	Anodyne	CHRM2	15	40
COC1CC(CCNC(=O)NC[C@](C)(O)c2cccs2)C1	ZINC000852415279	DE	On-Demand	Anodyne	CHRM1	18	40
O=C(CCN1CC[C@@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852415336	CD	On-Demand	Anodyne	CTSL	23	41
O=C(CCN1CC[C@@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852415336	CD	On-Demand	Anodyne	SLC12A5	73	39
O=C(CCN1CC[C@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852415337	CD	On-Demand	Anodyne	CTSL	23	41
O=C(CCN1CC[C@H](O)C(F)(F)C1)OCc1ccccc1	ZINC000852415337	CD	On-Demand	Anodyne	SLC12A5	73	39
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](O)C(F)(F)C2)c1	ZINC000852415340	EC	On-Demand	Reactive	DRD4	20	45
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](O)C(F)(F)C2)c1	ZINC000852415340	EC	On-Demand	Reactive	KCNK3	51	36
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](O)C(F)(F)C2)c1	ZINC000852415340	EC	On-Demand	Reactive	KCNK9	42	36
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](O)C(F)(F)C2)c1	ZINC000852415341	EC	On-Demand	Reactive	DRD4	20	45
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](O)C(F)(F)C2)c1	ZINC000852415341	EC	On-Demand	Reactive	KCNK3	51	36
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](O)C(F)(F)C2)c1	ZINC000852415341	EC	On-Demand	Reactive	KCNK9	42	36
O=C(COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)NCC1(c2ccccc2)CC1	ZINC000852415357	JH	On-Demand	Anodyne	KCNA3	41	35
O=C(COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)NCC1(c2ccccc2)CC1	ZINC000852415358	JH	On-Demand	Anodyne	KCNA3	41	35
COC1CC(CCNC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852415370	EF	On-Demand	Anodyne	KCNA3	43	41
COC1CC(CCNC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852415370	EF	On-Demand	Anodyne	EPHX2	21	44
COC1CC(CCNC(=O)N2CCC[C@H](c3ccccc3)CC2)C1	ZINC000852415381	EH	On-Demand	Anodyne	EPHX2	35	40
COC1CC(CCNC(=O)N2CCC[C@H](c3ccccc3)CC2)C1	ZINC000852415381	EH	On-Demand	Anodyne	ADAM10	33	41
COC1CC(CCNC(=O)N2CCC[C@@H](c3ccccc3)CC2)C1	ZINC000852415382	EH	On-Demand	Anodyne	EPHX2	35	40
COC1CC(CCNC(=O)N2CCC[C@@H](c3ccccc3)CC2)C1	ZINC000852415382	EH	On-Demand	Anodyne	ADAM10	33	41
COC1CC(CCNC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)C1	ZINC000852415383	GG	On-Demand	Anodyne	ADRB3	47	40
COC1CC(CCNC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)C1	ZINC000852415383	GG	On-Demand	Anodyne	PDS	54	32
COC1CC(CCNC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)C1	ZINC000852415384	GG	On-Demand	Anodyne	ADRB3	47	40
COC1CC(CCNC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)C1	ZINC000852415384	GG	On-Demand	Anodyne	PDS	54	32
COC1CC(CCNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)C1	ZINC000852415399	FF	On-Demand	Anodyne	ADRA1A	44	36
COC1CC(CCNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1	ZINC000852415400	FF	On-Demand	Anodyne	ADRA1A	44	36
COC1CC(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1	ZINC000852415409	EG	On-Demand	Anodyne	HTR1A	17	47
COC1CC(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1	ZINC000852415409	EG	On-Demand	Anodyne	HTR1D	49	47
COC1CC(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1	ZINC000852415409	EG	On-Demand	Anodyne	HTR1B	39	47
COC1CC(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1	ZINC000852415409	EG	On-Demand	Anodyne	NQO2	22	47
COC1CC(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1	ZINC000852415409	EG	On-Demand	Anodyne	MPO	67	37
COC1CC(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1	ZINC000852415409	EG	On-Demand	Anodyne	MTNR1A	28	58
COC1CC(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1	ZINC000852415409	EG	On-Demand	Anodyne	MTNR1B	15	49
COC1CC(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1	ZINC000852415409	EG	On-Demand	Anodyne	MAPT	16	46
COC1CC(CCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1	ZINC000852415444	GD	On-Demand	Anodyne	EPHX2	19	42
COC1CC(CCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1	ZINC000852415444	GD	On-Demand	Anodyne	SIRT3	50	31
COC1CC(CCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1	ZINC000852415444	GD	On-Demand	Anodyne	SIRT2	51	32
COC1CC(CCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1	ZINC000852415444	GD	On-Demand	Anodyne	SIRT1	50	31
COC1CC(CCNC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852415489	FF	On-Demand	Anodyne	CACNA1I	42	33
COC1CC(CCNC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852415489	FF	On-Demand	Anodyne	GPR119	32	43
COC1CC(CCNC(=O)NC[C@H](O)c2ccc(F)cc2)C1	ZINC000852415504	DD	On-Demand	Anodyne	SLC6A3	27	40
COC1CC(CCNC(=O)NC[C@@H](O)c2ccc(F)cc2)C1	ZINC000852415505	DD	On-Demand	Anodyne	SLC6A3	27	40
COC1CC(CCNC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1	ZINC000852415510	FI	On-Demand	Anodyne	CACNA1B	46	33
COC1CC(CCNC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1	ZINC000852415510	FI	On-Demand	Anodyne	CCR2	98	41
COC1CC(CCNC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1	ZINC000852415510	FI	On-Demand	Anodyne	EPHX2	22	42
COC1CC(CCNC(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1	ZINC000852415510	FI	On-Demand	Anodyne	LIPG	42	35
COC1CC(CCNC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1	ZINC000852415511	FI	On-Demand	Anodyne	CACNA1B	46	33
COC1CC(CCNC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1	ZINC000852415511	FI	On-Demand	Anodyne	CCR2	98	41
COC1CC(CCNC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1	ZINC000852415511	FI	On-Demand	Anodyne	EPHX2	22	42
COC1CC(CCNC(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1	ZINC000852415511	FI	On-Demand	Anodyne	LIPG	42	35
CC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000852415531	GG	On-Demand	Anodyne	L3MBTL3	41	35
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000852415532	GG	On-Demand	Anodyne	L3MBTL3	41	35
CC[C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000852415533	GG	On-Demand	Anodyne	L3MBTL3	41	35
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000852415534	GG	On-Demand	Anodyne	L3MBTL3	41	35
COC1CC(CCNC(=O)N2CCCN(c3ncccc3F)CC2)C1	ZINC000852415552	FE	On-Demand	Anodyne	SIRT2	43	30
COC1CC(CCNC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852415553	DD	On-Demand	Anodyne	CAPN2	41	32
COC1CC(CCNC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852415564	GH	On-Demand	Anodyne	SLC6A3	16	40
COC1CC(CCNC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852415565	GH	On-Demand	Anodyne	SLC6A3	16	40
COC1CC(CCNC(=O)NC2CCN(C(=O)OC(C)C)CC2)C1	ZINC000852415620	EE	On-Demand	Anodyne	EPHX2	30	45
COC1CC(CCNC(=O)NC2CCN(C(=O)OC(C)C)CC2)C1	ZINC000852415620	EE	On-Demand	Anodyne	GPR119	20	46
COC1CC(CCNC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)C1	ZINC000852415655	EH	On-Demand	Anodyne	ADRA1A	59	38
COC1CC(CCNC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)C1	ZINC000852415656	EH	On-Demand	Anodyne	ADRA1A	59	38
COC1CC(CCNC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852415663	DE	On-Demand	Anodyne	EPHX2	19	44
COC1CC(CCNC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852415663	DE	On-Demand	Anodyne	SIRT3	40	30
COC1CC(CCNC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852415663	DE	On-Demand	Anodyne	SIRT2	44	32
COC1CC(CCNC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852415663	DE	On-Demand	Anodyne	SIRT1	40	33
COC1CC(CCNC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852415664	DE	On-Demand	Anodyne	EPHX2	19	44
COC1CC(CCNC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852415664	DE	On-Demand	Anodyne	SIRT3	40	30
COC1CC(CCNC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852415664	DE	On-Demand	Anodyne	SIRT2	44	32
COC1CC(CCNC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852415664	DE	On-Demand	Anodyne	SIRT1	40	33
COc1cccc([C@H](O)CNC(=O)NCCC2CC(OC)C2)c1	ZINC000852415666	DD	On-Demand	Anodyne	DRD4	40	31
COc1cccc([C@H](O)CNC(=O)NCCC2CC(OC)C2)c1	ZINC000852415666	DD	On-Demand	Anodyne	MTNR1A	44	39
COc1cccc([C@H](O)CNC(=O)NCCC2CC(OC)C2)c1	ZINC000852415666	DD	On-Demand	Anodyne	MTNR1B	40	39
COC1CC(CCNC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)C1	ZINC000852415686	FH	On-Demand	Anodyne	SLC6A3	20	40
COC1CC(CCNC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)C1	ZINC000852415686	FH	On-Demand	Anodyne	ADRB3	54	37
COC1CC(CCNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1	ZINC000852415687	FH	On-Demand	Anodyne	SLC6A3	20	40
COC1CC(CCNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1	ZINC000852415687	FH	On-Demand	Anodyne	ADRB3	54	37
COc1ccc(O)c([C@H](C)NC(=O)NCCC2CC(OC)C2)c1	ZINC000852415695	DF	On-Demand	Clean	THRA	40	33
COc1ccc(O)c([C@H](C)NC(=O)NCCC2CC(OC)C2)c1	ZINC000852415695	DF	On-Demand	Clean	THRB	45	33
COc1ccc(O)c([C@H](C)NC(=O)NCCC2CC(OC)C2)c1	ZINC000852415695	DF	On-Demand	Clean	MTNR1A	47	38
COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CC(OC)C2)c1	ZINC000852415696	DF	On-Demand	Clean	THRA	40	33
COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CC(OC)C2)c1	ZINC000852415696	DF	On-Demand	Clean	THRB	45	33
COc1ccc(O)c([C@@H](C)NC(=O)NCCC2CC(OC)C2)c1	ZINC000852415696	DF	On-Demand	Clean	MTNR1A	47	38
COC1CC(CCNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852415726	GD	On-Demand	Reactive	P96878_MYCTU	41	35
COC1CC(CCNC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1	ZINC000852415735	EF	On-Demand	Anodyne	CHRM1	15	42
COC1CC(CCNC(=O)N2CCC([C@H](O)c3ccccc3)CC2)C1	ZINC000852415736	EF	On-Demand	Anodyne	CHRM1	15	42
COC1CC(CCNC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1	ZINC000852415827	GH	On-Demand	Anodyne	SLC6A3	26	42
COC1CC(CCNC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1	ZINC000852415828	GH	On-Demand	Anodyne	SLC6A3	26	42
COC1CC(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)C1	ZINC000852415837	FF	On-Demand	Anodyne	EPHX2	21	44
COC1CC(CCNC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852415849	EE	On-Demand	Anodyne	ADRB1	43	42
COC1CC(CCNC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852415849	EE	On-Demand	Anodyne	ADRB3	58	43
COC1CC(CCNC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852415849	EE	On-Demand	Anodyne	CYP3A4	45	37
COC1CC(CCNC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852415850	EE	On-Demand	Anodyne	ADRB1	43	42
COC1CC(CCNC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852415850	EE	On-Demand	Anodyne	ADRB3	58	43
COC1CC(CCNC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852415850	EE	On-Demand	Anodyne	CYP3A4	45	37
COC1CC(CCNC(=O)NNc2ncnc3ccsc23)C1	ZINC000852415857	DE	On-Demand	Reactive	SIRT3	41	33
COC1CC(CCNC(=O)NNc2ncnc3ccsc23)C1	ZINC000852415857	DE	On-Demand	Reactive	SIRT2	46	33
COC1CC(CCNC(=O)NNc2ncnc3ccsc23)C1	ZINC000852415857	DE	On-Demand	Reactive	SIRT1	41	33
COC1CC(CCNC(=O)N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)C1	ZINC000852415866	GG	On-Demand	Anodyne	GPR119	26	40
COC1CC(CCNC(=O)N2CCN(c3ccc(C)cc3)CC2)C1	ZINC000852415882	EF	On-Demand	Anodyne	DRD4	24	41
O=C(COC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)Nc1ccc(N2CCCCC2)nc1	ZINC000852415908	JH	On-Demand	Anodyne	DGAT1	33	41
O=C(COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)Nc1ccc(N2CCCCC2)nc1	ZINC000852415909	JH	On-Demand	Anodyne	DGAT1	33	41
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCc1ccccc1F	ZINC000852415922	IH	On-Demand	Anodyne	SLC6A1	41	34
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCc1ccccc1F	ZINC000852415922	IH	On-Demand	Anodyne	MC4R	19	40
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)NCc1ccccc1F	ZINC000852415922	IH	On-Demand	Anodyne	CCR1	29	41
COC1CC(CCNC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)C1	ZINC000852415939	FI	On-Demand	Anodyne	RBP4	86	39
COC1CC(CCNC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)C1	ZINC000852415939	FI	On-Demand	Anodyne	SFRP1	90	37
COC1CC(CCNC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)C1	ZINC000852415939	FI	On-Demand	Anodyne	WNT3	81	37
COC1CC(CCNC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)C1	ZINC000852415940	FI	On-Demand	Anodyne	RBP4	86	39
COC1CC(CCNC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)C1	ZINC000852415940	FI	On-Demand	Anodyne	SFRP1	90	37
COC1CC(CCNC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)C1	ZINC000852415940	FI	On-Demand	Anodyne	WNT3	81	37
COC1CC(CCNC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)C1	ZINC000852415942	GG	On-Demand	Reactive	PYGL	15	40
COC1CC(CCNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852415953	GH	On-Demand	Reactive	ROCK2	15	40
COC1CC(CCNC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)C1	ZINC000852415962	EF	On-Demand	Anodyne	EPHX2	19	48
COC1CC(CCNC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)C1	ZINC000852415962	EF	On-Demand	Anodyne	TRPM8	19	43
COC1CC(CCNC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)C1	ZINC000852415963	EF	On-Demand	Anodyne	EPHX2	19	48
COC1CC(CCNC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)C1	ZINC000852415963	EF	On-Demand	Anodyne	TRPM8	19	43
CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1	ZINC000852415967	ID	On-Demand	Anodyne	DPP7	55	39
CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1	ZINC000852415967	ID	On-Demand	Anodyne	L3MBTL3	46	37
CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1	ZINC000852415968	ID	On-Demand	Anodyne	DPP7	55	39
CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1	ZINC000852415968	ID	On-Demand	Anodyne	L3MBTL3	46	37
CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1	ZINC000852415969	ID	On-Demand	Anodyne	DPP7	55	39
CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1	ZINC000852415969	ID	On-Demand	Anodyne	L3MBTL3	46	37
CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1	ZINC000852415970	ID	On-Demand	Anodyne	DPP7	55	39
CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1	ZINC000852415970	ID	On-Demand	Anodyne	L3MBTL3	46	37
COC1CC(CCNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)C1	ZINC000852415971	FH	On-Demand	Anodyne	AKR1C3	17	42
COC1CC(CCNC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852416036	EE	On-Demand	Reactive	DRD4	43	35
COC1CC(CCNC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852416036	EE	On-Demand	Reactive	CACNA1I	49	42
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852416069	GF	On-Demand	Reactive	TGM2	42	36
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852416069	GF	On-Demand	Reactive	F13A1	68	36
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852416070	GF	On-Demand	Reactive	TGM2	42	36
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852416070	GF	On-Demand	Reactive	F13A1	68	36
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852416071	GF	On-Demand	Reactive	TGM2	42	36
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852416071	GF	On-Demand	Reactive	F13A1	68	36
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852416072	GF	On-Demand	Reactive	TGM2	42	36
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852416072	GF	On-Demand	Reactive	F13A1	68	36
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	ZINC000852416102	GH	On-Demand	Reactive	CCR3	21	40
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	ZINC000852416103	GH	On-Demand	Reactive	CCR3	21	40
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	ZINC000852416104	GH	On-Demand	Reactive	CCR3	21	40
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1	ZINC000852416105	GH	On-Demand	Reactive	CCR3	21	40
COC1CC(CCNC(=O)NCc2ccc(OCc3ccccc3)cc2)C1	ZINC000852416160	FH	On-Demand	Anodyne	MAOB	18	46
COC1CC(CCNC(=O)NCc2ccc(OCc3ccccc3)cc2)C1	ZINC000852416160	FH	On-Demand	Anodyne	LTA4H	30	42
COC1CC(CCNC(=O)NCc2ccc(OCc3ccccc3)cc2)C1	ZINC000852416160	FH	On-Demand	Anodyne	ADAM17	30	48
COC1CC(CCNC(=O)NCc2ccc(OCc3ccccc3)cc2)C1	ZINC000852416160	FH	On-Demand	Anodyne	EPHX2	17	53
COC1CC(CCNC(=O)NCc2ccc(OCc3ccccc3)cc2)C1	ZINC000852416160	FH	On-Demand	Anodyne	FFAR1	38	42
COC1CC(CCNC(=O)NCc2ccc(OCc3ccccc3)cc2)C1	ZINC000852416160	FH	On-Demand	Anodyne	PDS	51	37
COC1CC(CCNC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)C1	ZINC000852416192	FF	On-Demand	Reactive	EPHX2	33	47
C[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cscn1	ZINC000852416215	GE	On-Demand	Mild	PTAFR	42	57
C[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cscn1	ZINC000852416216	GE	On-Demand	Mild	PTAFR	42	57
C[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cscn1	ZINC000852416217	GE	On-Demand	Mild	PTAFR	42	57
C[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cscn1	ZINC000852416218	GE	On-Demand	Mild	PTAFR	42	57
COC1CC(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000852416276	FE	On-Demand	Bother	SSTR1	52	44
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852416308	IF	On-Demand	Anodyne	MTOR	40	36
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852416308	IF	On-Demand	Anodyne	MAPK9	35	43
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852416308	IF	On-Demand	Anodyne	MAPK10	38	43
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852416308	IF	On-Demand	Anodyne	EPHB3	17	42
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852416308	IF	On-Demand	Anodyne	STAT6	51	38
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@](C)(O)c1ccccc1	ZINC000852416323	EH	On-Demand	Mild	AMY2	46	33
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852416324	JG	On-Demand	Anodyne	MC4R	95	42
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852416324	JG	On-Demand	Anodyne	DPP7	42	35
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@](C)(O)c1ccccc1	ZINC000852416325	EH	On-Demand	Mild	AMY2	46	33
C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@](C)(O)c1ccccc1	ZINC000852416326	EH	On-Demand	Mild	AMY2	46	33
C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@](C)(O)c1ccccc1	ZINC000852416328	EH	On-Demand	Mild	AMY2	46	33
C[C@@H](NC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cscn1	ZINC000852416329	FF	On-Demand	Anodyne	GPR119	54	43
C[C@H](NC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cscn1	ZINC000852416333	FF	On-Demand	Anodyne	GPR119	54	43
C[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cscn1	ZINC000852416358	DH	On-Demand	Anodyne	LUCI_PHOPY	71	45
C[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cscn1	ZINC000852416360	DH	On-Demand	Anodyne	LUCI_PHOPY	71	45
C[C@@H](NCC(=O)NOCc1ccccc1)c1cscn1	ZINC000852416401	CE	On-Demand	Anodyne	CAPNS1	42	35
C[C@@H](NCC(=O)NOCc1ccccc1)c1cscn1	ZINC000852416401	CE	On-Demand	Anodyne	CAPN2	48	33
C[C@H](NCC(=O)NOCc1ccccc1)c1cscn1	ZINC000852416403	CE	On-Demand	Anodyne	CAPNS1	42	35
C[C@H](NCC(=O)NOCc1ccccc1)c1cscn1	ZINC000852416403	CE	On-Demand	Anodyne	CAPN2	48	33
COC1CC(CCNC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)C1	ZINC000852416506	FH	On-Demand	Anodyne	CHRNA10	53	48
CCOC(=O)N1CCC(NC(=O)NCCC2CC(OC)C2)CC1	ZINC000852416532	ED	On-Demand	Anodyne	EPHX2	31	47
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852416577	GF	On-Demand	Mild	TMPRSS11D	86	34
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852416578	GF	On-Demand	Mild	TMPRSS11D	86	34
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852416579	GF	On-Demand	Mild	TMPRSS11D	86	34
C[C@H](N[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1cscn1	ZINC000852416605	EG	On-Demand	Anodyne	PRNP	46	37
C[C@@H](N[C@H](C)c1cscn1)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852416606	EG	On-Demand	Anodyne	PRNP	46	37
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852416630	EG	On-Demand	Reactive	EPHX2	18	43
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852416631	EG	On-Demand	Reactive	EPHX2	18	43
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852416632	EG	On-Demand	Reactive	EPHX2	18	43
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852416633	EG	On-Demand	Reactive	EPHX2	18	43
C=CC[C@H]1CCCC[C@H]1NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852416705	GF	On-Demand	Mild	TMPRSS11D	86	34
C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000852416784	JE	On-Demand	Anodyne	DPP7	63	38
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852416823	IH	On-Demand	Anodyne	KCNQ2	69	44
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852416823	IH	On-Demand	Anodyne	EPHB3	29	44
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852416917	EF	On-Demand	Reactive	CCR3	52	42
C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852416917	EF	On-Demand	Reactive	SSTR3	21	40
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852416918	EF	On-Demand	Reactive	CCR3	52	42
C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852416918	EF	On-Demand	Reactive	SSTR3	21	40
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852416919	EF	On-Demand	Reactive	CCR3	52	42
C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852416919	EF	On-Demand	Reactive	SSTR3	21	40
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852416920	EF	On-Demand	Reactive	CCR3	52	42
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852416920	EF	On-Demand	Reactive	SSTR3	21	40
C[C@@H](NCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852416929	CF	On-Demand	Anodyne	CAPNS1	58	33
C[C@@H](NCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852416929	CF	On-Demand	Anodyne	CAPN1	56	36
C[C@@H](NCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852416929	CF	On-Demand	Anodyne	CAPN2	86	35
C[C@@H](NCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852416929	CF	On-Demand	Anodyne	NPR	74	36
C[C@@H](NCCC(=O)OCc1ccccc1)c1cscn1	ZINC000852416929	CF	On-Demand	Anodyne	GPR142	40	36
COC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCO[C@H]2C(=O)OC)cc1	ZINC000852417004	FC	On-Demand	Anodyne	ADRB2	37	46
COC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCO[C@H]2C(=O)OC)cc1	ZINC000852417004	FC	On-Demand	Anodyne	ADRB1	55	41
COC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCO[C@H]2C(=O)OC)cc1	ZINC000852417004	FC	On-Demand	Anodyne	ADRB3	36	40
COC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCO[C@H]2C(=O)OC)cc1	ZINC000852417005	FC	On-Demand	Anodyne	ADRB2	37	46
COC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCO[C@H]2C(=O)OC)cc1	ZINC000852417005	FC	On-Demand	Anodyne	ADRB1	55	41
COC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCO[C@H]2C(=O)OC)cc1	ZINC000852417005	FC	On-Demand	Anodyne	ADRB3	36	40
CCOC(=O)N1CCN(C(=O)[C@H](C)N[C@H](C)c2cscn2)CC1	ZINC000852417047	ED	On-Demand	Anodyne	P2RY12	49	36
CCOC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H](C)c2cscn2)CC1	ZINC000852417048	ED	On-Demand	Anodyne	P2RY12	49	36
CCOC(=O)N1CCN(C(=O)[C@H](C)N[C@@H](C)c2cscn2)CC1	ZINC000852417049	ED	On-Demand	Anodyne	P2RY12	49	36
CCOC(=O)N1CCN(C(=O)[C@@H](C)N[C@H](C)c2cscn2)CC1	ZINC000852417050	ED	On-Demand	Anodyne	P2RY12	49	36
CN(C)S(=O)(=O)c1cccc(NC(=O)CONC(=N)CC(=O)Nc2ccccc2Cl)c1	ZINC000852417078	JE	On-Demand	Anodyne	CA4	15	42
C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C(=O)OCC)CC1	ZINC000852417091	EG	On-Demand	Mild	EPHX2	21	46
C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C(=O)OCC)CC1	ZINC000852417092	EG	On-Demand	Mild	EPHX2	21	46
C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C(=O)OCC)CC1	ZINC000852417093	EG	On-Demand	Mild	EPHX2	21	46
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C(=O)OCC)CC1	ZINC000852417094	EG	On-Demand	Mild	EPHX2	21	46
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852417153	IH	On-Demand	Anodyne	P2RY1	67	41
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852417153	IH	On-Demand	Anodyne	EPHX2	40	40
C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cscn1	ZINC000852417167	FH	On-Demand	Anodyne	GRIN2B	69	59
C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cscn1	ZINC000852417167	FH	On-Demand	Anodyne	PREP	33	41
C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cscn1	ZINC000852417167	FH	On-Demand	Anodyne	CAPNS1	42	31
C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cscn1	ZINC000852417167	FH	On-Demand	Anodyne	CAPN1	46	36
C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cscn1	ZINC000852417167	FH	On-Demand	Anodyne	CAPN2	65	36
C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cscn1	ZINC000852417167	FH	On-Demand	Anodyne	TGM2	37	45
C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cscn1	ZINC000852417167	FH	On-Demand	Anodyne	KLK5	40	36
C[C@@H](NCC1CCN(C(=O)OCc2ccccc2)CC1)c1cscn1	ZINC000852417167	FH	On-Demand	Anodyne	F13A1	38	45
COC1CC(CCNC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1	ZINC000852417170	GF	On-Demand	Anodyne	NPY2R	43	36
COC1CC(CCNC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1	ZINC000852417170	GF	On-Demand	Anodyne	SLC6A9	22	45
C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Br)c1cscn1	ZINC000852417227	GH	On-Demand	Anodyne	ADRB2	18	42
C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1cscn1	ZINC000852417231	GH	On-Demand	Anodyne	ADRB2	18	42
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852417244	IH	On-Demand	Anodyne	GRIN2B	63	40
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852417244	IH	On-Demand	Anodyne	SIGMAR1	16	40
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852417244	IH	On-Demand	Anodyne	CCR3	35	41
Cc1ccc(-c2csc(NC(=O)CN[C@H](C)c3cscn3)n2)cc1C	ZINC000852417261	FI	On-Demand	Anodyne	MPL	17	46
Cc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3cscn3)n2)cc1C	ZINC000852417266	FI	On-Demand	Anodyne	MPL	17	46
C[C@@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417348	CF	On-Demand	Anodyne	BMP1	15	42
C[C@@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417348	CF	On-Demand	Anodyne	CAPNS1	53	32
C[C@@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417348	CF	On-Demand	Anodyne	CAPN1	54	37
C[C@@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417348	CF	On-Demand	Anodyne	CAPN2	82	35
C[C@@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417348	CF	On-Demand	Anodyne	NPR	65	34
C[C@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417349	CF	On-Demand	Anodyne	BMP1	15	42
C[C@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417349	CF	On-Demand	Anodyne	CAPNS1	53	32
C[C@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417349	CF	On-Demand	Anodyne	CAPN1	54	37
C[C@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417349	CF	On-Demand	Anodyne	CAPN2	82	35
C[C@H](NCC(=O)OCc1ccccc1)c1cscn1	ZINC000852417349	CF	On-Demand	Anodyne	NPR	65	34
CC(=O)c1cccc(NC(=O)CONC(=N)CC(=O)Nc2ccccc2Cl)c1	ZINC000852417462	HG	On-Demand	Anodyne	KCNK3	53	37
C#Cc1cccc(NC(=O)CNC(=O)NCCC2CC(OC)C2)c1	ZINC000852417622	ED	On-Demand	Mild	CCR3	16	41
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852417635	JI	On-Demand	Anodyne	RAF1	29	40
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852417635	JI	On-Demand	Anodyne	IMDH_CRYPV	22	47
COC1CC(CCNC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	ZINC000852417654	EE	On-Demand	Reactive	EPHX2	32	40
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852417668	FH	On-Demand	Mild	EPHX2	17	43
C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852417670	FH	On-Demand	Mild	EPHX2	17	43
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852417673	FH	On-Demand	Mild	EPHX2	17	43
C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852417675	FH	On-Demand	Mild	EPHX2	17	43
COc1ccc(OC)c([C@H](O)CNC(=O)NCCC2CC(OC)C2)c1	ZINC000852417694	FD	On-Demand	Anodyne	MTNR1A	44	43
C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852417711	FG	On-Demand	Mild	EPHX2	19	45
C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852417712	FG	On-Demand	Mild	EPHX2	19	45
C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852417713	FG	On-Demand	Mild	EPHX2	19	45
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852417714	FG	On-Demand	Mild	EPHX2	19	45
C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cscn1	ZINC000852417774	CE	On-Demand	Bother	ADRB3	42	32
C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cscn1	ZINC000852417780	CE	On-Demand	Bother	ADRB3	42	32
Cc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@H](C)c3cscn3)n2)cc1	ZINC000852417798	FI	On-Demand	Anodyne	ROCK1	20	42
Cc1ccc(-c2csc(NC(=O)[C@H](C)N[C@H](C)c3cscn3)n2)cc1	ZINC000852417800	FI	On-Demand	Anodyne	ROCK1	20	42
Cc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@@H](C)c3cscn3)n2)cc1	ZINC000852417802	FI	On-Demand	Anodyne	ROCK1	20	42
Cc1ccc(-c2csc(NC(=O)[C@H](C)N[C@@H](C)c3cscn3)n2)cc1	ZINC000852417804	FI	On-Demand	Anodyne	ROCK1	20	42
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852417811	GF	On-Demand	Mild	EPHX2	17	43
C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852417812	GF	On-Demand	Mild	EPHX2	17	43
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852417814	HG	On-Demand	Anodyne	EPHX2	62	44
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852417815	GF	On-Demand	Mild	EPHX2	17	43
C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852417816	GF	On-Demand	Mild	EPHX2	17	43
COC1CC(CCNC(=O)N2CCC(CCc3ccccc3)CC2)C1	ZINC000852417817	EH	On-Demand	Anodyne	ACHE	39	47
COC1CC(CCNC(=O)N2CCC(CCc3ccccc3)CC2)C1	ZINC000852417817	EH	On-Demand	Anodyne	SLC6A3	22	43
COC1CC(CCNC(=O)N2CCC(CCc3ccccc3)CC2)C1	ZINC000852417817	EH	On-Demand	Anodyne	SLC18A2	40	41
COC1CC(CCNC(=O)N2CCC(CCc3ccccc3)CC2)C1	ZINC000852417817	EH	On-Demand	Anodyne	GRIN2B	61	44
C[C@@H](NCCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852417870	FF	On-Demand	Anodyne	PRNP	40	35
C[C@@H](NCCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852417870	FF	On-Demand	Anodyne	MTOR	61	39
C[C@@H](NCCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852417870	FF	On-Demand	Anodyne	STAT6	62	36
C[C@@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cscn1	ZINC000852417891	GE	On-Demand	Bother	SSTR1	46	47
C[C@H](NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cscn1	ZINC000852417892	GE	On-Demand	Bother	SSTR1	46	47
Cc1cccc(C(=O)NNC(=O)CN[C@H](C)c2cscn2)c1	ZINC000852417895	DD	On-Demand	Reactive	KCNK3	59	41
Cc1cccc(C(=O)NNC(=O)CN[C@H](C)c2cscn2)c1	ZINC000852417895	DD	On-Demand	Reactive	KCNK9	47	40
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C)c2cscn2)c1	ZINC000852417896	DD	On-Demand	Reactive	KCNK3	59	41
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C)c2cscn2)c1	ZINC000852417896	DD	On-Demand	Reactive	KCNK9	47	40
COC1CC(CCNC(=O)NC[C@@H](O)c2ccccc2)C1	ZINC000852417936	CD	On-Demand	Anodyne	Q8WSF8_APLCA	40	38
COC1CC(CCNC(=O)NC[C@H](O)c2ccccc2)C1	ZINC000852417937	CD	On-Demand	Anodyne	Q8WSF8_APLCA	40	38
COC1CC(CCNC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1	ZINC000852417957	GI	On-Demand	Anodyne	EPHX2	29	40
COC1CC(CCNC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1	ZINC000852417957	GI	On-Demand	Anodyne	SIRT2	44	32
COC1CC(CCNC(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1	ZINC000852417957	GI	On-Demand	Anodyne	SIRT1	40	33
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852417970	DH	On-Demand	Mild	EPHX2	20	40
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852417971	DH	On-Demand	Mild	EPHX2	20	40
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852417972	DH	On-Demand	Mild	EPHX2	20	40
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852417973	DH	On-Demand	Mild	EPHX2	20	40
COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@H](C)c3cscn3)n2)cc1	ZINC000852418188	GH	On-Demand	Anodyne	ROCK1	22	46
COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@H](C)c3cscn3)n2)cc1	ZINC000852418188	GH	On-Demand	Anodyne	ROCK2	15	46
COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@@H](C)c3cscn3)n2)cc1	ZINC000852418189	GH	On-Demand	Anodyne	ROCK1	22	46
COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@@H](C)c3cscn3)n2)cc1	ZINC000852418189	GH	On-Demand	Anodyne	ROCK2	15	46
COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@@H](C)c3cscn3)n2)cc1	ZINC000852418190	GH	On-Demand	Anodyne	ROCK1	22	46
COc1ccc(-c2csc(NC(=O)[C@H](C)N[C@@H](C)c3cscn3)n2)cc1	ZINC000852418190	GH	On-Demand	Anodyne	ROCK2	15	46
COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@H](C)c3cscn3)n2)cc1	ZINC000852418191	GH	On-Demand	Anodyne	ROCK1	22	46
COc1ccc(-c2csc(NC(=O)[C@@H](C)N[C@H](C)c3cscn3)n2)cc1	ZINC000852418191	GH	On-Demand	Anodyne	ROCK2	15	46
C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cscn1	ZINC000852418205	GD	On-Demand	Anodyne	PTAFR	25	41
C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cscn1	ZINC000852418205	GD	On-Demand	Anodyne	TGM2	60	38
C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cscn1	ZINC000852418205	GD	On-Demand	Anodyne	F13A1	65	39
C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cscn1	ZINC000852418206	GD	On-Demand	Anodyne	PTAFR	25	41
C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cscn1	ZINC000852418206	GD	On-Demand	Anodyne	TGM2	60	38
C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cscn1	ZINC000852418206	GD	On-Demand	Anodyne	F13A1	65	39
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852418253	JI	On-Demand	Anodyne	TSHR	40	33
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852418253	JI	On-Demand	Anodyne	PPIA	24	42
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852418253	JI	On-Demand	Anodyne	LTA4H	35	56
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852418253	JI	On-Demand	Anodyne	CA1	19	45
C[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cscn1	ZINC000852418268	EG	On-Demand	Anodyne	PRNP	46	36
C[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cscn1	ZINC000852418269	EG	On-Demand	Anodyne	PRNP	46	36
C[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418280	EE	On-Demand	Anodyne	PIK3CA	32	40
C[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418280	EE	On-Demand	Anodyne	PRNP	41	35
C[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418280	EE	On-Demand	Anodyne	MTOR	63	40
C[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418280	EE	On-Demand	Anodyne	PIK3CG	30	40
C[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418280	EE	On-Demand	Anodyne	STAT6	56	34
C[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418281	EE	On-Demand	Anodyne	PIK3CA	32	40
C[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418281	EE	On-Demand	Anodyne	PRNP	41	35
C[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418281	EE	On-Demand	Anodyne	MTOR	63	40
C[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418281	EE	On-Demand	Anodyne	PIK3CG	30	40
C[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cscn1	ZINC000852418281	EE	On-Demand	Anodyne	STAT6	56	34
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N[C@@H]2COC(C)(C)C2)CC1	ZINC000852418394	FF	On-Demand	Anodyne	GPR119	25	41
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N[C@H]2COC(C)(C)C2)CC1	ZINC000852418395	FF	On-Demand	Anodyne	GPR119	25	41
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)N[C@H]2COC(C)(C)C2)C1	ZINC000852418396	EE	On-Demand	Anodyne	EPHX2	20	42
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)N[C@@H]2COC(C)(C)C2)C1	ZINC000852418399	EE	On-Demand	Anodyne	EPHX2	20	42
CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@@H]2COC(C)(C)C2)CC1	ZINC000852418433	GD	On-Demand	Anodyne	EPHX2	28	43
CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@H]2COC(C)(C)C2)CC1	ZINC000852418434	GD	On-Demand	Anodyne	EPHX2	28	43
CC(C)c1ccccc1NC(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852418450	HH	On-Demand	Anodyne	CXCL8	41	38
C[C@H](NC[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1cscn1	ZINC000852418511	FI	On-Demand	Anodyne	ADRB2	58	59
C[C@H](NC[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1cscn1	ZINC000852418511	FI	On-Demand	Anodyne	ADRB1	66	46
C[C@H](NC[C@H](O)COc1ccc(Oc2ccccc2)cc1)c1cscn1	ZINC000852418511	FI	On-Demand	Anodyne	ADRB3	45	44
C[C@@H](NC[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1cscn1	ZINC000852418513	FI	On-Demand	Anodyne	ADRB2	58	59
C[C@@H](NC[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1cscn1	ZINC000852418513	FI	On-Demand	Anodyne	ADRB1	66	46
C[C@@H](NC[C@@H](O)COc1ccc(Oc2ccccc2)cc1)c1cscn1	ZINC000852418513	FI	On-Demand	Anodyne	ADRB3	45	44
Cc1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852418559	CF	On-Demand	Anodyne	ADRB2	46	65
Cc1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852418559	CF	On-Demand	Anodyne	ADRB1	49	49
Cc1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852418559	CF	On-Demand	Anodyne	ADRB3	28	46
Cc1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852418561	CF	On-Demand	Anodyne	ADRB2	46	65
Cc1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852418561	CF	On-Demand	Anodyne	ADRB1	49	49
Cc1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852418561	CF	On-Demand	Anodyne	ADRB3	28	46
Cc1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852418563	CF	On-Demand	Anodyne	ADRB2	46	65
Cc1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852418563	CF	On-Demand	Anodyne	ADRB1	49	49
Cc1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852418563	CF	On-Demand	Anodyne	ADRB3	28	46
Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852418565	CF	On-Demand	Anodyne	ADRB2	46	65
Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852418565	CF	On-Demand	Anodyne	ADRB1	49	49
Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852418565	CF	On-Demand	Anodyne	ADRB3	28	46
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	CTSD	66	44
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	PGC	60	39
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	PAPA1_CARPA	35	42
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	CTSL	16	42
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	PGA	51	40
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	BACE2	42	38
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	REN	88	48
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	REN1	32	46
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	BACE1	52	43
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	FPR1	51	41
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	PLM2_PLAFA	50	39
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscn1	ZINC000852418570	GG	On-Demand	Anodyne	Q82323_9DELA	73	32
C[C@@H](NCC(=O)Nc1cccnc1Cl)c1cscn1	ZINC000852418604	CE	On-Demand	Anodyne	G2YM83_BOTF4	69	34
C[C@H](NCC(=O)Nc1cccnc1Cl)c1cscn1	ZINC000852418605	CE	On-Demand	Anodyne	G2YM83_BOTF4	69	34
C[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cscn1	ZINC000852418620	EG	On-Demand	Anodyne	PRNP	46	36
COc1cnccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852418623	FB	On-Demand	Reactive	HTR1A	35	41
COc1cnccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852418623	FB	On-Demand	Reactive	DRD2	29	41
COc1cnccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852418623	FB	On-Demand	Reactive	HTR1B	15	42
COc1cnccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852418623	FB	On-Demand	Reactive	DRD3	42	39
COc1cnccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852418623	FB	On-Demand	Reactive	PDGFRB	30	41
C[C@@H](NC[C@@H](O)COc1cc(Cl)ccc1Cl)c1cscn1	ZINC000852418725	EH	On-Demand	Anodyne	ADRB2	20	43
C[C@H](NC[C@H](O)COc1cc(Cl)ccc1Cl)c1cscn1	ZINC000852418726	EH	On-Demand	Anodyne	ADRB2	20	43
COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H]2COC(C)(C)C2)c1	ZINC000852418752	ED	On-Demand	Anodyne	MTNR1A	23	43
COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H]2COC(C)(C)C2)c1	ZINC000852418755	ED	On-Demand	Anodyne	MTNR1A	23	43
C[S@](=O)CCN[C@@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000852418785	CE	On-Demand	Anodyne	AMY2	44	30
C[S@@](=O)CCN[C@@H](C(=O)OC(C)(C)C)c1ccccc1	ZINC000852418786	CE	On-Demand	Anodyne	AMY2	44	30
C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cscn1	ZINC000852418821	EG	On-Demand	Anodyne	PRNP	46	36
C[C@@H]1Cc2ccccc2N1C(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852418924	HG	On-Demand	Anodyne	DRD4	25	48
C[C@@H]1Cc2ccccc2N1C(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852418924	HG	On-Demand	Anodyne	KCNQ2	37	40
C[C@@H]1Cc2ccccc2N1C(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852418924	HG	On-Demand	Anodyne	TPP2	48	33
C[C@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1cscn1	ZINC000852418928	FH	On-Demand	Anodyne	PRNP	46	36
C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852418929	FC	On-Demand	Reactive	DRD4	34	40
C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852418929	FC	On-Demand	Reactive	FAAH	18	43
C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852418930	FC	On-Demand	Reactive	DRD4	34	40
C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852418930	FC	On-Demand	Reactive	FAAH	18	43
C[C@@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1cscn1	ZINC000852418932	FH	On-Demand	Anodyne	PRNP	46	36
Cc1cc(F)ccc1C1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852419008	FD	On-Demand	Reactive	HTR1F	50	38
Cc1cc(F)ccc1C1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852419008	FD	On-Demand	Reactive	PRCP	49	35
N=C(CC(=O)Nc1ccccc1Cl)NOCc1cccc(C(F)(F)F)c1	ZINC000852419155	GI	On-Demand	Anodyne	KCNQ2	24	50
N=C(CC(=O)Nc1ccccc1Cl)NOCc1cccc(C(F)(F)F)c1	ZINC000852419155	GI	On-Demand	Anodyne	ADCYAP1R1	41	39
N=C(CC(=O)Nc1ccccc1Cl)NOCc1cccc(C(F)(F)F)c1	ZINC000852419155	GI	On-Demand	Anodyne	PDS	40	37
C[C@H](NC[C@H](O)COC(c1ccccc1)c1ccccc1)c1cscn1	ZINC000852419176	FH	On-Demand	Anodyne	ADRB2	22	44
C[C@@H](NC[C@@H](O)COC(c1ccccc1)c1ccccc1)c1cscn1	ZINC000852419178	FH	On-Demand	Anodyne	ADRB2	22	44
C[C@@H]1CCCCN1C(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852419295	FF	On-Demand	Anodyne	KCNQ2	43	39
C[C@@H]1CCCCN1C(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852419295	FF	On-Demand	Anodyne	CPT1A	74	37
C[C@H]1CCCCN1C(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852419296	FF	On-Demand	Anodyne	KCNQ2	43	39
C[C@H]1CCCCN1C(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852419296	FF	On-Demand	Anodyne	CPT1A	74	37
COC(=O)[C@@H]1CN(C(=O)NNC(=O)c2cn(C)nn2)C[C@@H]1c1ccccc1	ZINC000852419316	FC	On-Demand	Reactive	SLC6A3	24	48
COC(=O)[C@@H]1CN(C(=O)NNC(=O)c2cn(C)nn2)C[C@H]1c1ccccc1	ZINC000852419317	FC	On-Demand	Reactive	SLC6A3	24	48
CC[C@@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(OC)c(OC)c1	ZINC000852419340	FC	On-Demand	Reactive	ENPP1	44	31
Cc1ccc(CC2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1C	ZINC000852419446	FD	On-Demand	Reactive	GRIN2B	59	38
Cc1ccc(CC2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1C	ZINC000852419446	FD	On-Demand	Reactive	CCR3	37	44
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c1	ZINC000852419447	GE	On-Demand	Reactive	KCNK3	64	42
Cc1cccc(C(=O)NNC(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c1	ZINC000852419447	GE	On-Demand	Reactive	KCNK9	47	42
CCOC(=O)C1=C(CN[C@H](C)c2cscn2)NC(=O)N[C@H]1c1ccccc1	ZINC000852419457	GF	On-Demand	Anodyne	CACNA1C	42	35
CCOC(=O)C1=C(CN[C@H](C)c2cscn2)NC(=O)N[C@H]1c1ccccc1	ZINC000852419457	GF	On-Demand	Anodyne	SLC27A4	60	33
CCOC(=O)C1=C(CN[C@@H](C)c2cscn2)NC(=O)N[C@H]1c1ccccc1	ZINC000852419461	GF	On-Demand	Anodyne	CACNA1C	42	35
CCOC(=O)C1=C(CN[C@@H](C)c2cscn2)NC(=O)N[C@H]1c1ccccc1	ZINC000852419461	GF	On-Demand	Anodyne	SLC27A4	60	33
CCOC(=O)C1=C(CN[C@H](C)c2cscn2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852419462	GF	On-Demand	Anodyne	CACNA1C	42	35
CCOC(=O)C1=C(CN[C@H](C)c2cscn2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852419462	GF	On-Demand	Anodyne	SLC27A4	60	33
CCOC(=O)C1=C(CN[C@@H](C)c2cscn2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852419463	GF	On-Demand	Anodyne	CACNA1C	42	35
CCOC(=O)C1=C(CN[C@@H](C)c2cscn2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852419463	GF	On-Demand	Anodyne	SLC27A4	60	33
Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852419520	FD	On-Demand	Reactive	CTSA	57	37
Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852419521	FD	On-Demand	Reactive	CTSA	57	37
CC[C@@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccccc1	ZINC000852419530	DC	On-Demand	Reactive	TACR3	54	43
C#CCN1CCN(C(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)CC1	ZINC000852419539	FD	On-Demand	Mild	PTAFR	25	42
C=CCCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852419556	DD	On-Demand	Reactive	HCN1	49	30
C=CCCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCC1	ZINC000852419556	DD	On-Demand	Reactive	HCN4	47	30
C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cscn1	ZINC000852419558	GE	On-Demand	Clean	NPY2R	40	31
C[C@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cscn1	ZINC000852419560	GE	On-Demand	Clean	NPY2R	40	31
COc1ccc(N2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)nc1	ZINC000852419635	FB	On-Demand	Reactive	PDGFRB	40	35
COc1ccc(N2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)nc1	ZINC000852419635	FB	On-Demand	Reactive	SCD1	20	42
COc1ccc(N2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)nc1	ZINC000852419635	FB	On-Demand	Reactive	DGAT1	25	40
COc1ccc(N2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)nc1	ZINC000852419635	FB	On-Demand	Reactive	NPBWR1	76	39
COc1ccc(CN(C)C(=O)NNC(=O)c2cn(C)nn2)cc1Cl	ZINC000852419705	FC	On-Demand	Reactive	PDE5A	41	38
COc1ccc(CN(C)C(=O)NNC(=O)c2cn(C)nn2)cc1Cl	ZINC000852419705	FC	On-Demand	Reactive	PDE6A	42	33
CC(C)c1ccc(CN2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852419816	GD	On-Demand	Reactive	FAAH	20	42
CCC1(c2ccc(Cl)cc2)CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852419893	GE	On-Demand	Reactive	CCR1	43	35
C[C@H](NC[C@H](O)COCc1ccccc1Cl)c1cscn1	ZINC000852419904	EG	On-Demand	Anodyne	ADRB2	18	40
C[C@@H](NC[C@@H](O)COCc1ccccc1Cl)c1cscn1	ZINC000852419907	EG	On-Demand	Anodyne	ADRB2	18	40
C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cscn1	ZINC000852419964	DF	On-Demand	Anodyne	ADRB2	44	50
C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cscn1	ZINC000852419964	DF	On-Demand	Anodyne	ADRB1	49	48
C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cscn1	ZINC000852419964	DF	On-Demand	Anodyne	GRIN1	16	42
C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cscn1	ZINC000852419964	DF	On-Demand	Anodyne	ADRB3	30	45
C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cscn1	ZINC000852419966	DF	On-Demand	Anodyne	ADRB2	44	50
C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cscn1	ZINC000852419966	DF	On-Demand	Anodyne	ADRB1	49	48
C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cscn1	ZINC000852419966	DF	On-Demand	Anodyne	GRIN1	16	42
C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cscn1	ZINC000852419966	DF	On-Demand	Anodyne	ADRB3	30	45
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852419967	EE	On-Demand	Anodyne	ADRB2	47	55
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852419967	EE	On-Demand	Anodyne	ADRB1	62	48
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852419967	EE	On-Demand	Anodyne	ADRB3	38	43
COC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852419968	EE	On-Demand	Anodyne	ADRB2	47	55
COC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852419968	EE	On-Demand	Anodyne	ADRB1	62	48
COC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852419968	EE	On-Demand	Anodyne	ADRB3	38	43
COC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852419969	EE	On-Demand	Anodyne	ADRB2	47	55
COC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852419969	EE	On-Demand	Anodyne	ADRB1	62	48
COC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852419969	EE	On-Demand	Anodyne	ADRB3	38	43
COC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852419970	EE	On-Demand	Anodyne	ADRB2	47	55
COC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852419970	EE	On-Demand	Anodyne	ADRB1	62	48
COC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852419970	EE	On-Demand	Anodyne	ADRB3	38	43
C[C@@H](NC[C@@H](O)COCc1ccc(Cl)cc1)c1cscn1	ZINC000852419977	EG	On-Demand	Anodyne	ADRB1	17	42
C[C@H](NC[C@H](O)COCc1ccc(Cl)cc1)c1cscn1	ZINC000852419978	EG	On-Demand	Anodyne	ADRB1	17	42
CC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852420086	DE	On-Demand	Anodyne	ADRB2	40	52
CC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852420086	DE	On-Demand	Anodyne	ADRB1	54	51
CC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852420086	DE	On-Demand	Anodyne	ADRB3	29	43
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852420087	DE	On-Demand	Anodyne	ADRB2	40	52
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852420087	DE	On-Demand	Anodyne	ADRB1	54	51
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852420087	DE	On-Demand	Anodyne	ADRB3	29	43
CC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852420088	DE	On-Demand	Anodyne	ADRB2	40	52
CC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852420088	DE	On-Demand	Anodyne	ADRB1	54	51
CC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2cscn2)cc1	ZINC000852420088	DE	On-Demand	Anodyne	ADRB3	29	43
CC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852420089	DE	On-Demand	Anodyne	ADRB2	40	52
CC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852420089	DE	On-Demand	Anodyne	ADRB1	54	51
CC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2cscn2)cc1	ZINC000852420089	DE	On-Demand	Anodyne	ADRB3	29	43
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852420106	JJ	On-Demand	Anodyne	F13A1	15	41
COc1ccc(N2CCN(C(=O)CN[C@@H](C)c3cscn3)CC2)cc1	ZINC000852420113	FE	On-Demand	Clean	NPBWR1	54	36
COc1ccc(N2CCN(C(=O)CN[C@H](C)c3cscn3)CC2)cc1	ZINC000852420114	FE	On-Demand	Clean	NPBWR1	54	36
C[C@H](NC[C@H](O)CO[C@@H]1CCCc2ccccc21)c1cscn1	ZINC000852420117	EG	On-Demand	Anodyne	ADRB2	18	43
C[C@H](NC[C@H](O)CO[C@H]1CCCc2ccccc21)c1cscn1	ZINC000852420120	EG	On-Demand	Anodyne	ADRB2	18	43
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852420199	II	On-Demand	Anodyne	SLC1A1	23	42
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852420199	II	On-Demand	Anodyne	SLC1A2	32	42
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852420199	II	On-Demand	Anodyne	SMO	20	42
COc1ccc(N2CCC(NC(=O)N[C@@H]3COC(C)(C)C3)CC2)cc1	ZINC000852420200	EF	On-Demand	Clean	EPHX2	29	43
COc1ccc(N2CCC(NC(=O)N[C@H]3COC(C)(C)C3)CC2)cc1	ZINC000852420201	EF	On-Demand	Clean	EPHX2	29	43
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852420262	JF	On-Demand	Anodyne	LPL	44	40
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852420262	JF	On-Demand	Anodyne	F13A1	53	44
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852420262	JF	On-Demand	Anodyne	LIPG	18	40
O=C(CN[C@]1(Cc2ccc(Cl)cc2)CCCOC1)Nc1cccnc1Cl	ZINC000852420285	GH	On-Demand	Anodyne	G2YM83_BOTF4	59	33
O=C(CN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1)Nc1cccnc1Cl	ZINC000852420286	GH	On-Demand	Anodyne	G2YM83_BOTF4	59	33
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000852420319	JJ	On-Demand	Anodyne	LTA4H	46	45
COc1ccc(N2CCC(NC(=O)NCCc3noc4ccccc34)CC2)cc1	ZINC000852420322	GG	On-Demand	Clean	MTNR1A	43	37
COc1ccc(N2CCC(NC(=O)NCCc3noc4ccccc34)CC2)cc1	ZINC000852420322	GG	On-Demand	Clean	EPHX2	16	41
COc1ccc(N2CCC(NC(=O)NCCc3noc4ccccc34)CC2)cc1	ZINC000852420322	GG	On-Demand	Clean	PDK1	45	39
COc1ccc(N2CCC(NC(=O)NCCc3noc4ccccc34)CC2)cc1	ZINC000852420322	GG	On-Demand	Clean	MCHR1	15	42
O=C(NCCc1noc2ccccc12)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852420330	FI	On-Demand	Anodyne	ADRA1A	41	34
O=C(NCCc1noc2ccccc12)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852420331	FI	On-Demand	Anodyne	ADRA1A	41	34
C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1Cl)c1cscn1	ZINC000852420377	EH	On-Demand	Anodyne	ADRB2	24	47
C[C@H](NC[C@H](O)COc1ccc(Cl)cc1Cl)c1cscn1	ZINC000852420378	EH	On-Demand	Anodyne	ADRB2	24	47
C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cscn1	ZINC000852420393	EG	On-Demand	Anodyne	ADRB2	49	68
C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cscn1	ZINC000852420393	EG	On-Demand	Anodyne	ADRB1	47	46
C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cscn1	ZINC000852420393	EG	On-Demand	Anodyne	ADRB3	30	44
C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cscn1	ZINC000852420393	EG	On-Demand	Anodyne	ACOX1	42	39
C[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cscn1	ZINC000852420395	EG	On-Demand	Anodyne	ADRB2	49	68
C[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cscn1	ZINC000852420395	EG	On-Demand	Anodyne	ADRB1	47	46
C[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cscn1	ZINC000852420395	EG	On-Demand	Anodyne	ADRB3	30	44
C[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cscn1	ZINC000852420395	EG	On-Demand	Anodyne	ACOX1	42	39
CCOC(=O)N1CCC(NC(=O)N[C@H]2COC(C)(C)C2)CC1	ZINC000852420519	DD	On-Demand	Anodyne	EPHX2	34	49
CCOC(=O)N1CCC(NC(=O)N[C@@H]2COC(C)(C)C2)CC1	ZINC000852420520	DD	On-Demand	Anodyne	EPHX2	34	49
C[C@H](NC[C@H](O)COc1cccc(Br)c1)c1cscn1	ZINC000852420548	FF	On-Demand	Anodyne	ADRB2	34	51
C[C@H](NC[C@H](O)COc1cccc(Br)c1)c1cscn1	ZINC000852420548	FF	On-Demand	Anodyne	ADRB1	33	51
C[C@@H](NC[C@@H](O)COc1cccc(Br)c1)c1cscn1	ZINC000852420550	FF	On-Demand	Anodyne	ADRB2	34	51
C[C@@H](NC[C@@H](O)COc1cccc(Br)c1)c1cscn1	ZINC000852420550	FF	On-Demand	Anodyne	ADRB1	33	51
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3COC(C)(C)C3)CC2)c(F)c1	ZINC000852420582	FE	On-Demand	Anodyne	SLC6A9	23	48
CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3COC(C)(C)C3)CC2)c(F)c1	ZINC000852420583	FE	On-Demand	Anodyne	SLC6A9	23	48
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)NCc1ccc2c(c1)OCO2	ZINC000852420620	HE	On-Demand	Anodyne	NOS2	88	37
CC(=O)c1ccc(N2CCN(C(=O)CN[C@H](C)c3cscn3)CC2)c(F)c1	ZINC000852420666	GE	On-Demand	Anodyne	NPY2R	76	35
CC(=O)c1ccc(N2CCN(C(=O)CN[C@H](C)c3cscn3)CC2)c(F)c1	ZINC000852420666	GE	On-Demand	Anodyne	SLC6A9	22	45
CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H](C)c3cscn3)CC2)c(F)c1	ZINC000852420667	GE	On-Demand	Anodyne	NPY2R	76	35
CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H](C)c3cscn3)CC2)c(F)c1	ZINC000852420667	GE	On-Demand	Anodyne	SLC6A9	22	45
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852420702	II	On-Demand	Anodyne	PDS	40	39
C[C@@H](NC(=O)NCCc1noc2ccccc12)C(=O)OCc1ccccc1	ZINC000852420807	FF	On-Demand	Anodyne	CTSB	44	38
C[C@@H](NC(=O)NCCc1noc2ccccc12)C(=O)OCc1ccccc1	ZINC000852420807	FF	On-Demand	Anodyne	PAPA1_CARPA	50	33
C[C@@H](NC(=O)NCCc1noc2ccccc12)C(=O)OCc1ccccc1	ZINC000852420807	FF	On-Demand	Anodyne	CAPNS1	60	38
C[C@@H](NC(=O)NCCc1noc2ccccc12)C(=O)OCc1ccccc1	ZINC000852420807	FF	On-Demand	Anodyne	CAPN1	70	38
C[C@@H](NC(=O)NCCc1noc2ccccc12)C(=O)OCc1ccccc1	ZINC000852420807	FF	On-Demand	Anodyne	CAPN2	103	38
C[C@@H](NC(=O)NCCc1noc2ccccc12)C(=O)OCc1ccccc1	ZINC000852420807	FF	On-Demand	Anodyne	NPR	76	35
CCC(CC)(CNC(=O)NNC(=O)c1cn(C)nn1)c1ccc(F)cc1	ZINC000852420910	FD	On-Demand	Reactive	CACNA1G	38	43
O=C(NCCc1noc2ccccc12)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000852420933	GF	On-Demand	Reactive	EPHX2	16	40
COc1ccc(N2CCCN(C(=O)NCCc3noc4ccccc34)CC2)cc1	ZINC000852421013	GG	On-Demand	Clean	DRD3	16	41
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852421027	HG	On-Demand	Bother	CACNA1D	54	34
COc1ccc2c(c1)CN(C(=O)NCCc1noc3ccccc13)CCO2	ZINC000852421076	FF	On-Demand	Anodyne	MTNR1A	52	36
COc1ccc2c(c1)CN(C(=O)NCCc1noc3ccccc13)CCO2	ZINC000852421076	FF	On-Demand	Anodyne	MTNR1B	43	35
COc1ccc(N2CCN(C(=O)NCCc3noc4ccccc34)CC2)cc1F	ZINC000852421126	GG	On-Demand	Clean	DRD2	15	43
COc1cccc([C@H](O)CNC(=O)NCCc2noc3ccccc23)c1	ZINC000852421128	FE	On-Demand	Anodyne	ADRB3	29	41
COc1cccc([C@H](O)CNC(=O)NCCc2noc3ccccc23)c1	ZINC000852421128	FE	On-Demand	Anodyne	MTNR1A	61	42
COc1cccc([C@H](O)CNC(=O)NCCc2noc3ccccc23)c1	ZINC000852421128	FE	On-Demand	Anodyne	MTNR1B	56	38
O=C(NCCc1noc2ccccc12)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852421130	FI	On-Demand	Anodyne	EPHX2	23	43
O=C(NCCc1noc2ccccc12)N1CCC[C@H](c2ccccc2)CC1	ZINC000852421131	FI	On-Demand	Anodyne	EPHX2	23	43
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2noc3ccccc23)c1	ZINC000852421146	GE	On-Demand	Anodyne	MTNR1A	62	42
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2noc3ccccc23)c1	ZINC000852421146	GE	On-Demand	Anodyne	MTNR1B	58	39
CNC(=O)CC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCCC1	ZINC000852421179	FB	On-Demand	Reactive	HCN1	50	31
CNC(=O)CC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCCC1	ZINC000852421179	FB	On-Demand	Reactive	HCN4	48	31
COc1cccc([C@]2(C)CCN(C(=O)NNC(=O)c3cn(C)nn3)C2)c1	ZINC000852421277	FC	On-Demand	Reactive	DRD4	40	30
CC(=O)Nc1cccc(NC(=O)CONC(=N)CC(=O)Nc2ccccc2Cl)c1	ZINC000852421296	HF	On-Demand	Anodyne	KCNK3	42	36
O=C(NCCc1noc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852421302	GF	On-Demand	Bother	SSTR1	40	44
O=C(NCCc1noc2ccccc12)NC1CCC(N2CCCCC2)CC1	ZINC000852421322	FG	On-Demand	Anodyne	L3MBTL3	55	38
O=C(NCCc1noc2ccccc12)NC[C@H](O)COc1cccc(F)c1	ZINC000852421342	FE	On-Demand	Anodyne	ADRB1	49	35
O=C(NCCc1noc2ccccc12)NC[C@H](O)COc1cccc(F)c1	ZINC000852421342	FE	On-Demand	Anodyne	PDS	33	40
O=C(NCCc1noc2ccccc12)NC[C@@H](O)COc1cccc(F)c1	ZINC000852421343	FE	On-Demand	Anodyne	ADRB1	49	35
O=C(NCCc1noc2ccccc12)NC[C@@H](O)COc1cccc(F)c1	ZINC000852421343	FE	On-Demand	Anodyne	PDS	33	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3noc4ccccc34)C2)cc1	ZINC000852421358	GF	On-Demand	Clean	MTNR1A	39	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3noc4ccccc34)C2)cc1	ZINC000852421358	GF	On-Demand	Clean	MTNR1B	30	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3noc4ccccc34)C2)cc1	ZINC000852421358	GF	On-Demand	Clean	PDK1	42	37
COc1ccc([C@@H](O)CNC(=O)NCCc2noc3ccccc23)cc1	ZINC000852421367	FE	On-Demand	Anodyne	MTNR1A	49	38
COc1ccc([C@@H](O)CNC(=O)NCCc2noc3ccccc23)cc1	ZINC000852421367	FE	On-Demand	Anodyne	MTNR1B	45	38
O=C(NCCc1noc2ccccc12)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852421376	GG	On-Demand	Anodyne	EPHX2	18	41
CCOC(=O)N1CCC(NC(=O)NCCc2noc3ccccc23)CC1	ZINC000852421380	FE	On-Demand	Anodyne	SSTR5	44	35
CCOC(=O)N1CCC(NC(=O)NCCc2noc3ccccc23)CC1	ZINC000852421380	FE	On-Demand	Anodyne	CCR8	50	45
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2noc3ccccc23)c1	ZINC000852421443	FG	On-Demand	Clean	THRB	46	35
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2noc3ccccc23)c1	ZINC000852421443	FG	On-Demand	Clean	MTNR1A	73	39
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2noc3ccccc23)c1	ZINC000852421443	FG	On-Demand	Clean	MTNR1B	64	39
COc1ccc(O)c([C@H](C)NC(=O)NCCc2noc3ccccc23)c1	ZINC000852421444	FG	On-Demand	Clean	THRB	46	35
COc1ccc(O)c([C@H](C)NC(=O)NCCc2noc3ccccc23)c1	ZINC000852421444	FG	On-Demand	Clean	MTNR1A	73	39
COc1ccc(O)c([C@H](C)NC(=O)NCCc2noc3ccccc23)c1	ZINC000852421444	FG	On-Demand	Clean	MTNR1B	64	39
COc1ccccc1N1CC[C@H](NC(=O)NNC(=O)c2cn(C)nn2)C1=O	ZINC000852421475	FB	On-Demand	Reactive	HTR1A	38	40
COc1ccccc1N1CC[C@@H](NC(=O)NNC(=O)c2cn(C)nn2)C1=O	ZINC000852421476	FB	On-Demand	Reactive	HTR1A	38	40
COc1ccccc1C[C@H]1CCCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421523	FC	On-Demand	Reactive	HCN1	52	36
COc1ccccc1C[C@H]1CCCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421523	FC	On-Demand	Reactive	HCN4	41	35
COc1ccccc1C[C@H]1CCCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421523	FC	On-Demand	Reactive	ACKR3	64	34
COc1ccccc1C[C@@H]1CCCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421524	FC	On-Demand	Reactive	HCN1	52	36
COc1ccccc1C[C@@H]1CCCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421524	FC	On-Demand	Reactive	HCN4	41	35
COc1ccccc1C[C@@H]1CCCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421524	FC	On-Demand	Reactive	ACKR3	64	34
CC(C)c1ccc(OC2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852421556	GD	On-Demand	Reactive	PRSS2	50	31
CC(C)c1ccc(OC2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852421556	GD	On-Demand	Reactive	EPHX2	18	41
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1ccccc1Cn1cccn1	ZINC000852421560	JE	On-Demand	Anodyne	FKBP1A	57	51
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1ccccc1Cn1cccn1	ZINC000852421561	JE	On-Demand	Anodyne	FKBP1A	57	51
COCCN(Cc1ccc(F)cc1Cl)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421611	GD	On-Demand	Reactive	P2RX7	38	40
CCCN(Cc1ccc(F)cc1)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421618	ED	On-Demand	Reactive	PLA2G7	45	31
CCCC[C@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(OC)cc1	ZINC000852421641	FD	On-Demand	Reactive	SOAT1	22	41
CCCC[C@@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(OC)cc1	ZINC000852421642	FD	On-Demand	Reactive	SOAT1	22	41
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1cnn(-c2ccccc2)c1	ZINC000852421650	JE	On-Demand	Anodyne	FKBP1A	55	53
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1cnn(-c2ccccc2)c1	ZINC000852421651	JE	On-Demand	Anodyne	FKBP1A	55	53
COc1ccnc(N2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852421672	FB	On-Demand	Reactive	DRD4	41	33
C[C@H]1[C@H](C)CCCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421701	CC	On-Demand	Reactive	TRPC6	51	40
C[C@H]1[C@H](C)CCCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421701	CC	On-Demand	Reactive	TRPC3	35	40
C[C@@H]1CCCN(C(=O)NNC(=O)c2cn(C)nn2)[C@@H]1C	ZINC000852421704	CC	On-Demand	Reactive	TRPC6	51	40
C[C@@H]1CCCN(C(=O)NNC(=O)c2cn(C)nn2)[C@@H]1C	ZINC000852421704	CC	On-Demand	Reactive	TRPC3	35	40
COc1ccc([C@@H]2CCN(C(=O)NNC(=O)c3cn(C)nn3)C2)cc1	ZINC000852421722	EC	On-Demand	Reactive	NPBWR1	54	30
Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852421774	GC	On-Demand	Reactive	CCR3	41	32
Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852421775	GC	On-Demand	Reactive	CCR3	41	32
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852421796	GE	On-Demand	Reactive	CPT1A	44	32
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852421797	GE	On-Demand	Reactive	CPT1A	44	32
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421823	FC	On-Demand	Reactive	DRD4	31	41
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421823	FC	On-Demand	Reactive	ACHE	43	44
CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421823	FC	On-Demand	Reactive	SIGMAR1	34	40
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	HTR1A	22	53
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	ACHE	21	42
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	HTR1D	54	46
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	HTR1B	42	46
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	NQO2	36	60
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	MPO	43	37
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	HTR1E	15	40
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	MTNR1A	111	67
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	MTNR1B	86	60
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	GHSR	38	40
COc1ccc2[nH]cc(CCNC(=O)NNC(=O)c3cn(C)nn3)c2c1	ZINC000852421867	FC	On-Demand	Reactive	ABCG2	29	48
COc1cc2c(cc1OC)CCN(C(=O)NNC(=O)c1cn(C)nn1)CC2	ZINC000852421880	FC	On-Demand	Reactive	ABCB1B	48	37
CC[C@H]1CN(C(=O)NNC(=O)c2cn(C)nn2)CC[C@H]1c1ccccc1	ZINC000852421929	FD	On-Demand	Reactive	SLC6A3	15	41
CC[C@H]1CN(C(=O)NNC(=O)c2cn(C)nn2)CC[C@@H]1c1ccccc1	ZINC000852421932	FD	On-Demand	Reactive	SLC6A3	15	41
COCCN(Cc1ccc2c(c1)OCO2)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421959	GC	On-Demand	Reactive	BMP1	61	36
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CCCC2)c1	ZINC000852421960	FD	On-Demand	Reactive	DRD4	42	32
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CCCC2)c1	ZINC000852421960	FD	On-Demand	Reactive	KCNA3	43	36
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CCCC2)c1	ZINC000852421960	FD	On-Demand	Reactive	MTNR1A	21	41
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CCCC2)c1	ZINC000852421960	FD	On-Demand	Reactive	MTNR1B	21	41
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CCCC2)c1	ZINC000852421960	FD	On-Demand	Reactive	SOAT1	22	47
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CCCC2)c1	ZINC000852421960	FD	On-Demand	Reactive	HCN1	52	36
COc1cccc(C2(CNC(=O)NNC(=O)c3cn(C)nn3)CCCC2)c1	ZINC000852421960	FD	On-Demand	Reactive	HCN4	47	33
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852421962	FD	On-Demand	Reactive	PLA2G7	41	33
O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000852421987	JE	On-Demand	Bother	FKBP1A	43	51
O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000852421987	JE	On-Demand	Bother	AKR1C3	24	42
O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000852421988	JE	On-Demand	Bother	FKBP1A	43	51
O=C(OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCN1S(=O)(=O)c1ccccc1	ZINC000852421988	JE	On-Demand	Bother	AKR1C3	24	42
CC[C@@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(C)cc1	ZINC000852421997	DD	On-Demand	Reactive	TACR3	40	36
CCOc1ccccc1[C@H](CC(C)C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422016	FD	On-Demand	Reactive	HCN1	50	33
CCOc1ccccc1[C@H](CC(C)C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422016	FD	On-Demand	Reactive	HCN4	41	33
CCOc1ccccc1[C@@H](CC(C)C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422017	FD	On-Demand	Reactive	HCN1	50	33
CCOc1ccccc1[C@@H](CC(C)C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422017	FD	On-Demand	Reactive	HCN4	41	33
Cc1ccccc1[C@H](CC(C)C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422042	ED	On-Demand	Reactive	CTSA	56	36
Cc1ccccc1[C@@H](CC(C)C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422043	ED	On-Demand	Reactive	CTSA	56	36
COc1ccc(OCCONC(=N)CC(=O)Nc2ccccc2Cl)cc1	ZINC000852422073	GG	On-Demand	Anodyne	CA9	20	41
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	FKBP1A	63	56
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	MMP13	22	41
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	ITGA4	32	42
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	CAPNS1	21	44
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	MMP3	26	41
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	CAPN1	18	45
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	MMP9	17	40
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	MMP7	28	41
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422077	JG	On-Demand	Anodyne	MMP1	27	41
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	FKBP1A	63	56
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	MMP13	22	41
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	ITGA4	32	42
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	CAPNS1	21	44
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	MMP3	26	41
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	CAPN1	18	45
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	MMP9	17	40
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	MMP7	28	41
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N[C@@H](c1ccccc1)C1CC1	ZINC000852422078	JG	On-Demand	Anodyne	MMP1	27	41
C[C@@H]1CN(C(=O)NNC(=O)c2cn(C)nn2)CC[C@@H]1c1ccccc1	ZINC000852422211	ED	On-Demand	Reactive	EPHX2	15	50
C[C@@H]1CN(C(=O)NNC(=O)c2cn(C)nn2)CC[C@H]1c1ccccc1	ZINC000852422212	ED	On-Demand	Reactive	EPHX2	15	50
CN(CCOc1ccc(Br)cc1)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852422251	GC	On-Demand	Reactive	LSS	20	40
COc1cccc(C[C@@H]2CCCN2C(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852422284	FC	On-Demand	Reactive	FKBP1A	36	41
COc1cccc(C[C@@H]2CCCN2C(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852422284	FC	On-Demand	Reactive	DRD4	43	32
COc1cccc(C[C@@H]2CCCN2C(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852422284	FC	On-Demand	Reactive	CHRNA10	43	41
COc1cccc(C[C@@H]2CCCN2C(=O)NNC(=O)c2cn(C)nn2)c1	ZINC000852422284	FC	On-Demand	Reactive	ACKR3	50	31
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852422309	JF	On-Demand	Anodyne	FKBP1A	41	50
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852422309	JF	On-Demand	Anodyne	ITGA4	32	40
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852422309	JF	On-Demand	Anodyne	F13A1	57	34
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852422309	JF	On-Demand	Anodyne	DGAT1	40	42
COc1ccc2[nH]cc(C3=CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422311	GD	On-Demand	Reactive	HTR1D	18	46
COc1ccc2[nH]cc(C3=CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422311	GD	On-Demand	Reactive	HTR1B	16	45
COc1ccc2[nH]cc(C3=CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422311	GD	On-Demand	Reactive	SLC6A4	15	56
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852422312	JF	On-Demand	Anodyne	FKBP1A	41	50
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852422312	JF	On-Demand	Anodyne	ITGA4	32	40
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852422312	JF	On-Demand	Anodyne	F13A1	57	34
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852422312	JF	On-Demand	Anodyne	DGAT1	40	42
COc1ccc2c(c1)CN(C(=O)NNC(=O)c1cn(C)nn1)CC2	ZINC000852422327	EC	On-Demand	Reactive	DRD4	41	32
COc1ccc2c(c1)CN(C(=O)NNC(=O)c1cn(C)nn1)CC2	ZINC000852422327	EC	On-Demand	Reactive	DRD5	18	40
COc1ccc2c(c1)CN(C(=O)NNC(=O)c1cn(C)nn1)CC2	ZINC000852422327	EC	On-Demand	Reactive	HDAC6	33	42
COc1ccc2c(c1)CN(C(=O)NNC(=O)c1cn(C)nn1)CC2	ZINC000852422327	EC	On-Demand	Reactive	TRPC6	15	42
COc1ccc(N2CCCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852422341	FC	On-Demand	Reactive	CCKAR	24	41
COc1ccc(N2CCCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852422341	FC	On-Demand	Reactive	NPBWR1	45	31
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	HTR1A	66	44
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	DRD2	54	44
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	DRD1	17	40
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	DRD4	31	43
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	ADRA1D	41	42
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	HTR1B	15	44
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	ADRA1A	39	42
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	DRD3	69	43
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	HTR7	50	42
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	HCN1	63	38
CCOc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852422409	FC	On-Demand	Reactive	HCN4	45	35
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1cnn(-c2ccccc2)c1	ZINC000852422427	JE	On-Demand	Anodyne	FKBP1A	61	54
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1cnn(-c2ccccc2)c1	ZINC000852422427	JE	On-Demand	Anodyne	ITGA4	29	40
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1cnn(-c2ccccc2)c1	ZINC000852422428	JE	On-Demand	Anodyne	FKBP1A	61	54
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1cnn(-c2ccccc2)c1	ZINC000852422428	JE	On-Demand	Anodyne	ITGA4	29	40
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1cccc2cccnc12	ZINC000852422432	JF	On-Demand	Anodyne	FKBP1A	51	50
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1cccc2cccnc12	ZINC000852422432	JF	On-Demand	Anodyne	ADAM17	16	44
O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1cccc2cccnc12	ZINC000852422432	JF	On-Demand	Anodyne	MMP1	16	44
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1cccc2cccnc12	ZINC000852422433	JF	On-Demand	Anodyne	FKBP1A	51	50
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1cccc2cccnc12	ZINC000852422433	JF	On-Demand	Anodyne	ADAM17	16	44
O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCCc1cccc2cccnc12	ZINC000852422433	JF	On-Demand	Anodyne	MMP1	16	44
CC(C)c1ccc(C[C@@H]2CCN(C(=O)NNC(=O)c3cn(C)nn3)C2)cc1	ZINC000852422490	FD	On-Demand	Reactive	GRIN2B	50	43
CC(C)c1ccc(C[C@@H]2CCN(C(=O)NNC(=O)c3cn(C)nn3)C2)cc1	ZINC000852422490	FD	On-Demand	Reactive	CCR3	67	36
CC(C)c1ccc(C[C@H]2CCN(C(=O)NNC(=O)c3cn(C)nn3)C2)cc1	ZINC000852422491	FD	On-Demand	Reactive	GRIN2B	50	43
CC(C)c1ccc(C[C@H]2CCN(C(=O)NNC(=O)c3cn(C)nn3)C2)cc1	ZINC000852422491	FD	On-Demand	Reactive	CCR3	67	36
CC[C@@H](CNC(=O)NNC(=O)c1cn(C)nn1)c1ccccc1	ZINC000852422511	DC	On-Demand	Reactive	SOAT1	30	40
CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852422530	FG	On-Demand	Anodyne	TIMP3	57	33
COc1ccc(OC2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852422533	FC	On-Demand	Reactive	PRSS2	57	33
COc1ccc(OC2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852422533	FC	On-Demand	Reactive	EPHX2	21	52
COc1ccc(OC2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852422533	FC	On-Demand	Reactive	SCD1	18	41
CO[C@@H](C)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852422574	EF	On-Demand	Anodyne	FPR1	44	34
Cc1ccncc1CCNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852422603	GH	On-Demand	Anodyne	ROCK2	20	41
Cc1ccncc1CCNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852422603	GH	On-Demand	Anodyne	NAMPT	28	41
COc1ccc2[nH]cc(C3CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422611	GD	On-Demand	Reactive	HTR1A	17	49
COc1ccc2[nH]cc(C3CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422611	GD	On-Demand	Reactive	HTR1D	35	49
COc1ccc2[nH]cc(C3CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422611	GD	On-Demand	Reactive	HTR1B	31	49
COc1ccc2[nH]cc(C3CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422611	GD	On-Demand	Reactive	HTR1F	94	45
COc1ccc2[nH]cc(C3CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422611	GD	On-Demand	Reactive	MTNR1A	17	52
COc1ccc2[nH]cc(C3CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422611	GD	On-Demand	Reactive	MTNR1B	17	52
COc1ccc2[nH]cc(C3CCN(C(=O)NNC(=O)c4cn(C)nn4)CC3)c2c1	ZINC000852422611	GD	On-Demand	Reactive	CCR2	29	47
CCCCCCCCCNC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422625	DD	On-Demand	Reactive	ASAH1	99	40
Cc1cccc(C(=O)N2CCCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852422638	GC	On-Demand	Reactive	KCNK3	41	36
CN(CCOc1ccccc1)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852422695	DC	On-Demand	Reactive	LTA4H	20	41
Cc1ccccc1[C@H](C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422698	DC	On-Demand	Reactive	CTSA	53	34
Cc1ccccc1[C@@H](C)NC(=O)NNC(=O)c1cn(C)nn1	ZINC000852422699	DC	On-Demand	Reactive	CTSA	53	34
CCN(Cc1ccc2c(c1)OCO2)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852422823	EC	On-Demand	Reactive	BMP1	49	36
COc1cc2c(cc1OC)CN(C(=O)NNC(=O)c1cn(C)nn1)CC2	ZINC000852422856	FC	On-Demand	Reactive	ABCB1B	56	39
COc1cc2c(cc1OC)CN(C(=O)NNC(=O)c1cn(C)nn1)CC2	ZINC000852422856	FC	On-Demand	Reactive	ABCB1	20	42
COc1cc2c(cc1OC)CN(C(=O)NNC(=O)c1cn(C)nn1)CC2	ZINC000852422856	FC	On-Demand	Reactive	ABCG2	35	42
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852422954	JD	On-Demand	Anodyne	TGM2	60	44
N=C(CC(=O)Nc1ccccc1Cl)NOCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852422954	JD	On-Demand	Anodyne	F13A1	82	44
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1	ZINC000852422982	EI	On-Demand	Anodyne	PDS	50	32
CC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)c(F)c1	ZINC000852423005	GC	On-Demand	Reactive	NPY2R	64	40
CC(=O)c1ccc(N2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)c(F)c1	ZINC000852423005	GC	On-Demand	Reactive	SLC6A9	22	45
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852423025	ED	On-Demand	Reactive	UTS2	42	32
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852423026	ED	On-Demand	Reactive	UTS2	42	32
CC[C@@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(OC)cc1	ZINC000852423035	EC	On-Demand	Reactive	TACR3	42	39
CCOc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852423062	FD	On-Demand	Reactive	CPT1A	43	34
CCOc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852423062	FD	On-Demand	Reactive	HCN1	41	32
CCOc1ccc([C@@H]2CCCN2C(=O)NNC(=O)c2cn(C)nn2)cc1	ZINC000852423062	FD	On-Demand	Reactive	HCN4	41	32
CC[C@@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(Cl)cc1	ZINC000852423112	ED	On-Demand	Reactive	TACR3	40	37
CC[C@@H](NC(=O)NNC(=O)c1cn(C)nn1)c1ccc(Cl)cc1	ZINC000852423112	ED	On-Demand	Reactive	UTS2	43	34
COc1ccc(C)cc1CN1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423124	GC	On-Demand	Reactive	SLC9A1	60	34
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	HTR1A	100	53
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	DRD2	73	49
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	DRD1	23	43
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	DRD4	42	47
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	ADRA1D	75	43
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	HTR1D	19	53
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	HTR1B	22	53
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	HTR2A	26	45
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	ADRA1A	68	43
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	ADRA1B	56	43
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	DRD3	85	49
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	PDGFRB	40	40
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	HTR7	62	45
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	SSTR1	42	37
COc1ccccc1N1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423210	FC	On-Demand	Reactive	RBP4	15	43
CCCCCNC(=O)C1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423252	FC	On-Demand	Reactive	ASAH1	79	34
Cc1ccccc1C1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423398	ED	On-Demand	Reactive	HTR1F	40	38
Cc1ccccc1C1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423398	ED	On-Demand	Reactive	RBP4	38	41
COc1cc(N2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)ncn1	ZINC000852423634	FA	On-Demand	Reactive	PDGFRB	41	36
COc1ccccc1COC1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852423775	GC	On-Demand	Reactive	SCD1	21	40
Cc1ccc(CNC(=O)C2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)cc1	ZINC000852423830	GC	On-Demand	Reactive	EPHX2	22	42
C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852423883	GE	On-Demand	Reactive	DRD1	40	33
CCN(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852423893	ED	On-Demand	Reactive	MMP11	83	33
CCN(Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cn(C)nn1	ZINC000852423893	ED	On-Demand	Reactive	GHSR	45	37
COc1cccc(C=C2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852423900	FD	On-Demand	Reactive	DRD4	44	34
CN1CCC(CNC(=O)NNC(=O)c2cn(C)nn2)(N2CCCCC2)CC1	ZINC000852423924	GB	On-Demand	Reactive	HCN1	84	45
CN1CCC(CNC(=O)NNC(=O)c2cn(C)nn2)(N2CCCCC2)CC1	ZINC000852423924	GB	On-Demand	Reactive	HCN4	57	37
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCCC1	ZINC000852423972	DD	On-Demand	Reactive	HCN1	62	37
CCC1(CNC(=O)NNC(=O)c2cn(C)nn2)CCCCC1	ZINC000852423972	DD	On-Demand	Reactive	HCN4	53	34
CC(C)CN1CCC[C@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852424016	EC	On-Demand	Reactive	CCR3	45	34
CC(C)CN1CCC[C@@H](CNC(=O)NNC(=O)c2cn(C)nn2)C1	ZINC000852424017	EC	On-Demand	Reactive	CCR3	45	34
CCc1nc2ccccc2n1C1CCN(C(=O)NNC(=O)c2cn(C)nn2)CC1	ZINC000852424056	GD	On-Demand	Reactive	FPR2	27	49
C[C@H]1c2ccccc2CCN1C(=O)NNC(=O)c1cn(C)nn1	ZINC000852424062	DC	On-Demand	Reactive	TRPC6	20	43
COc1cccc(C2CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852424120	FD	On-Demand	Reactive	DRD4	41	31
Cc1cc(C)cc(C2=CCN(C(=O)NNC(=O)c3cn(C)nn3)CC2)c1	ZINC000852424191	FD	On-Demand	Reactive	ADAM10	20	40
COC(=O)[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852424202	FG	On-Demand	Anodyne	ADRB1	24	40
COC(=O)[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852424202	FG	On-Demand	Anodyne	ADRB3	41	42
COC(=O)[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852424203	FG	On-Demand	Anodyne	ADRB1	24	40
COC(=O)[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852424203	FG	On-Demand	Anodyne	ADRB3	41	42
COC(=O)[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424224	GG	On-Demand	Anodyne	ADRB2	48	58
COC(=O)[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424224	GG	On-Demand	Anodyne	ADRB1	45	45
COC(=O)[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424224	GG	On-Demand	Anodyne	ADRB3	34	45
COC(=O)[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424224	GG	On-Demand	Anodyne	MTNR1A	42	45
COC(=O)[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424224	GG	On-Demand	Anodyne	MTNR1B	37	45
COC(=O)[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424224	GG	On-Demand	Anodyne	ABCB1	30	40
COC(=O)[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424224	GG	On-Demand	Anodyne	PDS	42	38
COC(=O)[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424226	GG	On-Demand	Anodyne	ADRB2	48	58
COC(=O)[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424226	GG	On-Demand	Anodyne	ADRB1	45	45
COC(=O)[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424226	GG	On-Demand	Anodyne	ADRB3	34	45
COC(=O)[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424226	GG	On-Demand	Anodyne	MTNR1A	42	45
COC(=O)[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424226	GG	On-Demand	Anodyne	MTNR1B	37	45
COC(=O)[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424226	GG	On-Demand	Anodyne	ABCB1	30	40
COC(=O)[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852424226	GG	On-Demand	Anodyne	PDS	42	38
COC(=O)[C@H](NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852424236	GF	On-Demand	Anodyne	GPR119	35	41
COC(=O)[C@H](NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852424237	GF	On-Demand	Anodyne	GPR119	35	41
COC(=O)[C@H](NCc1ccc(N2CCCCC2)c(C)c1)c1cccc(OC)c1	ZINC000852424272	GH	On-Demand	Clean	DRD4	44	35
COC(=O)[C@H](NCc1ccc(N2CCCCC2)c(C)c1)c1cccc(OC)c1	ZINC000852424272	GH	On-Demand	Clean	KCNQ2	60	47
COC(=O)[C@H](NCc1ccc(N2CCCCC2)c(C)c1)c1cccc(OC)c1	ZINC000852424272	GH	On-Demand	Clean	DPP7	24	43
COC(=O)[C@H](NCc1ccc(N2CCCCC2)c(C)c1)c1cccc(OC)c1	ZINC000852424272	GH	On-Demand	Clean	TAAR1	21	40
COC(=O)[C@H](NCc1cn(C)cn1)c1cccc(OC)c1	ZINC000852424293	CD	On-Demand	Anodyne	DRD4	41	31
C#CC[C@H]1CCCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852424356	FH	On-Demand	Mild	CCR3	29	43
C#CC[C@@H]1CCCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852424357	FH	On-Demand	Mild	CCR3	29	43
C[C@H]1c2ccccc2CN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424363	GJ	On-Demand	Anodyne	CCKAR	18	43
C[C@H]1c2ccccc2CN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424363	GJ	On-Demand	Anodyne	CFTR	43	32
CN(C[C@@H]1CCCN1C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424385	GG	On-Demand	Anodyne	CHRNA10	52	34
CN(C[C@@H]1CCCN1C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424385	GG	On-Demand	Anodyne	ACKR3	61	31
CN(C[C@H]1CCCN1C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424386	GG	On-Demand	Anodyne	CHRNA10	52	34
CN(C[C@H]1CCCN1C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424386	GG	On-Demand	Anodyne	ACKR3	61	31
C#CCNC(=O)CCN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424414	DC	On-Demand	Mild	DRD4	40	31
C#CCNC(=O)CCN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424414	DC	On-Demand	Mild	MTNR1A	51	41
C#CCNC(=O)CCN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424414	DC	On-Demand	Mild	MTNR1B	47	43
C#CCNC(=O)CCN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424415	DC	On-Demand	Mild	DRD4	40	31
C#CCNC(=O)CCN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424415	DC	On-Demand	Mild	MTNR1A	51	41
C#CCNC(=O)CCN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424415	DC	On-Demand	Mild	MTNR1B	47	43
COC(=O)[C@H](NCC1OCCO1)c1cccc(OC)c1	ZINC000852424416	CC	On-Demand	Anodyne	MTNR1A	44	42
COC(=O)[C@H](NCC1OCCO1)c1cccc(OC)c1	ZINC000852424416	CC	On-Demand	Anodyne	MTNR1B	41	42
COC(=O)[C@H](NCCCN(C)c1ccccc1)c1cccc(OC)c1	ZINC000852424419	EG	On-Demand	Anodyne	MTNR1A	36	42
COC(=O)[C@H](NCCCN(C)c1ccccc1)c1cccc(OC)c1	ZINC000852424419	EG	On-Demand	Anodyne	MTNR1B	37	42
COC(=O)[C@H](NCCCN(C)c1ccccc1)c1cccc(OC)c1	ZINC000852424419	EG	On-Demand	Anodyne	AOC3	16	43
COC(=O)[C@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852424425	GG	On-Demand	Anodyne	ADRB3	29	41
COC(=O)[C@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852424427	GG	On-Demand	Anodyne	ADRB3	29	41
COC[C@@H](CO)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424430	FD	On-Demand	Anodyne	PAPA1_CARPA	28	40
COC[C@@H](CO)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424430	FD	On-Demand	Anodyne	ROCK2	23	40
COC(=O)Cc1ccccc1CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424455	FE	On-Demand	Anodyne	MTNR1A	36	40
COC(=O)Cc1ccccc1CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424455	FE	On-Demand	Anodyne	MTNR1B	36	40
COC(=O)Cc1ccccc1CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424457	FE	On-Demand	Anodyne	MTNR1A	36	40
COC(=O)Cc1ccccc1CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424457	FE	On-Demand	Anodyne	MTNR1B	36	40
O=C(N[C@H]1CCCC12CCCCC2)N1CC[C@@H](c2ccccn2)C1	ZINC000852424480	EI	On-Demand	Anodyne	EPHX2	17	41
O=C(N[C@@H]1CCCC12CCCCC2)N1CC[C@H](c2ccccn2)C1	ZINC000852424482	EI	On-Demand	Anodyne	EPHX2	17	41
O=C(N[C@@H]1CCCC12CCCCC2)N1CC[C@@H](c2ccccn2)C1	ZINC000852424485	EI	On-Demand	Anodyne	EPHX2	17	41
O=C(N[C@H]1CCCC12CCCCC2)N1CC[C@H](c2ccccn2)C1	ZINC000852424487	EI	On-Demand	Anodyne	EPHX2	17	41
C#CCN1CCN(C(=O)CN[C@@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852424490	FC	On-Demand	Mild	DRD4	44	34
C#CCN1CCN(C(=O)CN[C@@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852424490	FC	On-Demand	Mild	MTNR1B	30	40
C#CCN1CCN(C(=O)CN[C@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852424492	FC	On-Demand	Mild	DRD4	44	34
C#CCN1CCN(C(=O)CN[C@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852424492	FC	On-Demand	Mild	MTNR1B	30	40
COC(=O)[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc(OC)c1	ZINC000852424505	GE	On-Demand	Anodyne	ADRB3	15	43
COC(=O)[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc(OC)c1	ZINC000852424505	GE	On-Demand	Anodyne	MMP13	28	41
COC(=O)[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc(OC)c1	ZINC000852424505	GE	On-Demand	Anodyne	MTNR1A	42	43
COC(=O)[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc(OC)c1	ZINC000852424505	GE	On-Demand	Anodyne	MTNR1B	44	43
COC(=O)[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc(OC)c1	ZINC000852424505	GE	On-Demand	Anodyne	MMP3	16	41
COC(=O)[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc(OC)c1	ZINC000852424505	GE	On-Demand	Anodyne	MMP9	16	41
COC(=O)[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc(OC)c1	ZINC000852424505	GE	On-Demand	Anodyne	MMP1	15	41
C[C@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@H]1C	ZINC000852424539	EH	On-Demand	Anodyne	CCKAR	25	45
C[C@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@H]1C	ZINC000852424539	EH	On-Demand	Anodyne	CCKBR	20	45
C[C@H]1[C@H](C)CCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424541	EH	On-Demand	Anodyne	CCKAR	25	45
C[C@H]1[C@H](C)CCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424541	EH	On-Demand	Anodyne	CCKBR	20	45
C[C@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H]1C	ZINC000852424543	EH	On-Demand	Anodyne	CCKAR	25	45
C[C@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H]1C	ZINC000852424543	EH	On-Demand	Anodyne	CCKBR	20	45
C[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H]1C	ZINC000852424545	EH	On-Demand	Anodyne	CCKAR	25	45
C[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H]1C	ZINC000852424545	EH	On-Demand	Anodyne	CCKBR	20	45
C[C@H]1CCSCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424547	GI	On-Demand	Anodyne	CCKAR	15	43
C[C@@H]1CCSCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424549	GI	On-Demand	Anodyne	CCKAR	15	43
COC(=O)[C@H](NC[C@H](O)c1ccccc1F)c1cccc(OC)c1	ZINC000852424550	EE	On-Demand	Anodyne	ADRB2	15	40
COC(=O)[C@H](NC[C@H](O)c1ccccc1F)c1cccc(OC)c1	ZINC000852424550	EE	On-Demand	Anodyne	MTNR1A	25	43
COC(=O)[C@H](NC[C@@H](O)c1ccccc1F)c1cccc(OC)c1	ZINC000852424552	EE	On-Demand	Anodyne	ADRB2	15	40
COC(=O)[C@H](NC[C@@H](O)c1ccccc1F)c1cccc(OC)c1	ZINC000852424552	EE	On-Demand	Anodyne	MTNR1A	25	43
COC(=O)[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1cccc(OC)c1	ZINC000852424563	GD	On-Demand	Anodyne	C5AR1	17	43
C#CCN(CC(=O)OC(C)(C)C)Cc1cc2ccccc2n(C)c1=O	ZINC000852424673	EE	On-Demand	Mild	MAOA	15	43
C#CCN(CC(=O)OC(C)(C)C)Cc1cc2ccccc2n(C)c1=O	ZINC000852424673	EE	On-Demand	Mild	NPSR1	35	46
C#CCN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852424681	GC	On-Demand	Mild	GPR119	20	41
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NC	ZINC000852424776	FE	On-Demand	Anodyne	ANPEP	21	45
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NC	ZINC000852424776	FE	On-Demand	Anodyne	PAPA1_CARPA	40	40
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NC	ZINC000852424776	FE	On-Demand	Anodyne	CCKAR	18	42
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NC	ZINC000852424776	FE	On-Demand	Anodyne	ROCK2	15	40
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NC	ZINC000852424776	FE	On-Demand	Anodyne	FPR1	53	37
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NC	ZINC000852424776	FE	On-Demand	Anodyne	PDS	57	32
C=C(Br)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424784	DE	On-Demand	Mild	MTNR1A	33	40
C=C(Br)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424784	DE	On-Demand	Mild	MTNR1B	33	40
C=C(Br)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424786	DE	On-Demand	Mild	MTNR1A	33	40
C=C(Br)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852424786	DE	On-Demand	Mild	MTNR1B	33	40
COC(=O)[C@H](NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852424801	GG	On-Demand	Anodyne	ADRB1	15	40
COC(=O)[C@H](NC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852424801	GG	On-Demand	Anodyne	ADRB3	21	46
COC(=O)[C@H](NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852424803	GG	On-Demand	Anodyne	ADRB1	15	40
COC(=O)[C@H](NC[C@H](O)Cc1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852424803	GG	On-Demand	Anodyne	ADRB3	21	46
COC[C@@H](O)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424820	FD	On-Demand	Anodyne	PDS	44	32
COC(=O)[C@H](NCc1c(C)nn(C)c1Cl)c1cccc(OC)c1	ZINC000852424821	EE	On-Demand	Anodyne	DRD4	41	31
COC(=O)[C@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852424823	FD	On-Demand	Anodyne	MTNR1A	38	40
COC(=O)[C@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852424823	FD	On-Demand	Anodyne	MTNR1B	42	40
COC(=O)[C@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852424823	FD	On-Demand	Anodyne	F7	17	43
COC(=O)[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424857	GF	On-Demand	Anodyne	ADRB2	47	47
COC(=O)[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424857	GF	On-Demand	Anodyne	ADRB1	65	45
COC(=O)[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424857	GF	On-Demand	Anodyne	ADRB3	51	45
COC(=O)[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424857	GF	On-Demand	Anodyne	MTNR1A	26	40
COC(=O)[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424857	GF	On-Demand	Anodyne	MTNR1B	26	40
COC(=O)[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424857	GF	On-Demand	Anodyne	PDS	54	36
COC(=O)[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424863	GF	On-Demand	Anodyne	ADRB2	47	47
COC(=O)[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424863	GF	On-Demand	Anodyne	ADRB1	65	45
COC(=O)[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424863	GF	On-Demand	Anodyne	ADRB3	51	45
COC(=O)[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424863	GF	On-Demand	Anodyne	MTNR1A	26	40
COC(=O)[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424863	GF	On-Demand	Anodyne	MTNR1B	26	40
COC(=O)[C@H](NC[C@H](O)COc1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852424863	GF	On-Demand	Anodyne	PDS	54	36
COC(=O)[C@H](NC[C@H](O)C1CC1)c1cccc(OC)c1	ZINC000852424883	CD	On-Demand	Anodyne	MTNR1A	34	43
COC(=O)[C@H](NC[C@H](O)C1CC1)c1cccc(OC)c1	ZINC000852424883	CD	On-Demand	Anodyne	MTNR1B	34	43
COC(=O)[C@H](NC[C@@H](O)C1CC1)c1cccc(OC)c1	ZINC000852424886	CD	On-Demand	Anodyne	MTNR1A	34	43
COC(=O)[C@H](NC[C@@H](O)C1CC1)c1cccc(OC)c1	ZINC000852424886	CD	On-Demand	Anodyne	MTNR1B	34	43
C#CCN(CC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-]	ZINC000852424887	DE	On-Demand	Mild	COLA	128	43
COC(=O)[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852424919	FE	On-Demand	Anodyne	MTNR1A	23	41
COC(=O)[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852424919	FE	On-Demand	Anodyne	MTNR1B	25	41
COC(=O)[C@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852424921	FE	On-Demand	Anodyne	MTNR1A	23	41
COC(=O)[C@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852424921	FE	On-Demand	Anodyne	MTNR1B	25	41
COC(=O)[C@H](NC[C@H](O)c1ccc(F)c(F)c1)c1cccc(OC)c1	ZINC000852424932	FF	On-Demand	Anodyne	ADRB3	44	43
COC(=O)[C@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1cccc(OC)c1	ZINC000852424934	FF	On-Demand	Anodyne	ADRB3	44	43
C[C@@H]1[C@@H](CO)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424935	GG	On-Demand	Anodyne	CMA1	36	40
C[C@@H]1[C@@H](CO)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424935	GG	On-Demand	Anodyne	CCKAR	19	42
C[C@H]1[C@H](CO)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424939	GG	On-Demand	Anodyne	CMA1	36	40
C[C@H]1[C@H](CO)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424939	GG	On-Demand	Anodyne	CCKAR	19	42
CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424944	GJ	On-Demand	Anodyne	CTSB	15	44
CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424944	GJ	On-Demand	Anodyne	PTGES	19	40
CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424944	GJ	On-Demand	Anodyne	LIMK2	21	41
CCN(Cc1ccccc1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852424944	GJ	On-Demand	Anodyne	PDS	66	35
O=C(NCC1CCN(C2CCOCC2)CC1)NNc1cc(Cl)ccn1	ZINC000852425017	FE	On-Demand	Reactive	CACNA1I	61	37
C#CCN(CC(=O)OC(C)(C)C)Cc1cn(Cc2ccccc2)nn1	ZINC000852425093	EE	On-Demand	Mild	KDM1A	15	41
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(S(=O)(=O)CC)cc1	ZINC000852425102	FE	On-Demand	Mild	RORC	17	45
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1ccccc1	ZINC000852425135	FD	On-Demand	Anodyne	HTR4	41	39
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1ccccc1	ZINC000852425135	FD	On-Demand	Anodyne	CACNA1I	41	32
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1ccccc1	ZINC000852425139	FD	On-Demand	Anodyne	HTR4	41	39
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1ccccc1	ZINC000852425139	FD	On-Demand	Anodyne	CACNA1I	41	32
C#CCN(CCc1c(C)nc2ccccn2c1=O)CC(=O)OC(C)(C)C	ZINC000852425167	FD	On-Demand	Mild	ADRA2A	22	41
C#CCN(CCc1c(C)nc2ccccn2c1=O)CC(=O)OC(C)(C)C	ZINC000852425167	FD	On-Demand	Mild	ADRA2B	26	41
C#CCN(CCN(Cc1ccccc1)S(C)(=O)=O)CC(=O)OC(C)(C)C	ZINC000852425180	GD	On-Demand	Mild	PTGER2	17	41
COC(=O)[C@H](NCCCOc1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852425240	FF	On-Demand	Mild	MTNR1A	47	44
COC(=O)[C@H](NCCCOc1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852425240	FF	On-Demand	Mild	MTNR1B	48	44
COC(=O)[C@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852425249	ED	On-Demand	Anodyne	NQO2	17	44
COC(=O)[C@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852425249	ED	On-Demand	Anodyne	MTNR1A	38	42
COC(=O)[C@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852425249	ED	On-Demand	Anodyne	MTNR1B	40	41
CONC(=O)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852425254	CC	On-Demand	Anodyne	MTNR1A	42	41
CONC(=O)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852425254	CC	On-Demand	Anodyne	MTNR1B	42	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852425258	FE	On-Demand	Mild	TRY2_BOVIN	17	40
C#CCN(CC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O	ZINC000852425260	FE	On-Demand	Mild	TRY2_BOVIN	17	40
CONC(=O)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852425261	CC	On-Demand	Anodyne	MTNR1A	42	41
CONC(=O)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852425261	CC	On-Demand	Anodyne	MTNR1B	42	41
C#CCN(CC(=O)OC(C)(C)C)Cc1ccncc1C#N	ZINC000852425273	CD	On-Demand	Mild	GPR119	15	44
O=C(CN1CC2(CCCC2)[C@@H]1c1ccco1)Nc1cccnc1Cl	ZINC000852425300	EH	On-Demand	Anodyne	G2YM83_BOTF4	66	34
O=C(CN1CC2(CCCC2)[C@H]1c1ccco1)Nc1cccnc1Cl	ZINC000852425303	EH	On-Demand	Anodyne	G2YM83_BOTF4	66	34
COC(=O)[C@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852425331	GE	On-Demand	Anodyne	ADRB2	19	44
COC(=O)[C@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852425331	GE	On-Demand	Anodyne	MTNR1A	39	46
COC(=O)[C@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852425331	GE	On-Demand	Anodyne	MTNR1B	44	40
COC(=O)[C@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852425335	GE	On-Demand	Anodyne	ADRB2	19	44
COC(=O)[C@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852425335	GE	On-Demand	Anodyne	MTNR1A	39	46
COC(=O)[C@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852425335	GE	On-Demand	Anodyne	MTNR1B	44	40
COC(=O)[C@H](NCCS(C)(=O)=O)c1cccc(OC)c1	ZINC000852425425	DC	On-Demand	Anodyne	MTNR1A	45	41
COC(=O)[C@H](NCCS(C)(=O)=O)c1cccc(OC)c1	ZINC000852425425	DC	On-Demand	Anodyne	MTNR1B	45	41
COC(=O)[C@H](NC[C@]1(C)C[C@@H]1Br)c1cccc(OC)c1	ZINC000852425450	EF	On-Demand	Reactive	DRD4	41	31
COC(=O)[C@H](NC[C@@]1(C)C[C@@H]1Br)c1cccc(OC)c1	ZINC000852425452	EF	On-Demand	Reactive	DRD4	41	31
COC(=O)[C@H](NC[C@]1(C)C[C@H]1Br)c1cccc(OC)c1	ZINC000852425453	EF	On-Demand	Reactive	DRD4	41	31
COC(=O)[C@H](NC[C@@]1(C)C[C@H]1Br)c1cccc(OC)c1	ZINC000852425454	EF	On-Demand	Reactive	DRD4	41	31
COC(=O)[C@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852425456	EF	On-Demand	Anodyne	DRD4	41	31
COC(=O)[C@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852425456	EF	On-Demand	Anodyne	MTNR1A	46	48
COC(=O)[C@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852425456	EF	On-Demand	Anodyne	MTNR1B	49	48
COC(=O)[C@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852425456	EF	On-Demand	Anodyne	AOC3	17	50
COC(=O)[C@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852425459	EF	On-Demand	Anodyne	DRD4	41	31
COC(=O)[C@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852425459	EF	On-Demand	Anodyne	MTNR1A	46	48
COC(=O)[C@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852425459	EF	On-Demand	Anodyne	MTNR1B	49	48
COC(=O)[C@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852425459	EF	On-Demand	Anodyne	AOC3	17	50
COC(=O)[C@H](NCc1ccc2c(c1)CCC(=O)N2C)c1cccc(OC)c1	ZINC000852425471	FF	On-Demand	Anodyne	DRD4	43	33
COC(=O)[C@H](NCc1ccc(OCC(N)=O)cc1)c1cccc(OC)c1	ZINC000852425480	FD	On-Demand	Anodyne	AOC3	15	41
COC(=O)[C@H](NC[Si](C)(C)C)c1cccc(OC)c1	ZINC000852425493	CE	On-Demand	Anodyne	MTNR1A	40	41
COC(=O)[C@H](NC[Si](C)(C)C)c1cccc(OC)c1	ZINC000852425493	CE	On-Demand	Anodyne	MTNR1B	41	41
CN(Cc1ncc(Cl)n1C)C(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852425536	GE	On-Demand	Anodyne	CACNA1I	55	36
C#CCN(CC(=O)OC(C)(C)C)C[C@H](O)c1cccnc1	ZINC000852425555	CD	On-Demand	Mild	CYP51A1	17	42
C#CCN(CC(=O)OC(C)(C)C)C[C@@H](O)c1cccnc1	ZINC000852425556	CD	On-Demand	Mild	CYP51A1	17	42
Cc1ccccc1CC(=O)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852425651	GD	On-Demand	Reactive	GRIN2B	15	46
Cc1ccccc1CC(=O)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852425651	GD	On-Demand	Reactive	CCR3	17	47
C#CCN(CC(=O)Nc1cccc(C(C)=O)c1)CC(=O)OC(C)(C)C	ZINC000852425676	EE	On-Demand	Mild	KCNK3	43	32
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(C#N)s1	ZINC000852425685	CE	On-Demand	Mild	NR1D1	19	44
Cc1ccccc1[C@@H](O)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852425753	GE	On-Demand	Anodyne	HTR4	47	41
Cc1ccccc1[C@@H](O)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852425753	GE	On-Demand	Anodyne	CACNA1I	46	33
Cc1ccccc1[C@H](O)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852425754	GE	On-Demand	Anodyne	HTR4	47	41
Cc1ccccc1[C@H](O)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852425754	GE	On-Demand	Anodyne	CACNA1I	46	33
CCOC(=O)C1=C(CN[C@@H](C(=O)OC)c2cccc(OC)c2)NC(=O)N[C@@H]1C	ZINC000852425762	GD	On-Demand	Anodyne	CACNA1D	62	35
CCOC(=O)C1=C(CN[C@H](C(=O)OC)c2cccc(OC)c2)NC(=O)N[C@@H]1C	ZINC000852425763	GD	On-Demand	Anodyne	CACNA1D	62	35
CCOC(=O)C1=C(CN[C@@H](C(=O)OC)c2cccc(OC)c2)NC(=O)N[C@H]1C	ZINC000852425764	GD	On-Demand	Anodyne	CACNA1D	62	35
CCOC(=O)C1=C(CN[C@H](C(=O)OC)c2cccc(OC)c2)NC(=O)N[C@H]1C	ZINC000852425765	GD	On-Demand	Anodyne	CACNA1D	62	35
COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852425774	GF	On-Demand	Clean	CHRM2	43	34
COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852425774	GF	On-Demand	Clean	THRA	53	33
COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852425774	GF	On-Demand	Clean	THRB	54	36
COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852425774	GF	On-Demand	Clean	CACNA1I	41	32
COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852425775	GF	On-Demand	Clean	CHRM2	43	34
COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852425775	GF	On-Demand	Clean	THRA	53	33
COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852425775	GF	On-Demand	Clean	THRB	54	36
COc1ccc(O)c([C@@H](C)NC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852425775	GF	On-Demand	Clean	CACNA1I	41	32
COc1ccc([C@@H](O)CNC(=O)NCC2CCN(C3CCOCC3)CC2)cc1	ZINC000852425799	GD	On-Demand	Anodyne	CHRM2	44	37
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCCC23CCCCC3)CC1	ZINC000852425801	FG	On-Demand	Anodyne	EPHX2	28	48
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCCC23CCCCC3)CC1	ZINC000852425801	FG	On-Demand	Anodyne	CCR8	15	40
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCCC23CCCCC3)CC1	ZINC000852425803	FG	On-Demand	Anodyne	EPHX2	28	48
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCCC23CCCCC3)CC1	ZINC000852425803	FG	On-Demand	Anodyne	CCR8	15	40
COc1ccc2c(CN3CCCC[C@@H]3[C@H](C)CO)cc(=O)oc2c1	ZINC000852425917	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCCC[C@@H]3[C@H](C)CO)cc(=O)oc2c1	ZINC000852425917	EF	On-Demand	Anodyne	MAOB	20	47
COc1ccc2c(CN3CCCC[C@H]3[C@H](C)CO)cc(=O)oc2c1	ZINC000852425921	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCCC[C@H]3[C@H](C)CO)cc(=O)oc2c1	ZINC000852425921	EF	On-Demand	Anodyne	MAOB	20	47
COc1ccc2c(CN3CCCC[C@H]3[C@@H](C)CO)cc(=O)oc2c1	ZINC000852425924	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCCC[C@H]3[C@@H](C)CO)cc(=O)oc2c1	ZINC000852425924	EF	On-Demand	Anodyne	MAOB	20	47
COc1ccc2c(CN3CCCC[C@@H]3[C@@H](C)CO)cc(=O)oc2c1	ZINC000852425927	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCCC[C@@H]3[C@@H](C)CO)cc(=O)oc2c1	ZINC000852425927	EF	On-Demand	Anodyne	MAOB	20	47
C[C@H]1C(=O)N(C)CCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425992	GE	On-Demand	Anodyne	CCKAR	15	45
C[C@H]1[C@@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425993	FG	On-Demand	Anodyne	CMA1	37	41
C[C@H]1[C@@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425993	FG	On-Demand	Anodyne	CTRA_BOVIN	21	40
C[C@H]1[C@@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425993	FG	On-Demand	Anodyne	CCKAR	24	43
C[C@H]1[C@@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425993	FG	On-Demand	Anodyne	CCKBR	15	43
C[C@@H]1[C@@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425994	FG	On-Demand	Anodyne	CMA1	37	41
C[C@@H]1[C@@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425994	FG	On-Demand	Anodyne	CTRA_BOVIN	21	40
C[C@@H]1[C@@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425994	FG	On-Demand	Anodyne	CCKAR	24	43
C[C@@H]1[C@@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425994	FG	On-Demand	Anodyne	CCKBR	15	43
C[C@H]1[C@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425996	FG	On-Demand	Anodyne	CMA1	37	41
C[C@H]1[C@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425996	FG	On-Demand	Anodyne	CTRA_BOVIN	21	40
C[C@H]1[C@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425996	FG	On-Demand	Anodyne	CCKAR	24	43
C[C@H]1[C@H](O)CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852425996	FG	On-Demand	Anodyne	CCKBR	15	43
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)N1CCc2ccccc21	ZINC000852426027	HG	On-Demand	Anodyne	KCNQ2	52	38
CCOC(=O)N1CCC(NC(=O)CN2CC3(CCCC3)[C@@H]2c2ccco2)CC1	ZINC000852426042	GF	On-Demand	Anodyne	CCR8	26	40
CCOC(=O)N1CCC(NC(=O)CN2CC3(CCCC3)[C@H]2c2ccco2)CC1	ZINC000852426043	GF	On-Demand	Anodyne	CCR8	26	40
COC(=O)[C@H](NC[C@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852426059	EE	On-Demand	Anodyne	ADRB3	41	43
COC(=O)[C@H](NC[C@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852426059	EE	On-Demand	Anodyne	AOC3	16	54
COC(=O)[C@H](NC[C@@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852426060	EE	On-Demand	Anodyne	ADRB3	41	43
COC(=O)[C@H](NC[C@@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852426060	EE	On-Demand	Anodyne	AOC3	16	54
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@H]1CCCC12CCCCC2	ZINC000852426081	FH	On-Demand	Reactive	NMBR	63	31
O=C(NNC(=O)c1c[nH]c2ccccc12)N[C@@H]1CCCC12CCCCC2	ZINC000852426082	FH	On-Demand	Reactive	NMBR	63	31
CO[C@H]1CCCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852426089	FG	On-Demand	Anodyne	CCR3	20	41
CC(=O)N1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H](C)C1	ZINC000852426165	GF	On-Demand	Anodyne	CCKAR	21	43
CC(=O)N1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H](C)C1	ZINC000852426165	GF	On-Demand	Anodyne	CCR3	23	41
CC(=O)N1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@@H](C)C1	ZINC000852426165	GF	On-Demand	Anodyne	CCKBR	15	43
CC(=O)N1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@H](C)C1	ZINC000852426166	GF	On-Demand	Anodyne	CCKAR	21	43
CC(=O)N1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@H](C)C1	ZINC000852426166	GF	On-Demand	Anodyne	CCR3	23	41
CC(=O)N1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)[C@H](C)C1	ZINC000852426166	GF	On-Demand	Anodyne	CCKBR	15	43
O=C(NCC1CCN(C2CCOCC2)CC1)NNC(=O)c1ccoc1	ZINC000852426211	FD	On-Demand	Reactive	CACNA1I	59	34
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCCC23CCCCC3)c1	ZINC000852426216	EH	On-Demand	Anodyne	MTNR1A	29	40
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCCC23CCCCC3)c1	ZINC000852426216	EH	On-Demand	Anodyne	MTNR1B	29	40
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000852426219	GD	On-Demand	Mild	SFRP1	90	38
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000852426219	GD	On-Demand	Mild	WNT3	58	36
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1ccc(F)cc1	ZINC000852426232	GE	On-Demand	Anodyne	CACNA1I	41	36
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1ccc(F)cc1	ZINC000852426233	GE	On-Demand	Anodyne	CACNA1I	41	36
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1ccccc1Cl	ZINC000852426258	GF	On-Demand	Anodyne	HTR4	41	39
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1ccccc1Cl	ZINC000852426258	GF	On-Demand	Anodyne	CACNA1I	54	36
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1ccccc1Cl	ZINC000852426259	GF	On-Demand	Anodyne	HTR4	41	39
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1ccccc1Cl	ZINC000852426259	GF	On-Demand	Anodyne	CACNA1I	54	36
C#CCNC(=O)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852426261	CC	On-Demand	Mild	MTNR1B	38	47
C#CCNC(=O)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852426262	CC	On-Demand	Mild	MTNR1B	38	47
CCOC(=O)N1CCN(C(=O)CN[C@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852426285	GC	On-Demand	Anodyne	DRD4	41	33
CCOC(=O)N1CCN(C(=O)CN[C@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852426285	GC	On-Demand	Anodyne	P2RY12	59	42
CCOC(=O)N1CCN(C(=O)CN[C@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852426285	GC	On-Demand	Anodyne	MTNR1B	48	41
CCOC(=O)N1CCN(C(=O)CN[C@@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852426286	GC	On-Demand	Anodyne	DRD4	41	33
CCOC(=O)N1CCN(C(=O)CN[C@@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852426286	GC	On-Demand	Anodyne	P2RY12	59	42
CCOC(=O)N1CCN(C(=O)CN[C@@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852426286	GC	On-Demand	Anodyne	MTNR1B	48	41
CC(=O)NCCN(C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426337	FE	On-Demand	Anodyne	NQO2	22	42
CC(=O)NCCN(C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426337	FE	On-Demand	Anodyne	MTNR1A	19	42
CC(=O)NCCN(C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426337	FE	On-Demand	Anodyne	MTNR1B	17	42
Cn1nccc1[C@H](CO)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426398	GE	On-Demand	Anodyne	FPR1	43	33
Cn1nccc1[C@@H](CO)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426399	GE	On-Demand	Anodyne	FPR1	43	33
COc1cccc([C@H](O)CNC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852426417	GD	On-Demand	Anodyne	DRD4	40	31
COc1cccc([C@H](O)CNC(=O)NCC2CCN(C3CCOCC3)CC2)c1	ZINC000852426417	GD	On-Demand	Anodyne	CCR3	25	41
O=C(NCC1CCN(C2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852426433	GE	On-Demand	Reactive	HRH3	22	42
O=C(NCC1CCN(C2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852426433	GE	On-Demand	Reactive	EPHX2	15	43
O=C(NCC1CCN(C2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852426433	GE	On-Demand	Reactive	CACNA1I	83	55
COc1ccccc1[C@@H](O)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852426438	GD	On-Demand	Anodyne	DRD2	23	41
COc1ccccc1[C@@H](O)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852426438	GD	On-Demand	Anodyne	HTR4	47	40
COc1ccccc1[C@@H](O)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852426438	GD	On-Demand	Anodyne	CCR3	22	45
COc1ccccc1[C@@H](O)CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852426438	GD	On-Demand	Anodyne	CACNA1I	44	33
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852426443	JJ	On-Demand	Anodyne	TSHR	42	34
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852426443	JJ	On-Demand	Anodyne	PPIA	22	42
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852426443	JJ	On-Demand	Anodyne	LTA4H	29	56
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852426443	JJ	On-Demand	Anodyne	PTGER1	17	40
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	ZINC000852426443	JJ	On-Demand	Anodyne	CA1	19	42
COC(=O)[C@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852426477	FF	On-Demand	Anodyne	MTNR1A	40	41
COC(=O)[C@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852426477	FF	On-Demand	Anodyne	MTNR1B	41	41
COC(=O)[C@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852426477	FF	On-Demand	Anodyne	FAAH	25	43
COC(=O)[C@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852426477	FF	On-Demand	Anodyne	EPHX2	15	44
O=C(CNC(=O)NCC1CCN(C2CCOCC2)CC1)NCc1ccccc1	ZINC000852426480	GD	On-Demand	Anodyne	ACHE	18	41
O=C(CNC(=O)NCC1CCN(C2CCOCC2)CC1)NCc1ccccc1	ZINC000852426480	GD	On-Demand	Anodyne	HTR4	50	38
O=C(CNC(=O)NCC1CCN(C2CCOCC2)CC1)NCc1ccccc1	ZINC000852426480	GD	On-Demand	Anodyne	SIGMAR1	18	40
O=C(CNC(=O)NCC1CCN(C2CCOCC2)CC1)NCc1ccccc1	ZINC000852426480	GD	On-Demand	Anodyne	CCR3	25	41
O=C(CNC(=O)NCC1CCN(C2CCOCC2)CC1)NCc1ccccc1	ZINC000852426480	GD	On-Demand	Anodyne	CACNA1I	41	35
O=C(CCc1ccccc1)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852426490	GD	On-Demand	Reactive	GRIN2B	43	43
COC(=O)/C=C\c1ccc(OCCN2CCCC[C@@H]2[C@H](C)CO)cc1	ZINC000852426521	EF	On-Demand	Anodyne	LTA4H	24	42
COC(=O)/C=C\c1ccc(OCCN2CCCC[C@@H]2[C@H](C)CO)cc1	ZINC000852426521	EF	On-Demand	Anodyne	HRH3	27	43
COC(=O)/C=C\c1ccc(OCCN2CCCC[C@@H]2[C@@H](C)CO)cc1	ZINC000852426523	EF	On-Demand	Anodyne	LTA4H	24	42
COC(=O)/C=C\c1ccc(OCCN2CCCC[C@@H]2[C@@H](C)CO)cc1	ZINC000852426523	EF	On-Demand	Anodyne	HRH3	27	43
CCN1CCC[C@H](CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852426558	GH	On-Demand	Anodyne	CCR3	79	43
CCN1CCC[C@H](CNC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852426558	GH	On-Demand	Anodyne	CACNA1I	49	34
CN1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1=O	ZINC000852426569	FE	On-Demand	Anodyne	P2RY14	41	31
Cc1ccccc1[C@H](CO)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426576	GH	On-Demand	Anodyne	CCKAR	19	40
Cc1ccccc1[C@H](CO)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426576	GH	On-Demand	Anodyne	FPR1	44	35
Cc1ccccc1[C@@H](CO)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426577	GH	On-Demand	Anodyne	CCKAR	19	40
Cc1ccccc1[C@@H](CO)NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426577	GH	On-Demand	Anodyne	FPR1	44	35
O=C(NNC(=O)N[C@H]1CCCC12CCCCC2)Nc1ccc(OC(F)F)cc1	ZINC000852426610	GI	On-Demand	Reactive	EPHX2	23	40
O=C(NNC(=O)N[C@@H]1CCCC12CCCCC2)Nc1ccc(OC(F)F)cc1	ZINC000852426611	GI	On-Demand	Reactive	EPHX2	23	40
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852426657	GF	On-Demand	Anodyne	ADRB1	29	43
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852426657	GF	On-Demand	Anodyne	ADRB3	44	43
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852426657	GF	On-Demand	Anodyne	IGF1R	27	41
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852426657	GF	On-Demand	Anodyne	CYP3A4	52	41
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852426657	GF	On-Demand	Anodyne	CACNA1I	58	42
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852426658	GF	On-Demand	Anodyne	ADRB1	29	43
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852426658	GF	On-Demand	Anodyne	ADRB3	44	43
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852426658	GF	On-Demand	Anodyne	IGF1R	27	41
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852426658	GF	On-Demand	Anodyne	CYP3A4	52	41
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852426658	GF	On-Demand	Anodyne	CACNA1I	58	42
Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@@H]2[C@H](C)CO)c1	ZINC000852426747	ED	On-Demand	Reactive	KCNK3	48	35
Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@@H]2[C@@H](C)CO)c1	ZINC000852426748	ED	On-Demand	Reactive	KCNK3	48	35
Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@H]2[C@@H](C)CO)c1	ZINC000852426749	ED	On-Demand	Reactive	KCNK3	48	35
Cc1cccc(C(=O)NNC(=O)CN2CCCC[C@H]2[C@H](C)CO)c1	ZINC000852426750	ED	On-Demand	Reactive	KCNK3	48	35
C[C@H](C(=O)Nc1cccnc1Cl)N1CC2(CCCC2)[C@@H]1c1ccco1	ZINC000852426805	FI	On-Demand	Anodyne	G2YM83_BOTF4	69	36
C[C@H](C(=O)Nc1cccnc1Cl)N1CC2(CCCC2)[C@H]1c1ccco1	ZINC000852426806	FI	On-Demand	Anodyne	G2YM83_BOTF4	69	36
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@H](O)c1cccc(F)c1	ZINC000852426822	GE	On-Demand	Anodyne	CACNA1I	44	32
O=C(NCC1CCN(C2CCOCC2)CC1)NC[C@@H](O)c1cccc(F)c1	ZINC000852426823	GE	On-Demand	Anodyne	CACNA1I	44	32
O=C(NCc1ccccc1O)NCC1CCN(C2CCOCC2)CC1	ZINC000852426826	EE	On-Demand	Clean	CACNA1I	46	35
COc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCCC12CCCCC2	ZINC000852426851	EH	On-Demand	Anodyne	KCNA3	40	38
COc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCCC12CCCCC2	ZINC000852426851	EH	On-Demand	Anodyne	HCN1	55	36
COc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCCC12CCCCC2	ZINC000852426851	EH	On-Demand	Anodyne	HCN4	52	36
COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCCC12CCCCC2	ZINC000852426853	EH	On-Demand	Anodyne	KCNA3	40	38
COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCCC12CCCCC2	ZINC000852426853	EH	On-Demand	Anodyne	HCN1	55	36
COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCCC12CCCCC2	ZINC000852426853	EH	On-Demand	Anodyne	HCN4	52	36
COC(=O)[C@H](NC[C@@H]1CC1(Cl)Cl)c1cccc(OC)c1	ZINC000852426861	DF	On-Demand	Anodyne	DRD4	40	30
COC(=O)[C@H](NC[C@H]1CC1(Cl)Cl)c1cccc(OC)c1	ZINC000852426864	DF	On-Demand	Anodyne	DRD4	40	30
O=C(NCC(=O)OCc1ccccc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852426878	GD	On-Demand	Anodyne	HTR4	35	43
O=C(NCC(=O)OCc1ccccc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852426878	GD	On-Demand	Anodyne	GRIN2B	40	43
O=C(NCC(=O)OCc1ccccc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852426878	GD	On-Demand	Anodyne	CTSS	21	41
O=C(NCC(=O)OCc1ccccc1)NCC1CCN(C2CCOCC2)CC1	ZINC000852426878	GD	On-Demand	Anodyne	CACNA1I	41	35
Cc1cc([C@@](C)(O)CNC(=O)NCC2CCN(C3CCOCC3)CC2)c(C)o1	ZINC000852426892	GE	On-Demand	Anodyne	CACNA1I	56	35
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852426894	GH	On-Demand	Anodyne	SLC18A3	52	36
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852426894	GH	On-Demand	Anodyne	SMO	23	43
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852426894	GH	On-Demand	Anodyne	L3MBTL3	49	34
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852426895	GH	On-Demand	Anodyne	SLC18A3	52	36
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852426895	GH	On-Demand	Anodyne	SMO	23	43
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852426895	GH	On-Demand	Anodyne	L3MBTL3	49	34
CC(=O)N[C@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852426900	GE	On-Demand	Anodyne	EPHX2	25	40
CC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852426901	GE	On-Demand	Anodyne	EPHX2	25	40
COc1ccc2c(c1)CN(C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C2	ZINC000852426930	GI	On-Demand	Anodyne	HDAC8	15	40
COc1ccc2c(c1)CN(C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)C2	ZINC000852426930	GI	On-Demand	Anodyne	ROCK2	22	42
CC[C@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852426988	EH	On-Demand	Anodyne	CCR3	40	41
CC[C@H]1CCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852426988	EH	On-Demand	Anodyne	GPR119	20	40
CC[C@@H](C)CN(C)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852426996	EI	On-Demand	Anodyne	PDS	54	33
COC(=O)[C@H](NCCOC(F)F)c1cccc(OC)c1	ZINC000852427161	CD	On-Demand	Anodyne	MTNR1A	42	41
COC(=O)[C@H](NCCOC(F)F)c1cccc(OC)c1	ZINC000852427161	CD	On-Demand	Anodyne	MTNR1B	42	41
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	HTR1A	24	45
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	DRD2	21	44
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	DRD4	58	44
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	HRH2	26	40
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	DRD3	36	44
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	OPRK1	17	44
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	AVPR1B	31	40
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	HTR4	26	53
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	CASR	25	43
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	KCNQ2	22	44
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	HRH3	19	48
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	SIGMAR1	24	43
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	MTNR1A	53	42
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	MTNR1B	61	42
COC(=O)[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852427197	CD	On-Demand	Anodyne	EBP	45	42
COC(=O)[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427234	GF	On-Demand	Anodyne	DRD4	43	33
COC(=O)[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427234	GF	On-Demand	Anodyne	HRH3	22	41
COC(=O)[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427234	GF	On-Demand	Anodyne	DPP7	37	45
COC(=O)[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427234	GF	On-Demand	Anodyne	L3MBTL3	40	33
COC(=O)[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427234	GF	On-Demand	Anodyne	HPGD	23	43
COC(=O)[C@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852427241	DC	On-Demand	Mild	DRD4	41	31
COC(=O)[C@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852427241	DC	On-Demand	Mild	MTNR1A	46	40
COC(=O)[C@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852427241	DC	On-Demand	Mild	MTNR1B	43	40
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCCCCCC1	ZINC000852427253	EF	On-Demand	Anodyne	L3MBTL3	42	35
C[C@@H](ONC(=N)CC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852427303	II	On-Demand	Anodyne	P2RY1	40	39
O=C(NCC1CCN(C2CCOCC2)CC1)NNc1ccc(Cl)nn1	ZINC000852427314	FD	On-Demand	Reactive	CACNA1I	50	34
COC(=O)[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852427323	DE	On-Demand	Anodyne	ADRB2	38	40
COC(=O)[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852427323	DE	On-Demand	Anodyne	ADRB1	41	43
COC(=O)[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852427323	DE	On-Demand	Anodyne	ADRB3	66	48
COC(=O)[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852427323	DE	On-Demand	Anodyne	MTNR1A	39	45
COC(=O)[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852427323	DE	On-Demand	Anodyne	MTNR1B	42	45
COC(=O)[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852427323	DE	On-Demand	Anodyne	AOC3	20	59
O=C(NCC1CCN(C2CCOCC2)CC1)NNC(=O)c1c[nH]c2ccccc12	ZINC000852427329	GE	On-Demand	Reactive	HTR4	73	43
COC(=O)[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852427335	GE	On-Demand	Clean	MTNR1A	20	41
COC(=O)[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852427335	GE	On-Demand	Clean	MTNR1B	24	41
COC(=O)[C@H](NCCC(OC)OC)c1cccc(OC)c1	ZINC000852427341	CD	On-Demand	Anodyne	DRD4	42	32
COC(=O)[C@H](NCCC(OC)OC)c1cccc(OC)c1	ZINC000852427341	CD	On-Demand	Anodyne	MTNR1A	43	45
COC(=O)[C@H](NCCC(OC)OC)c1cccc(OC)c1	ZINC000852427341	CD	On-Demand	Anodyne	MTNR1B	44	45
O=C(Cc1ccccc1F)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427396	GD	On-Demand	Reactive	GRIN2B	15	44
O=C(NCC1CCN(C2CCOCC2)CC1)NNc1ccccn1	ZINC000852427430	ED	On-Demand	Reactive	GRIN2B	25	44
COc1ccccc1[C@@H](NC(=O)N[C@H]1CCCC12CCCCC2)c1nccn1C	ZINC000852427436	GI	On-Demand	Anodyne	HCN1	50	32
COc1ccccc1[C@@H](NC(=O)N[C@H]1CCCC12CCCCC2)c1nccn1C	ZINC000852427436	GI	On-Demand	Anodyne	HCN4	48	32
COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCCC12CCCCC2)c1nccn1C	ZINC000852427437	GI	On-Demand	Anodyne	HCN1	50	32
COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCCC12CCCCC2)c1nccn1C	ZINC000852427437	GI	On-Demand	Anodyne	HCN4	48	32
O=c1cc(CN2CC3(CCCC3)[C@@H]2c2ccco2)c2ccc(O)cc2o1	ZINC000852427442	FI	On-Demand	Anodyne	HSD17B3	28	46
O=c1cc(CN2CC3(CCCC3)[C@H]2c2ccco2)c2ccc(O)cc2o1	ZINC000852427443	FI	On-Demand	Anodyne	HSD17B3	28	46
COC(=O)[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852427486	EF	On-Demand	Anodyne	ADRB2	21	42
COC(=O)[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852427486	EF	On-Demand	Anodyne	ADRB1	37	42
COC(=O)[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852427486	EF	On-Demand	Anodyne	ADRB3	56	45
COC(=O)[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852427486	EF	On-Demand	Anodyne	AOC3	16	54
CONC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852427491	CE	On-Demand	Anodyne	ROCK2	30	46
CONC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852427491	CE	On-Demand	Anodyne	NAMPT	16	41
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1nccs1	ZINC000852427505	GI	On-Demand	Anodyne	ROCK2	18	41
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1nccs1	ZINC000852427505	GI	On-Demand	Anodyne	PDS	54	33
COC(=O)[C@H](NC[C@H](O)c1ccccc1Cl)c1cccc(OC)c1	ZINC000852427509	EF	On-Demand	Anodyne	ADRB2	17	42
COC(=O)[C@H](NC[C@H](O)c1ccccc1Cl)c1cccc(OC)c1	ZINC000852427509	EF	On-Demand	Anodyne	ADRB3	34	41
COC(=O)[C@H](NC[C@H](O)c1ccccc1Cl)c1cccc(OC)c1	ZINC000852427509	EF	On-Demand	Anodyne	MTNR1A	25	42
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427520	GF	On-Demand	Clean	CACNA1I	40	35
O=C(Cc1ccc(F)cc1)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427522	GD	On-Demand	Reactive	GRIN2B	18	42
O=C(Cc1ccc(F)cc1)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427522	GD	On-Demand	Reactive	CCR3	62	41
O=C(Cc1ccc(F)cc1)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427522	GD	On-Demand	Reactive	CACNA1I	44	42
CONC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427533	CC	On-Demand	Anodyne	CACNA1I	49	34
CC(C)(C)CC(=O)NNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427546	FD	On-Demand	Reactive	CACNA1I	50	38
CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427550	GI	On-Demand	Anodyne	CACNA1I	48	35
CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852427552	GI	On-Demand	Anodyne	CACNA1I	48	35
CCOC[C@H]1CCCN(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852427586	GH	On-Demand	Anodyne	CCR3	33	44
COC(=O)[C@H](NCC[S@](C)=O)c1cccc(OC)c1	ZINC000852427592	CC	On-Demand	Anodyne	DRD4	42	32
COC(=O)[C@H](NCC[S@](C)=O)c1cccc(OC)c1	ZINC000852427592	CC	On-Demand	Anodyne	MTNR1A	41	41
COC(=O)[C@H](NCC[S@](C)=O)c1cccc(OC)c1	ZINC000852427592	CC	On-Demand	Anodyne	MTNR1B	43	41
COC(=O)[C@H](NCC[S@@](C)=O)c1cccc(OC)c1	ZINC000852427594	CC	On-Demand	Anodyne	DRD4	42	32
COC(=O)[C@H](NCC[S@@](C)=O)c1cccc(OC)c1	ZINC000852427594	CC	On-Demand	Anodyne	MTNR1A	41	41
COC(=O)[C@H](NCC[S@@](C)=O)c1cccc(OC)c1	ZINC000852427594	CC	On-Demand	Anodyne	MTNR1B	43	41
CN1CCC(CN(C)C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852427604	GH	On-Demand	Anodyne	CCR3	43	37
COC(=O)[C@H](NCC[C@@H]1CC1(Cl)Cl)c1cccc(OC)c1	ZINC000852427610	EG	On-Demand	Anodyne	DRD4	41	31
COC(=O)[C@H](NCC[C@H]1CC1(Cl)Cl)c1cccc(OC)c1	ZINC000852427611	EG	On-Demand	Anodyne	DRD4	41	31
COC(=O)[C@H](NCc1cncc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852427617	FG	On-Demand	Anodyne	CSNK1D	17	41
CCC(CC)[C@@H](O)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852427733	GH	On-Demand	Anodyne	PDS	57	33
CCC(CC)[C@H](O)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852427734	GH	On-Demand	Anodyne	PDS	57	33
COC(=O)[C@H](NCc1ncc(C(C)C)o1)c1cccc(OC)c1	ZINC000852427738	DF	On-Demand	Anodyne	MTNR1A	21	40
COC(=O)[C@H](NCc1ncc(C(C)C)o1)c1cccc(OC)c1	ZINC000852427738	DF	On-Demand	Anodyne	MTNR1B	23	40
COC(=O)[C@H](NCC(OC)OC)c1cccc(OC)c1	ZINC000852427739	CD	On-Demand	Anodyne	MTNR1A	38	43
COC(=O)[C@H](NCC(OC)OC)c1cccc(OC)c1	ZINC000852427739	CD	On-Demand	Anodyne	MTNR1B	40	43
COC(=O)[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(OC)c1	ZINC000852427742	GG	On-Demand	Anodyne	LUCI_PHOPY	79	59
COC(=O)[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(OC)c1	ZINC000852427744	GG	On-Demand	Anodyne	LUCI_PHOPY	79	59
COC(=O)[C@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852427758	GH	On-Demand	Anodyne	ADRB1	29	41
COC(=O)[C@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852427758	GH	On-Demand	Anodyne	ADRB3	42	43
COC(=O)[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852427759	GH	On-Demand	Anodyne	ADRB1	29	41
COC(=O)[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852427759	GH	On-Demand	Anodyne	ADRB3	42	43
COC(=O)[C@H](NCc1ncc(Cl)n1C)c1cccc(OC)c1	ZINC000852427763	DE	On-Demand	Anodyne	DRD4	42	32
COC(=O)[C@H](NCc1cccc(Br)n1)c1cccc(OC)c1	ZINC000852427782	FF	On-Demand	Anodyne	MTNR1A	27	41
COC(=O)[C@H](NCc1cccc(Br)n1)c1cccc(OC)c1	ZINC000852427782	FF	On-Demand	Anodyne	MTNR1B	27	41
COC(=O)[C@H](NCCC1OCCCO1)c1cccc(OC)c1	ZINC000852427794	DD	On-Demand	Anodyne	DRD4	41	31
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccncc1	ZINC000852427795	GI	On-Demand	Anodyne	ROCK2	23	44
CC[C@@H](NC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccncc1	ZINC000852427795	GI	On-Demand	Anodyne	PDS	55	33
CN(Cc1ccsc1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852427808	GI	On-Demand	Anodyne	PAPA1_CARPA	18	40
COC(=O)[C@H](NCCCN1CCOC1=O)c1cccc(OC)c1	ZINC000852427810	DD	On-Demand	Anodyne	DRD4	43	32
COC(=O)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427815	GF	On-Demand	Anodyne	DRD4	48	41
COC(=O)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427815	GF	On-Demand	Anodyne	CASR	17	41
COC(=O)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427815	GF	On-Demand	Anodyne	KCNQ2	43	46
COC(=O)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427815	GF	On-Demand	Anodyne	NPY2R	22	43
COC(=O)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427815	GF	On-Demand	Anodyne	MTNR1A	23	42
COC(=O)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427815	GF	On-Demand	Anodyne	MTNR1B	32	42
COC(=O)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427815	GF	On-Demand	Anodyne	ACR	26	40
COC(=O)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852427815	GF	On-Demand	Anodyne	TAAR1	29	40
C#CCN(CCC(=O)Nc1ccc2c(c1)OCO2)CC(=O)OC(C)(C)C	ZINC000852427824	FE	On-Demand	Mild	DYRK2	44	31
C#CCN(CCC(=O)Nc1cccc(OC)c1)CC(=O)OC(C)(C)C	ZINC000852427839	EE	On-Demand	Mild	MTNR1A	22	45
C#CCN(CCC(=O)Nc1cccc(OC)c1)CC(=O)OC(C)(C)C	ZINC000852427839	EE	On-Demand	Mild	MTNR1B	28	48
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852427844	FD	On-Demand	Mild	KCNK3	54	32
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1	ZINC000852427845	FD	On-Demand	Mild	KCNK3	54	32
C#CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)OC(C)(C)C	ZINC000852427854	GD	On-Demand	Mild	MTOR	45	40
C#CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)OC(C)(C)C	ZINC000852427854	GD	On-Demand	Mild	STAT6	51	31
C#CCN(CC(=O)NCc1ccc2c(c1)OCO2)CC(=O)OC(C)(C)C	ZINC000852427906	FD	On-Demand	Mild	NOS2	84	35
C#CCN(CC(=O)Nc1ccc(C)cc1Br)CC(=O)OC(C)(C)C	ZINC000852427919	GF	On-Demand	Mild	CA4	15	40
Cn1cc([C@@H]2CCCN2C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cn1	ZINC000852428014	GH	On-Demand	Anodyne	PANC	41	32
COC(=O)[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852428015	GG	On-Demand	Anodyne	DRD4	40	31
COC(=O)[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852428015	GG	On-Demand	Anodyne	GRIN2B	23	43
COC(=O)[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852428015	GG	On-Demand	Anodyne	GPR119	47	43
COC(=O)[C@H](NCC1CCS(=O)(=O)CC1)c1cccc(OC)c1	ZINC000852428030	ED	On-Demand	Anodyne	MTNR1A	33	40
COC(=O)[C@H](NCC1CCS(=O)(=O)CC1)c1cccc(OC)c1	ZINC000852428030	ED	On-Demand	Anodyne	MTNR1B	35	40
COC(=O)[C@H](NCCc1cccs1)c1cccc(OC)c1	ZINC000852428049	DF	On-Demand	Anodyne	BMP1	22	41
COC(=O)[C@H](NCCc1cccs1)c1cccc(OC)c1	ZINC000852428049	DF	On-Demand	Anodyne	MTNR1A	47	39
COC(=O)[C@H](NCCc1cccs1)c1cccc(OC)c1	ZINC000852428049	DF	On-Demand	Anodyne	MTNR1B	44	39
CC[C@H](O)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428053	CD	On-Demand	Anodyne	ADRB2	18	45
CC[C@H](O)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428053	CD	On-Demand	Anodyne	MTNR1A	38	41
CC[C@H](O)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428053	CD	On-Demand	Anodyne	MTNR1B	37	41
CC[C@H](O)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428057	CD	On-Demand	Anodyne	ADRB2	18	45
CC[C@H](O)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428057	CD	On-Demand	Anodyne	MTNR1A	38	41
CC[C@H](O)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428057	CD	On-Demand	Anodyne	MTNR1B	37	41
CN(CCOc1ccccc1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428110	GI	On-Demand	Anodyne	PDS	66	39
COC(=O)[C@H](NCc1ccc(Cl)nc1Cl)c1cccc(OC)c1	ZINC000852428137	FG	On-Demand	Anodyne	PDS	45	37
C#CCN(CC(=O)NNC(=O)c1ccc(C#N)cc1)CC(=O)OC(C)(C)C	ZINC000852428153	FC	On-Demand	Reactive	CTRB_BOVIN	47	35
COC(=O)[C@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428155	DC	On-Demand	Anodyne	DRD4	44	34
COC(=O)[C@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428155	DC	On-Demand	Anodyne	OPRK1	19	46
COC(=O)[C@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428155	DC	On-Demand	Anodyne	MTNR1A	29	40
COC(=O)[C@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428155	DC	On-Demand	Anodyne	MTNR1B	36	40
COC(=O)[C@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428155	DC	On-Demand	Anodyne	ABCB1	37	43
COC(=O)[C@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428157	DC	On-Demand	Anodyne	DRD4	44	34
COC(=O)[C@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428157	DC	On-Demand	Anodyne	OPRK1	19	46
COC(=O)[C@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428157	DC	On-Demand	Anodyne	MTNR1A	29	40
COC(=O)[C@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428157	DC	On-Demand	Anodyne	MTNR1B	36	40
COC(=O)[C@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852428157	DC	On-Demand	Anodyne	ABCB1	37	43
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	CA2	60	53
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	CA1	54	49
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	CA7	23	49
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	CA4	45	44
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	CA14	30	53
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	CA12	42	46
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	CA9	42	48
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	CYNT	35	40
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	MTCA1	44	37
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428172	GC	On-Demand	Mild	P96878_MYCTU	56	40
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	CA2	60	53
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	CA1	54	49
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	CA7	23	49
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	CA4	45	44
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	CA14	30	53
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	CA12	42	46
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	CA9	42	48
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	CYNT	35	40
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	MTCA1	44	37
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852428174	GC	On-Demand	Mild	P96878_MYCTU	56	40
C#CCCN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428185	BD	On-Demand	Mild	DRD4	40	31
C#CCCN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428185	BD	On-Demand	Mild	MTNR1A	46	41
C#CCCN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428185	BD	On-Demand	Mild	MTNR1B	47	42
C#CCCN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428187	BD	On-Demand	Mild	DRD4	40	31
C#CCCN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428187	BD	On-Demand	Mild	MTNR1A	46	41
C#CCCN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428187	BD	On-Demand	Mild	MTNR1B	47	42
C#CCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428198	GD	On-Demand	Mild	CA2	16	43
C#CCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428198	GD	On-Demand	Mild	CA4	21	43
C#CCN(CC(=O)Nc1cccnc1Cl)CC(=O)OC(C)(C)C	ZINC000852428213	ED	On-Demand	Mild	G2YM83_BOTF4	57	33
COC(=O)[C@H](NC[C@@H](O)COc1c(C)cccc1C)c1cccc(OC)c1	ZINC000852428214	FF	On-Demand	Anodyne	ADRB2	30	48
COC(=O)[C@H](NC[C@@H](O)COc1c(C)cccc1C)c1cccc(OC)c1	ZINC000852428214	FF	On-Demand	Anodyne	ADRB1	25	43
COC(=O)[C@H](NC[C@@H](O)COc1c(C)cccc1C)c1cccc(OC)c1	ZINC000852428214	FF	On-Demand	Anodyne	ADRB3	15	41
COC(=O)[C@H](NC[C@H](O)COc1c(C)cccc1C)c1cccc(OC)c1	ZINC000852428219	FF	On-Demand	Anodyne	ADRB2	30	48
COC(=O)[C@H](NC[C@H](O)COc1c(C)cccc1C)c1cccc(OC)c1	ZINC000852428219	FF	On-Demand	Anodyne	ADRB1	25	43
COC(=O)[C@H](NC[C@H](O)COc1c(C)cccc1C)c1cccc(OC)c1	ZINC000852428219	FF	On-Demand	Anodyne	ADRB3	15	41
C#CCN(CC(=O)NNC(=O)c1ccccc1Cl)CC(=O)OC(C)(C)C	ZINC000852428231	GD	On-Demand	Reactive	ECR	48	40
COC(=O)[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852428239	GF	On-Demand	Anodyne	MAOA	62	51
COC(=O)[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852428239	GF	On-Demand	Anodyne	ACHE	19	47
COC(=O)[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852428239	GF	On-Demand	Anodyne	MAOB	57	51
COC(=O)[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852428239	GF	On-Demand	Anodyne	MTNR1A	40	40
COC(=O)[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852428239	GF	On-Demand	Anodyne	MTNR1B	37	40
C#CCN(CC(=O)NNC(=O)c1cccc(C)c1)CC(=O)OC(C)(C)C	ZINC000852428242	FD	On-Demand	Reactive	KCNK3	54	37
C#CCN(CC(=O)NNC(=O)c1cccc(C)c1)CC(=O)OC(C)(C)C	ZINC000852428242	FD	On-Demand	Reactive	KCNK9	43	37
COC(=O)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852428260	FE	On-Demand	Bother	CACNA1C	56	38
COC(=O)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852428260	FE	On-Demand	Bother	CACNA1D	85	38
COC(=O)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852428263	FE	On-Demand	Bother	CACNA1C	56	38
COC(=O)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852428263	FE	On-Demand	Bother	CACNA1D	85	38
C#CCN(CC(=O)OC(C)(C)C)Cc1cccc(OC)c1	ZINC000852428268	CE	On-Demand	Mild	ROCK2	41	38
C#CCN(CC(=O)OC(C)(C)C)Cc1cccc(OC)c1	ZINC000852428268	CE	On-Demand	Mild	SQLE	69	34
C#CCN(CC(=O)OC(C)(C)C)Cc1cccc(OC)c1	ZINC000852428268	CE	On-Demand	Mild	HSD17B2	17	42
COC(=O)[C@H](NCc1ccc(OCC#N)cc1)c1cccc(OC)c1	ZINC000852428270	EF	On-Demand	Mild	FFAR1	18	40
C#CCN(CC(=O)Nc1c(C)cccc1Cl)CC(=O)OC(C)(C)C	ZINC000852428278	FF	On-Demand	Mild	LCK	29	41
C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)CC(=O)OC(C)(C)C	ZINC000852428280	GC	On-Demand	Mild	CA2	45	44
C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)CC(=O)OC(C)(C)C	ZINC000852428280	GC	On-Demand	Mild	CA1	42	44
C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)CC(=O)OC(C)(C)C	ZINC000852428280	GC	On-Demand	Mild	CA4	62	44
COC(=O)[C@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852428289	DD	On-Demand	Anodyne	DRD4	45	35
COC(=O)[C@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852428289	DD	On-Demand	Anodyne	MTNR1A	41	38
COC(=O)[C@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852428289	DD	On-Demand	Anodyne	MTNR1B	52	38
COC(=O)[C@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852428289	DD	On-Demand	Anodyne	DPP7	36	46
C#CCN(CCCn1ccnc1)CC(=O)OC(C)(C)C	ZINC000852428292	CD	On-Demand	Mild	TBXAS1	32	43
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	CA2	70	49
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	CA1	64	49
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	CA7	44	42
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	CA4	54	49
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	CA14	33	42
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	CA12	39	42
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	CA9	47	42
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	CYNT	40	40
C#CCN(CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428299	FD	On-Demand	Mild	NCE103	16	40
C#CCN(CC(=O)OC(C)(C)C)CC(=O)N(C)Cc1ccccc1	ZINC000852428330	ED	On-Demand	Mild	CTSB	18	57
C#CCN(CC(=O)NOCc1ccccc1)CC(=O)OC(C)(C)C	ZINC000852428331	ED	On-Demand	Mild	CTSB	35	40
CN(C)S(=O)(=O)c1cccc(CONC(=N)CC(=O)Nc2ccccc2Cl)c1	ZINC000852428332	HF	On-Demand	Anodyne	CA5B	20	40
CN(C)S(=O)(=O)c1cccc(CONC(=N)CC(=O)Nc2ccccc2Cl)c1	ZINC000852428332	HF	On-Demand	Anodyne	CA5A	23	40
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852428333	FE	On-Demand	Mild	MMP8	15	44
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852428334	FE	On-Demand	Mild	MMP8	15	44
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852428335	GF	On-Demand	Mild	VIPR1	27	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852428336	GF	On-Demand	Mild	VIPR1	27	41
C#CCN(CC(=O)Nc1ccccc1C(=O)OC)CC(=O)OC(C)(C)C	ZINC000852428353	FD	On-Demand	Mild	FAS	31	45
CN(C[C@@](C)(O)c1ccccc1)C(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852428356	GE	On-Demand	Anodyne	CACNA1I	55	36
CN(C[C@@](C)(O)c1ccccc1)C(=O)NCC1CCN(C2CCOCC2)CC1	ZINC000852428356	GE	On-Demand	Anodyne	CYP2J2	44	32
C#CCN(CC(=O)Nc1ccc(OC)c(OC)c1)CC(=O)OC(C)(C)C	ZINC000852428362	FD	On-Demand	Mild	ENPP1	81	38
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852428366	GC	On-Demand	Mild	CA2	19	48
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852428366	GC	On-Demand	Mild	CA4	18	48
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852428367	GC	On-Demand	Mild	CA2	19	48
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852428367	GC	On-Demand	Mild	CA4	18	48
C#CCN(CC(=O)Nc1ccc(F)cc1Cl)CC(=O)OC(C)(C)C	ZINC000852428370	FF	On-Demand	Mild	CA4	15	40
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852428377	FE	On-Demand	Mild	COLA	119	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852428378	FE	On-Demand	Mild	COLA	119	41
C#CCN(CC(=O)Nc1nccs1)CC(=O)OC(C)(C)C	ZINC000852428382	DD	On-Demand	Mild	MAP1	118	39
COC(=O)[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852428390	GD	On-Demand	Clean	MTNR1A	36	41
COC(=O)[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852428390	GD	On-Demand	Clean	MTNR1B	34	41
Cc1ccccc1[C@@H](O)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428424	GH	On-Demand	Anodyne	CCKAR	17	41
Cc1ccccc1[C@@H](O)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428424	GH	On-Demand	Anodyne	PDS	41	33
Cc1ccccc1[C@H](O)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428425	GH	On-Demand	Anodyne	CCKAR	17	41
Cc1ccccc1[C@H](O)CNC(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428425	GH	On-Demand	Anodyne	PDS	41	33
CC[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428431	EI	On-Demand	Anodyne	CMA1	35	40
CC[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428431	EI	On-Demand	Anodyne	CCKAR	15	41
CC[C@@H]1CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428432	EI	On-Demand	Anodyne	CMA1	35	40
CC[C@@H]1CCCN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428432	EI	On-Demand	Anodyne	CCKAR	15	41
COC(=O)/C(C)=C/CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428446	DD	On-Demand	Anodyne	MTNR1A	38	42
COC(=O)/C(C)=C/CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428446	DD	On-Demand	Anodyne	MTNR1B	43	42
COC(=O)/C(C)=C\CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428447	DD	On-Demand	Anodyne	MTNR1A	38	42
COC(=O)/C(C)=C\CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428447	DD	On-Demand	Anodyne	MTNR1B	43	42
COC(=O)/C(C)=C\CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428448	DD	On-Demand	Anodyne	MTNR1A	38	42
COC(=O)/C(C)=C\CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428448	DD	On-Demand	Anodyne	MTNR1B	43	42
COC(=O)/C(C)=C/CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428450	DD	On-Demand	Anodyne	MTNR1A	38	42
COC(=O)/C(C)=C/CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428450	DD	On-Demand	Anodyne	MTNR1B	43	42
COC(=O)[C@H](NCC=C(Cl)Cl)c1cccc(OC)c1	ZINC000852428463	DF	On-Demand	Anodyne	MTNR1A	37	41
COC(=O)[C@H](NCC=C(Cl)Cl)c1cccc(OC)c1	ZINC000852428463	DF	On-Demand	Anodyne	MTNR1B	40	41
C#CCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852428470	GC	On-Demand	Mild	CA2	34	58
C#CCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852428470	GC	On-Demand	Mild	CA1	28	58
C#CCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852428470	GC	On-Demand	Mild	CA4	44	51
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852428471	GF	On-Demand	Mild	KCNQ2	16	44
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852428473	GF	On-Demand	Mild	KCNQ2	16	44
COC(=O)[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852428479	GD	On-Demand	Reactive	DRD4	43	36
COC(=O)[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852428479	GD	On-Demand	Reactive	CTSL	18	41
COC(=O)[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852428479	GD	On-Demand	Reactive	KCNK3	61	51
COC(=O)[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852428479	GD	On-Demand	Reactive	KCNK9	45	39
COC(=O)[C@H](NCCSC(C)(C)C)c1cccc(OC)c1	ZINC000852428484	DG	On-Demand	Anodyne	MTNR1A	38	45
COC(=O)[C@H](NCCSC(C)(C)C)c1cccc(OC)c1	ZINC000852428484	DG	On-Demand	Anodyne	MTNR1B	40	45
COC(=O)[C@H](NCC(F)(F)C(F)F)c1cccc(OC)c1	ZINC000852428494	DE	On-Demand	Anodyne	DRD4	41	31
COC(=O)[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852428497	FC	On-Demand	Anodyne	MTNR1A	25	41
COC(=O)[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852428497	FC	On-Demand	Anodyne	MTNR1B	32	41
COC(=O)[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852428497	FC	On-Demand	Anodyne	KIF11	18	42
COC(=O)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852428500	FC	On-Demand	Anodyne	MTNR1A	25	41
COC(=O)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852428500	FC	On-Demand	Anodyne	MTNR1B	32	41
COC(=O)[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852428500	FC	On-Demand	Anodyne	KIF11	18	42
COc1ccc(CN(C)C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1	ZINC000852428509	GI	On-Demand	Anodyne	ROCK1	20	41
COc1ccc(CN(C)C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1	ZINC000852428509	GI	On-Demand	Anodyne	ROCK2	33	41
COc1ccc(CN(C)C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)cc1	ZINC000852428509	GI	On-Demand	Anodyne	HSD17B2	15	42
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852428522	GF	On-Demand	Mild	COLA	112	41
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852428523	GF	On-Demand	Mild	COLA	112	41
C#CCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(=O)OC(C)(C)C	ZINC000852428524	GD	On-Demand	Mild	KCNK3	41	33
C#CCN(CC(=O)NCCc1cccc2cccnc12)CC(=O)OC(C)(C)C	ZINC000852428528	GE	On-Demand	Mild	NQO2	22	41
C#CCN(CC(=O)Nc1cccc(C(=O)NCC)c1)CC(=O)OC(C)(C)C	ZINC000852428530	FD	On-Demand	Mild	KCNK3	69	33
C#CCN(CC(=O)Nc1cccc(C(=O)NCC)c1)CC(=O)OC(C)(C)C	ZINC000852428530	FD	On-Demand	Mild	KCNK9	43	33
C#CCN(CC[C@@H]1CCCN1C)CC(=O)OC(C)(C)C	ZINC000852428536	CD	On-Demand	Mild	ACKR3	66	33
C#CCN(CC[C@H]1CCCN1C)CC(=O)OC(C)(C)C	ZINC000852428537	CD	On-Demand	Mild	ACKR3	66	33
C#CCN(CC(=O)Nc1ccc(N2CCCCC2)nc1)CC(=O)OC(C)(C)C	ZINC000852428539	GE	On-Demand	Mild	DGAT1	34	40
C#CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C	ZINC000852428553	FE	On-Demand	Mild	MMP8	16	44
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1nccs1	ZINC000852428568	DD	On-Demand	Mild	MAP1	115	42
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1nccs1	ZINC000852428569	DD	On-Demand	Mild	MAP1	115	42
O=C(NCC1CCN(C2CCOCC2)CC1)N1Cc2cccc(Cl)c2C1	ZINC000852428572	GG	On-Demand	Anodyne	CACNA1I	55	37
O=C(NCC1CCN(C2CCOCC2)CC1)N1Cc2cccc(Cl)c2C1	ZINC000852428572	GG	On-Demand	Anodyne	L3MBTL3	41	33
C#CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)CC(=O)OC(C)(C)C	ZINC000852428590	FD	On-Demand	Mild	ACR	45	34
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA2	102	56
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA1	95	54
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA7	38	52
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA5B	42	43
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA4	97	56
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA5A	48	43
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA14	35	52
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA12	58	54
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CA9	60	54
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	CYNT	38	43
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	MTCA1	47	40
C#CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852428601	GC	On-Demand	Mild	P96878_MYCTU	59	40
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852428606	FD	On-Demand	Mild	ANPEP	20	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852428606	FD	On-Demand	Mild	FPR1	45	37
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852428607	FD	On-Demand	Mild	ANPEP	20	41
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852428607	FD	On-Demand	Mild	FPR1	45	37
CCc1nc(CNC(=O)NCC2CCN(C3CCOCC3)CC2)co1	ZINC000852428608	FD	On-Demand	Anodyne	CACNA1I	40	31
C#CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)OC(C)(C)C	ZINC000852428624	GF	On-Demand	Mild	VIPR1	32	49
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCc2cc(Cl)nnc2C1	ZINC000852428647	GE	On-Demand	Anodyne	CACNA1I	41	34
C#CCN(CCn1ccnc1)CC(=O)OC(C)(C)C	ZINC000852428649	CD	On-Demand	Mild	TBXAS1	25	41
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852428658	GE	On-Demand	Mild	COLA	18	43
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852428658	GE	On-Demand	Mild	KCNMA1	19	43
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852428659	GE	On-Demand	Mild	COLA	18	43
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852428659	GE	On-Demand	Mild	KCNMA1	19	43
O=C(NCC1CCN(C2CCOCC2)CC1)N1CCCCCCCC1	ZINC000852428666	FG	On-Demand	Anodyne	L3MBTL3	42	35
C#CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)CC(=O)OC(C)(C)C	ZINC000852428682	FF	On-Demand	Mild	ENPP1	66	32
COC(=O)[C@H](NCC1CCC2(CC1)OCCO2)c1cccc(OC)c1	ZINC000852428688	EE	On-Demand	Anodyne	C5AR1	23	44
COC(=O)[C@H](NCCn1cc(Br)cn1)c1cccc(OC)c1	ZINC000852428700	FE	On-Demand	Anodyne	DRD4	44	33
COC(=O)[C@H](NCCn1cc(Br)cn1)c1cccc(OC)c1	ZINC000852428700	FE	On-Demand	Anodyne	MTNR1A	34	40
COC(=O)[C@H](NCCn1cc(Br)cn1)c1cccc(OC)c1	ZINC000852428700	FE	On-Demand	Anodyne	MTNR1B	30	40
COC(=O)[C@H](NCCC(=O)N(C)OC)c1cccc(OC)c1	ZINC000852428704	DC	On-Demand	Anodyne	DRD4	40	30
C#CCN(CC(=O)OC(C)(C)C)Cc1cc(=O)oc2cc(O)ccc12	ZINC000852428728	EE	On-Demand	Mild	HSD17B3	34	50
COC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852428731	EF	On-Demand	Clean	MTNR1A	31	41
COC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852428731	EF	On-Demand	Clean	MTNR1B	32	41
COC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852428731	EF	On-Demand	Clean	AOC3	16	45
COC(=O)[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852428754	EE	On-Demand	Anodyne	MTNR1A	36	44
COC(=O)[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852428754	EE	On-Demand	Anodyne	MTNR1B	42	44
COC(=O)[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852428754	EE	On-Demand	Anodyne	CAPN1	44	38
COC(=O)[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852428754	EE	On-Demand	Anodyne	CAPN2	56	39
COC(=O)[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852428754	EE	On-Demand	Anodyne	AKR1C3	15	40
COC(=O)[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852428754	EE	On-Demand	Anodyne	PDS	42	39
COC(=O)[C@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(OC)c1	ZINC000852428766	GG	On-Demand	Anodyne	MTNR1A	22	40
COC(=O)[C@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(OC)c1	ZINC000852428766	GG	On-Demand	Anodyne	MTNR1B	25	40
COC(=O)[C@H](NCCN1CCc2ccccc21)c1cccc(OC)c1	ZINC000852428771	EF	On-Demand	Anodyne	DRD4	49	40
COC(=O)[C@H](NCCN1CCc2ccccc21)c1cccc(OC)c1	ZINC000852428771	EF	On-Demand	Anodyne	DRD3	21	40
COC(=O)[C@H](NCCN1CCc2ccccc21)c1cccc(OC)c1	ZINC000852428771	EF	On-Demand	Anodyne	MTNR1B	40	39
COC(=O)[C@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852428777	GG	On-Demand	Anodyne	GPR119	36	43
COC(=O)[C@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852428778	GG	On-Demand	Anodyne	GPR119	36	43
COC(=O)[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852428785	EE	On-Demand	Mild	ADRB3	22	41
COC(=O)[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852428785	EE	On-Demand	Mild	AOC3	15	51
COC(=O)[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852428787	EE	On-Demand	Mild	ADRB3	22	41
COC(=O)[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852428787	EE	On-Demand	Mild	AOC3	15	51
COC(=O)[C@H](NCC(=O)NCc1ccccn1)c1cccc(OC)c1	ZINC000852428802	ED	On-Demand	Anodyne	MTNR1A	35	40
COC(=O)[C@H](NCC(=O)NCc1ccccn1)c1cccc(OC)c1	ZINC000852428802	ED	On-Demand	Anodyne	MTNR1B	35	41
C#CCCCN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428803	CD	On-Demand	Mild	MTNR1A	40	40
C#CCCCN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428803	CD	On-Demand	Mild	MTNR1B	41	40
C#CCCCN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428804	CD	On-Demand	Mild	MTNR1A	40	40
C#CCCCN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852428804	CD	On-Demand	Mild	MTNR1B	41	40
C#CCN(CC(=O)Nc1ccc(Cl)cn1)CC(=O)OC(C)(C)C	ZINC000852428813	ED	On-Demand	Mild	F10	40	38
O=C(NCC1CCN(C2CCOCC2)CC1)NNc1cccc(F)n1	ZINC000852428830	FD	On-Demand	Reactive	CACNA1I	41	33
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852428834	GE	On-Demand	Mild	ENPP1	69	33
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852428835	GE	On-Demand	Mild	ENPP1	69	33
C#CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)OC(C)(C)C	ZINC000852428877	GD	On-Demand	Mild	KCNMA1	21	46
O=C(NCC1CCN(C2CCOCC2)CC1)NNc1cccc(Cl)n1	ZINC000852428882	FE	On-Demand	Reactive	CACNA1I	51	36
C#CCN(CC(=O)OC(C)(C)C)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852428899	FF	On-Demand	Mild	KDM1A	15	44
O=C(NCC1CCN(C2CCOCC2)CC1)NNc1ncccc1F	ZINC000852428906	FD	On-Demand	Reactive	GRIN2B	19	43
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852428911	FE	On-Demand	Mild	COLA	30	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852428912	FE	On-Demand	Mild	COLA	30	41
O=C(NCC1CCN(C2CCOCC2)CC1)N1CC[C@@H](c2ccccn2)C1	ZINC000852428921	FE	On-Demand	Anodyne	SMO	30	44
O=C(NCC1CCN(C2CCOCC2)CC1)N1CC[C@@H](c2ccccn2)C1	ZINC000852428921	FE	On-Demand	Anodyne	L3MBTL3	48	34
O=C(NCC1CCN(C2CCOCC2)CC1)N1CC[C@H](c2ccccn2)C1	ZINC000852428922	FE	On-Demand	Anodyne	SMO	30	44
O=C(NCC1CCN(C2CCOCC2)CC1)N1CC[C@H](c2ccccn2)C1	ZINC000852428922	FE	On-Demand	Anodyne	L3MBTL3	48	34
C[C@H]1C[C@@H](C)CN1C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852428991	EH	On-Demand	Anodyne	CCKAR	19	44
C[C@H]1C[C@@H](C)N(C(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1	ZINC000852428992	EH	On-Demand	Anodyne	CCKAR	19	44
Cn1cc([C@@H]2CCN(C(=O)NCc3cccc(NC(=O)OC(C)(C)C)c3)C2)cn1	ZINC000852429014	GG	On-Demand	Anodyne	PANC	41	32
COC(=O)[C@H](NCC[C@@H]1CCOC1=O)c1cccc(OC)c1	ZINC000852429018	DD	On-Demand	Anodyne	TRAR	40	32
COC(=O)[C@H](NCC[C@H]1CCOC1=O)c1cccc(OC)c1	ZINC000852429021	DD	On-Demand	Anodyne	TRAR	40	32
COC(=O)[C@H](NCC(F)(F)Br)c1cccc(OC)c1	ZINC000852429025	EE	On-Demand	Anodyne	MTNR1A	36	40
COC(=O)[C@H](NCC(F)(F)Br)c1cccc(OC)c1	ZINC000852429025	EE	On-Demand	Anodyne	MTNR1B	37	40
COC(=O)[C@H](NCCC1OCCO1)c1cccc(OC)c1	ZINC000852429029	CD	On-Demand	Anodyne	DRD4	40	30
COC(=O)[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852429031	GD	On-Demand	Anodyne	ADRB3	51	47
COC(=O)[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852429031	GD	On-Demand	Anodyne	AOC3	15	51
COC(=O)[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852429033	GD	On-Demand	Anodyne	ADRB3	51	47
COC(=O)[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852429033	GD	On-Demand	Anodyne	AOC3	15	51
COC(=O)[C@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852429035	GF	On-Demand	Anodyne	F2	15	42
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852429037	FF	On-Demand	Anodyne	DRD2	19	43
COCCN(CCF)C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852429037	FF	On-Demand	Anodyne	CACNA1I	54	34
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852429038	FF	On-Demand	Anodyne	DRD2	19	43
COCCN(CCF)C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852429038	FF	On-Demand	Anodyne	CACNA1I	54	34
COC(=O)[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852429039	GF	On-Demand	Anodyne	F2	15	42
C#CCN(CC(=O)Nc1cccc(C)c1)CC(=O)OC(C)(C)C	ZINC000852429081	DE	On-Demand	Mild	KCNK3	55	37
C#CCN(CC(=O)Nc1cccc(C)c1)CC(=O)OC(C)(C)C	ZINC000852429081	DE	On-Demand	Mild	KCNK9	47	37
COC(=O)[C@H](NCCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852429087	GF	On-Demand	Anodyne	MTNR1A	32	53
COC(=O)[C@H](NCCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852429087	GF	On-Demand	Anodyne	MTNR1B	34	53
COC(=O)[C@H](NCCS(=O)(=O)C(C)C)c1cccc(OC)c1	ZINC000852429148	ED	On-Demand	Anodyne	MTNR1A	37	40
COC(=O)[C@H](NCCS(=O)(=O)C(C)C)c1cccc(OC)c1	ZINC000852429148	ED	On-Demand	Anodyne	MTNR1B	39	40
COC(=O)[C@H](NCCN1CCOC1=O)c1cccc(OC)c1	ZINC000852429151	DC	On-Demand	Anodyne	DRD4	44	33
COC(=O)[C@H](NCc1cnc[nH]1)c1cccc(OC)c1	ZINC000852429178	CD	On-Demand	Anodyne	TAAR1	19	47
COC(=O)[C@H](NC[C@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429182	GG	On-Demand	Anodyne	ADRB2	47	57
COC(=O)[C@H](NC[C@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429182	GG	On-Demand	Anodyne	ADRB1	49	40
COC(=O)[C@H](NC[C@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429182	GG	On-Demand	Anodyne	ADRB3	35	57
COC(=O)[C@H](NC[C@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429182	GG	On-Demand	Anodyne	MTNR1A	29	42
COC(=O)[C@H](NC[C@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429182	GG	On-Demand	Anodyne	MTNR1B	29	42
COC(=O)[C@H](NC[C@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429182	GG	On-Demand	Anodyne	CYP2D6	19	41
COC(=O)[C@H](NC[C@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429182	GG	On-Demand	Anodyne	ABCB1	35	44
COC(=O)[C@H](NC[C@@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429183	GG	On-Demand	Anodyne	ADRB2	47	57
COC(=O)[C@H](NC[C@@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429183	GG	On-Demand	Anodyne	ADRB1	49	40
COC(=O)[C@H](NC[C@@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429183	GG	On-Demand	Anodyne	ADRB3	35	57
COC(=O)[C@H](NC[C@@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429183	GG	On-Demand	Anodyne	MTNR1A	29	42
COC(=O)[C@H](NC[C@@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429183	GG	On-Demand	Anodyne	MTNR1B	29	42
COC(=O)[C@H](NC[C@@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429183	GG	On-Demand	Anodyne	CYP2D6	19	41
COC(=O)[C@H](NC[C@@H](O)COc1cccc2ccccc12)c1cccc(OC)c1	ZINC000852429183	GG	On-Demand	Anodyne	ABCB1	35	44
COC(=O)[C@H](NCC1(Br)CC1)c1cccc(OC)c1	ZINC000852429184	EE	On-Demand	Anodyne	DRD4	41	31
COC(=O)[C@H](NCC(=O)N(C)OC)c1cccc(OC)c1	ZINC000852429263	CC	On-Demand	Anodyne	MTNR1A	31	42
COC(=O)[C@H](NCC(=O)N(C)OC)c1cccc(OC)c1	ZINC000852429263	CC	On-Demand	Anodyne	MTNR1B	31	42
COC(=O)[C@H](NCC(=O)N(C)OC)c1cccc(OC)c1	ZINC000852429263	CC	On-Demand	Anodyne	AOC3	15	46
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccccc1F	ZINC000852429280	EE	On-Demand	Mild	PAPA1_CARPA	16	42
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccccc1F	ZINC000852429282	EE	On-Demand	Mild	PAPA1_CARPA	16	42
C#CCN(CCC(=O)N1CCN(c2ccccn2)CC1)CC(=O)OC(C)(C)C	ZINC000852429284	GD	On-Demand	Mild	SSTR1	48	36
COC(=O)[C@H](NCC(=O)OCC(C)C)c1cccc(OC)c1	ZINC000852429295	DD	On-Demand	Anodyne	MTNR1A	31	42
COC(=O)[C@H](NCC(=O)OCC(C)C)c1cccc(OC)c1	ZINC000852429295	DD	On-Demand	Anodyne	MTNR1B	32	42
CN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1	ZINC000852429297	GI	On-Demand	Mild	CTSB	18	42
COC(=O)[C@H](NC/C=C\Cl)c1cccc(OC)c1	ZINC000852429307	CE	On-Demand	Anodyne	DRD4	40	30
COC(=O)[C@H](NC/C=C\Cl)c1cccc(OC)c1	ZINC000852429307	CE	On-Demand	Anodyne	MTNR1A	40	40
COC(=O)[C@H](NC/C=C\Cl)c1cccc(OC)c1	ZINC000852429307	CE	On-Demand	Anodyne	MTNR1B	43	40
COC(=O)[C@H](NC/C=C/Cl)c1cccc(OC)c1	ZINC000852429311	CE	On-Demand	Anodyne	DRD4	40	30
COC(=O)[C@H](NC/C=C/Cl)c1cccc(OC)c1	ZINC000852429311	CE	On-Demand	Anodyne	MTNR1A	40	40
COC(=O)[C@H](NC/C=C/Cl)c1cccc(OC)c1	ZINC000852429311	CE	On-Demand	Anodyne	MTNR1B	43	40
C=C(Cl)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852429320	CE	On-Demand	Mild	MTNR1A	33	40
C=C(Cl)CN[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852429320	CE	On-Demand	Mild	MTNR1B	34	40
C#CCN(CC(=O)OC(C)(C)C)Cc1nc(-c2ccsc2)oc1C	ZINC000852429321	EG	On-Demand	Mild	PPARG	22	41
C#CCN(CC(=O)OC(C)(C)C)Cc1nc(-c2ccsc2)oc1C	ZINC000852429321	EG	On-Demand	Mild	PPARA	30	41
C=C(Cl)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852429322	CE	On-Demand	Mild	MTNR1A	33	40
C=C(Cl)CN[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852429322	CE	On-Demand	Mild	MTNR1B	34	40
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)c1cccnc1	ZINC000852429338	CE	On-Demand	Mild	KCNA5	22	42
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)c1cccnc1	ZINC000852429339	CE	On-Demand	Mild	KCNA5	22	42
O=C(NCC1CCN(C2CCOCC2)CC1)NNc1ccc(Cl)cn1	ZINC000852429345	FE	On-Demand	Reactive	CACNA1I	58	36
C#CCN(CC(=O)N[C@H]1CCOc2ccccc21)CC(=O)OC(C)(C)C	ZINC000852429354	FD	On-Demand	Mild	LUXR	54	34
C#CCN(CC(=O)N[C@H]1CCOc2ccccc21)CC(=O)OC(C)(C)C	ZINC000852429354	FD	On-Demand	Mild	TRAR	72	34
C#CCN(CC(=O)N[C@@H]1CCOc2ccccc21)CC(=O)OC(C)(C)C	ZINC000852429355	FD	On-Demand	Mild	LUXR	54	34
C#CCN(CC(=O)N[C@@H]1CCOc2ccccc21)CC(=O)OC(C)(C)C	ZINC000852429355	FD	On-Demand	Mild	TRAR	72	34
C#CCN(CC(=O)OC(C)(C)C)Cc1cccnc1	ZINC000852429358	CD	On-Demand	Mild	NR1D1	46	36
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	SSTR2	67	38
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	EDNRB	18	43
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	EDNRA	25	46
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	TACR1	19	49
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	CCKAR	100	44
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	CTSL	22	42
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	BRS3	26	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	NMBR	44	46
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	GRPR	49	31
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	CCKBR	68	47
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	GHSR	40	37
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	MMP9	16	45
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429361	GE	On-Demand	Mild	KISS1R	63	33
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	SSTR2	67	38
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	EDNRB	18	43
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	EDNRA	25	46
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	TACR1	19	49
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	CCKAR	100	44
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	CTSL	22	42
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	BRS3	26	41
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	NMBR	44	46
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	GRPR	49	31
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	CCKBR	68	47
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	GHSR	40	37
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	MMP9	16	45
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852429362	GE	On-Demand	Mild	KISS1R	63	33
C#CCN(CC(=O)OC(C)(C)C)C[C@H](O)COc1cccc2[nH]ccc12	ZINC000852429363	FE	On-Demand	Mild	ADRB1	15	50
C#CCN(CC(=O)OC(C)(C)C)C[C@@H](O)COc1cccc2[nH]ccc12	ZINC000852429364	FE	On-Demand	Mild	ADRB1	15	50
C#CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)OC(C)(C)C	ZINC000852429370	ED	On-Demand	Mild	MTNR1A	25	45
C#CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)OC(C)(C)C	ZINC000852429370	ED	On-Demand	Mild	MTNR1B	30	47
C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000852429375	GD	On-Demand	Mild	PREP	15	42
COC(=O)N(C)CCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852429413	FE	On-Demand	Anodyne	CACNA1I	41	33
COC(=O)N(C)CCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852429414	FE	On-Demand	Anodyne	CACNA1I	41	33
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852429419	DF	On-Demand	Mild	COLA	90	36
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852429420	DF	On-Demand	Mild	COLA	90	36
C#CCN(CC(=O)NCc1ccccc1)CC(=O)OC(C)(C)C	ZINC000852429492	DD	On-Demand	Mild	PDS	41	33
C#CCN(CC(=O)NCc1cccnc1)CC(=O)OC(C)(C)C	ZINC000852429526	DC	On-Demand	Mild	NAMPT	60	43
C#CCN(CC(=O)OC(C)(C)C)Cc1cnc2ccnn2c1	ZINC000852429528	DD	On-Demand	Mild	DDR1	51	34
C#CCN(CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1C	ZINC000852429551	DF	On-Demand	Mild	COLA	100	36
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(-n2cccn2)cc1	ZINC000852429644	EF	On-Demand	Mild	AMP1_PLAFQ	44	42
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1	ZINC000852429649	DE	On-Demand	Mild	MMP2	16	44
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1	ZINC000852429649	DE	On-Demand	Mild	MMP8	34	44
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1	ZINC000852429649	DE	On-Demand	Mild	MMP9	18	44
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1	ZINC000852429649	DE	On-Demand	Mild	MMP1	25	44
C#CCN(CC(=O)Nc1cc(Cl)ccc1OC)CC(=O)OC(C)(C)C	ZINC000852429687	FF	On-Demand	Mild	RBP4	17	42
C#CCN(CC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2OC)C1=O	ZINC000852429697	FE	On-Demand	Mild	HTR1A	56	39
C#CCN(CC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2OC)C1=O	ZINC000852429697	FE	On-Demand	Mild	DRD2	35	42
C#CCN(CC(=O)OC(C)(C)C)[C@H]1CCN(c2ccccc2OC)C1=O	ZINC000852429697	FE	On-Demand	Mild	DRD3	38	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2OC)C1=O	ZINC000852429698	FE	On-Demand	Mild	HTR1A	56	39
C#CCN(CC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2OC)C1=O	ZINC000852429698	FE	On-Demand	Mild	DRD2	35	42
C#CCN(CC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccccc2OC)C1=O	ZINC000852429698	FE	On-Demand	Mild	DRD3	38	41
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNc1ccc(Cl)cn1	ZINC000852429700	GH	On-Demand	Reactive	F10	31	41
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNc1ccc(Cl)cn1	ZINC000852429701	GH	On-Demand	Reactive	F10	31	41
C#CCN(CC[C@@H]1CCCCN1C)CC(=O)OC(C)(C)C	ZINC000852429703	CE	On-Demand	Mild	ACKR3	62	32
C#CCN(CC[C@H]1CCCCN1C)CC(=O)OC(C)(C)C	ZINC000852429704	CE	On-Demand	Mild	ACKR3	62	32
C#CCN(CC(=O)NCC1(c2ccccc2)CC1)CC(=O)OC(C)(C)C	ZINC000852429746	FE	On-Demand	Mild	KCNA3	48	40
C#CCN(CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1	ZINC000852429762	DE	On-Demand	Mild	TYMS	15	40
C#CCN(CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1	ZINC000852429762	DE	On-Demand	Mild	CACNA1C	45	37
C#CCN(CC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1	ZINC000852429762	DE	On-Demand	Mild	CACNA1D	71	37
C#CCN(CC(=O)OC(C)(C)C)Cc1cccc(C(=O)N2CCCCC2)c1	ZINC000852429776	FG	On-Demand	Mild	PREP	16	41
COC(=O)c1sccc1NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852429856	FC	On-Demand	Anodyne	FAS	33	43
COC(=O)c1sccc1NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852429857	FC	On-Demand	Anodyne	FAS	33	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H](Cc1ccccc1)c1ccccc1	ZINC000852429864	GF	On-Demand	Anodyne	CCR5	30	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H](Cc1ccccc1)c1ccccc1	ZINC000852429865	GF	On-Demand	Anodyne	CCR5	30	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](Cc1ccccc1)c1ccccc1	ZINC000852429866	GF	On-Demand	Anodyne	CCR5	30	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H](Cc1ccccc1)c1ccccc1	ZINC000852429867	GF	On-Demand	Anodyne	CCR5	30	44
O=C1OCCN1[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000852429868	CD	On-Demand	Bother	LUXR	16	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000852429868	CD	On-Demand	Bother	KCNJ1	27	52
O=C1OCCN1[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000852429869	CD	On-Demand	Bother	LUXR	16	40
O=C1OCCN1[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000852429869	CD	On-Demand	Bother	KCNJ1	27	52
C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852429892	ED	On-Demand	Anodyne	DRD4	31	52
C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852429892	ED	On-Demand	Anodyne	TPP2	54	34
C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852429893	ED	On-Demand	Anodyne	DRD4	31	52
C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852429893	ED	On-Demand	Anodyne	TPP2	54	34
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	CHRM2	17	42
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	DRD4	39	45
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	ACHE	26	46
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	CHRM3	18	45
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	LTA4H	30	44
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	SIGMAR1	33	45
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	CCR3	34	40
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	PRNP	41	36
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	HDAC1	16	42
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	MTOR	15	40
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	SLC6A5	20	40
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	NOD1	20	46
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	NOD2	53	46
O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852429895	FF	On-Demand	Anodyne	KCNK3	47	35
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	CHRM2	17	42
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	DRD4	39	45
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	ACHE	26	46
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	CHRM3	18	45
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	LTA4H	30	44
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	SIGMAR1	33	45
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	CCR3	34	40
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	PRNP	41	36
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	HDAC1	16	42
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	MTOR	15	40
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	SLC6A5	20	40
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	NOD1	20	46
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	NOD2	53	46
O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852429896	FF	On-Demand	Anodyne	KCNK3	47	35
O=C1OCCN1[C@@H]1CCN(CCOc2cccc(Cl)c2)C1	ZINC000852429923	DE	On-Demand	Anodyne	LTA4H	37	50
O=C1OCCN1[C@@H]1CCN(CCOc2cccc(Cl)c2)C1	ZINC000852429923	DE	On-Demand	Anodyne	HRH3	17	56
O=C1OCCN1[C@@H]1CCN(CCOc2cccc(Cl)c2)C1	ZINC000852429923	DE	On-Demand	Anodyne	CHRNA10	28	41
O=C1OCCN1[C@H]1CCN(CCOc2cccc(Cl)c2)C1	ZINC000852429924	DE	On-Demand	Anodyne	LTA4H	37	50
O=C1OCCN1[C@H]1CCN(CCOc2cccc(Cl)c2)C1	ZINC000852429924	DE	On-Demand	Anodyne	HRH3	17	56
O=C1OCCN1[C@H]1CCN(CCOc2cccc(Cl)c2)C1	ZINC000852429924	DE	On-Demand	Anodyne	CHRNA10	28	41
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1	ZINC000852429927	DG	On-Demand	Anodyne	P2RX7	38	43
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1	ZINC000852429927	DG	On-Demand	Anodyne	CXCR3	19	41
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1	ZINC000852429928	DG	On-Demand	Anodyne	P2RX7	38	43
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1	ZINC000852429928	DG	On-Demand	Anodyne	CXCR3	19	41
O=C1OCCN1[C@H]1CCN(Cc2cscn2)C1	ZINC000852429935	CD	On-Demand	Anodyne	SCN5A	40	32
O=C1OCCN1[C@@H]1CCN(Cc2cscn2)C1	ZINC000852429936	CD	On-Demand	Anodyne	SCN5A	40	32
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCc1ccc(F)cc1	ZINC000852429947	ED	On-Demand	Anodyne	CCR3	30	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCc1ccc(F)cc1	ZINC000852429948	ED	On-Demand	Anodyne	CCR3	30	41
C[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1cccc2ccccc12	ZINC000852429961	FF	On-Demand	Anodyne	PDE11A	51	34
C[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1cccc2ccccc12	ZINC000852429962	FF	On-Demand	Anodyne	PDE11A	51	34
C[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1cccc2ccccc12	ZINC000852429963	FF	On-Demand	Anodyne	PDE11A	51	34
C[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1cccc2ccccc12	ZINC000852429964	FF	On-Demand	Anodyne	PDE11A	51	34
O=C(NC[C@@H](O)c1ccsc1)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852429971	GG	On-Demand	Anodyne	SCD	17	45
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NC[C@H](O)c1ccsc1	ZINC000852429972	GG	On-Demand	Anodyne	SCD	17	45
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC[C@H](O)c1ccsc1	ZINC000852429973	GG	On-Demand	Anodyne	SCD	17	45
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC[C@@H](O)c1ccsc1	ZINC000852429974	GG	On-Demand	Anodyne	SCD	17	45
CCCCCNC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852429995	CC	On-Demand	Anodyne	LASR	41	34
CCCCCNC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852429996	CC	On-Demand	Anodyne	LASR	41	34
COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@H](N3CCOC3=O)C1)CC2	ZINC000852429997	GD	On-Demand	Anodyne	SLC18A2	46	33
COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@H](N3CCOC3=O)C1)CC2	ZINC000852429997	GD	On-Demand	Anodyne	ABCB1B	40	31
COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@@H](N3CCOC3=O)C1)CC2	ZINC000852429998	GD	On-Demand	Anodyne	SLC18A2	46	33
COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@@H](N3CCOC3=O)C1)CC2	ZINC000852429998	GD	On-Demand	Anodyne	ABCB1B	40	31
C[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1	ZINC000852429999	GE	On-Demand	Anodyne	PRCP	15	47
C[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1	ZINC000852430000	GE	On-Demand	Anodyne	PRCP	15	47
C[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1	ZINC000852430001	GE	On-Demand	Anodyne	PRCP	15	47
C[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1	ZINC000852430002	GE	On-Demand	Anodyne	PRCP	15	47
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(F)cc1	ZINC000852430028	EE	On-Demand	Mild	PAPA1_CARPA	18	41
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(F)cc1	ZINC000852430029	EE	On-Demand	Mild	PAPA1_CARPA	18	41
COC(=O)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430030	DD	On-Demand	Anodyne	LTA4H	22	45
COC(=O)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430030	DD	On-Demand	Anodyne	SIGMAR1	23	48
COC(=O)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430030	DD	On-Demand	Anodyne	NOD2	40	34
COC(=O)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430031	DD	On-Demand	Anodyne	LTA4H	22	45
COC(=O)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430031	DD	On-Demand	Anodyne	SIGMAR1	23	48
COC(=O)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430031	DD	On-Demand	Anodyne	NOD2	40	34
CCN(Cc1ccccc1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430038	ED	On-Demand	Anodyne	CCR5	36	43
CCN(Cc1ccccc1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430038	ED	On-Demand	Anodyne	PDE11A	54	33
Cn1cccc1C(=O)CONC(=N)CC(=O)Nc1ccccc1Cl	ZINC000852430039	EE	On-Demand	Anodyne	EPHB3	43	36
CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430040	ED	On-Demand	Anodyne	CCR5	36	43
CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430040	ED	On-Demand	Anodyne	PDE11A	54	33
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccoc1	ZINC000852430046	FE	On-Demand	Reactive	CACNA1I	52	34
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNC(=O)c1ccoc1	ZINC000852430049	FE	On-Demand	Reactive	CACNA1I	52	34
O=C1OCCN1[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1	ZINC000852430060	EE	On-Demand	Anodyne	GRM5	20	53
O=C1OCCN1[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1	ZINC000852430062	EE	On-Demand	Anodyne	GRM5	20	53
C#CCN(CC(=O)OC(C)(C)C)Cc1nc(-c2ccccc2)oc1C	ZINC000852430099	EG	On-Demand	Mild	PPARG	87	48
C#CCN(CC(=O)OC(C)(C)C)Cc1nc(-c2ccccc2)oc1C	ZINC000852430099	EG	On-Demand	Mild	PPARA	95	48
C#CCN(CC(=O)OC(C)(C)C)Cc1nc(-c2ccccc2)oc1C	ZINC000852430099	EG	On-Demand	Mild	PDE8B	60	35
COc1ccccc1[C@H](C)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430100	ED	On-Demand	Anodyne	DRD4	15	41
COc1ccccc1[C@H](C)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430104	ED	On-Demand	Anodyne	DRD4	15	41
Cc1ccccc1CNC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430107	DD	On-Demand	Anodyne	P2RX7	21	43
Cc1ccccc1CNC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430107	DD	On-Demand	Anodyne	PDE11A	44	35
Cc1ccccc1CNC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430109	DD	On-Demand	Anodyne	P2RX7	21	43
Cc1ccccc1CNC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430109	DD	On-Demand	Anodyne	PDE11A	44	35
CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852430110	CE	On-Demand	Anodyne	HTR1A	15	44
CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852430110	CE	On-Demand	Anodyne	DRD2	28	44
CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852430110	CE	On-Demand	Anodyne	DRD4	26	43
CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852430110	CE	On-Demand	Anodyne	DRD3	36	41
CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852430110	CE	On-Demand	Anodyne	HTR4	45	35
CONC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852430110	CE	On-Demand	Anodyne	CACNA1I	64	38
CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852430111	CE	On-Demand	Anodyne	HTR1A	15	44
CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852430111	CE	On-Demand	Anodyne	DRD2	28	44
CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852430111	CE	On-Demand	Anodyne	DRD4	26	43
CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852430111	CE	On-Demand	Anodyne	DRD3	36	41
CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852430111	CE	On-Demand	Anodyne	HTR4	45	35
CONC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852430111	CE	On-Demand	Anodyne	CACNA1I	64	38
O=C1OCCN1[C@@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1	ZINC000852430116	GF	On-Demand	Anodyne	GRM5	15	44
O=C1OCCN1[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)no2)C1	ZINC000852430118	GF	On-Demand	Anodyne	GRM5	15	44
C[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1Cl	ZINC000852430150	FE	On-Demand	Anodyne	OPRL1	41	39
C[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1Cl	ZINC000852430152	FE	On-Demand	Anodyne	OPRL1	41	39
C[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1Cl	ZINC000852430154	FE	On-Demand	Anodyne	OPRL1	41	39
C[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1Cl	ZINC000852430157	FE	On-Demand	Anodyne	OPRL1	41	39
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2)C1	ZINC000852430159	CD	On-Demand	Anodyne	LTA4H	60	57
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2)C1	ZINC000852430159	CD	On-Demand	Anodyne	HRH3	30	45
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2)C1	ZINC000852430159	CD	On-Demand	Anodyne	PSMB1	40	37
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2)C1	ZINC000852430160	CD	On-Demand	Anodyne	LTA4H	60	57
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2)C1	ZINC000852430160	CD	On-Demand	Anodyne	HRH3	30	45
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2)C1	ZINC000852430160	CD	On-Demand	Anodyne	PSMB1	40	37
C#CCN(CC(=O)NCc1cccc(OC)c1)CC(=O)OC(C)(C)C	ZINC000852430176	ED	On-Demand	Mild	ROCK1	37	40
C#CCN(CC(=O)NCc1cccc(OC)c1)CC(=O)OC(C)(C)C	ZINC000852430176	ED	On-Demand	Mild	MTNR1A	46	40
C#CCN(CC(=O)NCc1cccc(OC)c1)CC(=O)OC(C)(C)C	ZINC000852430176	ED	On-Demand	Mild	MTNR1B	42	40
C#CCN(CC(=O)NCc1cccc(OC)c1)CC(=O)OC(C)(C)C	ZINC000852430176	ED	On-Demand	Mild	ROCK2	42	40
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2Cl)C1	ZINC000852430178	CE	On-Demand	Anodyne	P2RX7	15	40
O=C1OCCN1[C@H]1CCN(Cc2ccccc2Cl)C1	ZINC000852430179	CE	On-Demand	Anodyne	P2RX7	15	40
O=C1OCCN1[C@@H]1CCN(Cc2cccc(F)c2)C1	ZINC000852430191	CD	On-Demand	Anodyne	DRD4	23	40
O=C1OCCN1[C@@H]1CCN(Cc2cccc(F)c2)C1	ZINC000852430191	CD	On-Demand	Anodyne	SIGMAR1	23	46
O=C1OCCN1[C@@H]1CCN(Cc2cccc(F)c2)C1	ZINC000852430191	CD	On-Demand	Anodyne	CCR3	23	40
O=C1OCCN1[C@@H]1CCN(Cc2cccc(F)c2)C1	ZINC000852430191	CD	On-Demand	Anodyne	MLNR	19	40
O=C1OCCN1[C@H]1CCN(Cc2cccc(F)c2)C1	ZINC000852430196	CD	On-Demand	Anodyne	DRD4	23	40
O=C1OCCN1[C@H]1CCN(Cc2cccc(F)c2)C1	ZINC000852430196	CD	On-Demand	Anodyne	SIGMAR1	23	46
O=C1OCCN1[C@H]1CCN(Cc2cccc(F)c2)C1	ZINC000852430196	CD	On-Demand	Anodyne	CCR3	23	40
O=C1OCCN1[C@H]1CCN(Cc2cccc(F)c2)C1	ZINC000852430196	CD	On-Demand	Anodyne	MLNR	19	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccccc2F)C1	ZINC000852430201	DD	On-Demand	Anodyne	ADRB1	15	43
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccccc2F)C1	ZINC000852430201	DD	On-Demand	Anodyne	ABCB1	62	41
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccccc2F)C1	ZINC000852430202	DD	On-Demand	Anodyne	ADRB1	15	43
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccccc2F)C1	ZINC000852430202	DD	On-Demand	Anodyne	ABCB1	62	41
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccccc2F)C1	ZINC000852430203	DD	On-Demand	Anodyne	ADRB1	15	43
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccccc2F)C1	ZINC000852430203	DD	On-Demand	Anodyne	ABCB1	62	41
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2F)C1	ZINC000852430204	DD	On-Demand	Anodyne	ADRB1	15	43
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2F)C1	ZINC000852430204	DD	On-Demand	Anodyne	ABCB1	62	41
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1	ZINC000852430210	GF	On-Demand	Anodyne	LTA4H	28	46
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1	ZINC000852430210	GF	On-Demand	Anodyne	ABCB1	58	40
C#CCN(CC(=O)OC(C)(C)C)Cc1nc(-c2cccs2)oc1C	ZINC000852430241	EG	On-Demand	Mild	PPARA	27	41
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430246	FC	On-Demand	Anodyne	OPRM1	43	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430246	FC	On-Demand	Anodyne	CMA1	47	32
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430246	FC	On-Demand	Anodyne	CTRA_BOVIN	47	32
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430246	FC	On-Demand	Anodyne	CCR5	15	41
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430246	FC	On-Demand	Anodyne	NPFFR2	45	30
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430246	FC	On-Demand	Anodyne	ACE2	51	33
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430246	FC	On-Demand	Anodyne	PDE11A	43	32
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430246	FC	On-Demand	Anodyne	PSMB8	46	41
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430247	FC	On-Demand	Anodyne	OPRM1	43	37
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430247	FC	On-Demand	Anodyne	CMA1	47	32
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430247	FC	On-Demand	Anodyne	CTRA_BOVIN	47	32
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430247	FC	On-Demand	Anodyne	CCR5	15	41
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430247	FC	On-Demand	Anodyne	NPFFR2	45	30
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430247	FC	On-Demand	Anodyne	ACE2	51	33
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430247	FC	On-Demand	Anodyne	PDE11A	43	32
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430247	FC	On-Demand	Anodyne	PSMB8	46	41
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430248	FC	On-Demand	Anodyne	OPRM1	43	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430248	FC	On-Demand	Anodyne	CMA1	47	32
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430248	FC	On-Demand	Anodyne	CTRA_BOVIN	47	32
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430248	FC	On-Demand	Anodyne	CCR5	15	41
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430248	FC	On-Demand	Anodyne	NPFFR2	45	30
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430248	FC	On-Demand	Anodyne	ACE2	51	33
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430248	FC	On-Demand	Anodyne	PDE11A	43	32
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430248	FC	On-Demand	Anodyne	PSMB8	46	41
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430249	FC	On-Demand	Anodyne	OPRM1	43	37
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430249	FC	On-Demand	Anodyne	CMA1	47	32
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430249	FC	On-Demand	Anodyne	CTRA_BOVIN	47	32
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430249	FC	On-Demand	Anodyne	CCR5	15	41
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430249	FC	On-Demand	Anodyne	NPFFR2	45	30
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430249	FC	On-Demand	Anodyne	ACE2	51	33
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430249	FC	On-Demand	Anodyne	PDE11A	43	32
CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430249	FC	On-Demand	Anodyne	PSMB8	46	41
O=C1OCCN1[C@H]1CCN(Cc2nc(-c3cccs3)no2)C1	ZINC000852430262	DD	On-Demand	Anodyne	ETHR	32	43
O=C1OCCN1[C@@H]1CCN(Cc2nc(-c3cccs3)no2)C1	ZINC000852430263	DD	On-Demand	Anodyne	ETHR	32	43
O=C(NCc1ccccc1O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852430272	FG	On-Demand	Clean	KCNQ2	24	40
O=C(NCc1ccccc1O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852430273	FG	On-Demand	Clean	KCNQ2	24	40
C#CCN(CC(=O)Nc1ccccc1N1CCCC1=O)CC(=O)OC(C)(C)C	ZINC000852430294	GE	On-Demand	Mild	KCNQ2	70	39
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852430298	FD	On-Demand	Mild	AMP1_PLAFQ	17	40
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852430299	FD	On-Demand	Mild	AMP1_PLAFQ	17	40
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2)C1	ZINC000852430304	DC	On-Demand	Anodyne	ADRB2	20	40
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2)C1	ZINC000852430304	DC	On-Demand	Anodyne	ADRB1	21	40
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2)C1	ZINC000852430304	DC	On-Demand	Anodyne	ABCB1	66	40
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccccc2)C1	ZINC000852430305	DC	On-Demand	Anodyne	ADRB2	20	40
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccccc2)C1	ZINC000852430305	DC	On-Demand	Anodyne	ADRB1	21	40
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccccc2)C1	ZINC000852430305	DC	On-Demand	Anodyne	ABCB1	66	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccccc2)C1	ZINC000852430306	DC	On-Demand	Anodyne	ADRB2	20	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccccc2)C1	ZINC000852430306	DC	On-Demand	Anodyne	ADRB1	21	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccccc2)C1	ZINC000852430306	DC	On-Demand	Anodyne	ABCB1	66	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccccc2)C1	ZINC000852430307	DC	On-Demand	Anodyne	ADRB2	20	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccccc2)C1	ZINC000852430307	DC	On-Demand	Anodyne	ADRB1	21	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccccc2)C1	ZINC000852430307	DC	On-Demand	Anodyne	ABCB1	66	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1	ZINC000852430312	GF	On-Demand	Anodyne	LTA4H	28	46
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1	ZINC000852430312	GF	On-Demand	Anodyne	ABCB1	58	40
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1	ZINC000852430315	GF	On-Demand	Anodyne	LTA4H	28	46
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1	ZINC000852430315	GF	On-Demand	Anodyne	ABCB1	58	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1	ZINC000852430317	GF	On-Demand	Anodyne	LTA4H	28	46
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1	ZINC000852430317	GF	On-Demand	Anodyne	ABCB1	58	40
C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852430319	ED	On-Demand	Anodyne	CCR5	49	32
C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852430321	ED	On-Demand	Anodyne	CCR5	49	32
C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852430323	ED	On-Demand	Anodyne	CCR5	49	32
C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852430325	ED	On-Demand	Anodyne	CCR5	49	32
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)cc2)C1	ZINC000852430327	CE	On-Demand	Anodyne	DRD4	40	41
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)cc2)C1	ZINC000852430327	CE	On-Demand	Anodyne	SIGMAR1	21	43
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)cc2)C1	ZINC000852430328	CE	On-Demand	Anodyne	DRD4	40	41
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)cc2)C1	ZINC000852430328	CE	On-Demand	Anodyne	SIGMAR1	21	43
O=C1OCCN1[C@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852430336	CD	On-Demand	Anodyne	SLC6A3	20	44
O=C1OCCN1[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1	ZINC000852430337	CD	On-Demand	Anodyne	SLC6A3	20	44
O=C1OCCN1[C@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852430338	CD	On-Demand	Anodyne	SLC6A3	20	44
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1	ZINC000852430339	CD	On-Demand	Anodyne	SLC6A3	20	44
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2)C1	ZINC000852430340	ED	On-Demand	Anodyne	EBP	18	43
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2)C1	ZINC000852430341	ED	On-Demand	Anodyne	EBP	18	43
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2)C1	ZINC000852430342	ED	On-Demand	Anodyne	EBP	18	43
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2)C1	ZINC000852430343	ED	On-Demand	Anodyne	EBP	18	43
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1	ZINC000852430356	GF	On-Demand	Anodyne	SLC6A3	39	48
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1	ZINC000852430357	GF	On-Demand	Anodyne	SLC6A3	39	48
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COC(c2ccccc2)c2ccccc2)C1	ZINC000852430358	GF	On-Demand	Anodyne	SLC6A3	39	48
O=C1OCCN1[C@H]1CCN(C[C@H](O)COC(c2ccccc2)c2ccccc2)C1	ZINC000852430359	GF	On-Demand	Anodyne	SLC6A3	39	48
COc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430371	DD	On-Demand	Anodyne	LTA4H	55	56
COc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430371	DD	On-Demand	Anodyne	HRH3	43	39
COc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430371	DD	On-Demand	Anodyne	SIGMAR1	18	42
COc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430371	DD	On-Demand	Anodyne	EBP	19	42
COc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430372	DD	On-Demand	Anodyne	LTA4H	55	56
COc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430372	DD	On-Demand	Anodyne	HRH3	43	39
COc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430372	DD	On-Demand	Anodyne	SIGMAR1	18	42
COc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430372	DD	On-Demand	Anodyne	EBP	19	42
CCCOc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430373	EE	On-Demand	Anodyne	LTA4H	49	53
CCCOc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430373	EE	On-Demand	Anodyne	PSMB1	40	35
CCCOc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430374	EE	On-Demand	Anodyne	LTA4H	49	53
CCCOc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430374	EE	On-Demand	Anodyne	PSMB1	40	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1ccc(Cl)cc1	ZINC000852430448	FD	On-Demand	Anodyne	AVPR1B	22	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1ccc(Cl)cc1	ZINC000852430448	FD	On-Demand	Anodyne	LTA4H	16	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1ccc(Cl)cc1	ZINC000852430448	FD	On-Demand	Anodyne	TRAR	27	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1ccc(Cl)cc1	ZINC000852430449	FD	On-Demand	Anodyne	AVPR1B	22	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1ccc(Cl)cc1	ZINC000852430449	FD	On-Demand	Anodyne	LTA4H	16	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1ccc(Cl)cc1	ZINC000852430449	FD	On-Demand	Anodyne	TRAR	27	40
CCC[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430460	EE	On-Demand	Anodyne	CCR5	55	46
CCC[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430460	EE	On-Demand	Anodyne	BIRC8	47	33
CCC[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430461	EE	On-Demand	Anodyne	CCR5	55	46
CCC[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430461	EE	On-Demand	Anodyne	BIRC8	47	33
CCC[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430462	EE	On-Demand	Anodyne	CCR5	55	46
CCC[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430462	EE	On-Demand	Anodyne	BIRC8	47	33
CCC[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430463	EE	On-Demand	Anodyne	CCR5	55	46
CCC[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430463	EE	On-Demand	Anodyne	BIRC8	47	33
O=C1OCCN1[C@@H]1CCN(Cc2ccc(F)cc2Cl)C1	ZINC000852430518	CF	On-Demand	Anodyne	P2RX7	55	46
O=C1OCCN1[C@H]1CCN(Cc2ccc(F)cc2Cl)C1	ZINC000852430519	CF	On-Demand	Anodyne	P2RX7	55	46
N#Cc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430520	DD	On-Demand	Mild	LTA4H	41	52
N#Cc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430520	DD	On-Demand	Mild	HRH3	26	47
N#Cc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430520	DD	On-Demand	Mild	MEN1	42	39
N#Cc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430521	DD	On-Demand	Mild	LTA4H	41	52
N#Cc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430521	DD	On-Demand	Mild	HRH3	26	47
N#Cc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430521	DD	On-Demand	Mild	MEN1	42	39
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Cl)cc2)C1	ZINC000852430522	DE	On-Demand	Anodyne	LTA4H	53	53
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Cl)cc2)C1	ZINC000852430522	DE	On-Demand	Anodyne	HRH3	29	44
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Cl)cc2)C1	ZINC000852430522	DE	On-Demand	Anodyne	EBP	19	53
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Cl)cc2)C1	ZINC000852430523	DE	On-Demand	Anodyne	LTA4H	53	53
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Cl)cc2)C1	ZINC000852430523	DE	On-Demand	Anodyne	HRH3	29	44
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Cl)cc2)C1	ZINC000852430523	DE	On-Demand	Anodyne	EBP	19	53
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430533	FE	On-Demand	Anodyne	CCR5	24	43
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430534	FE	On-Demand	Anodyne	CCR5	24	43
Cc1cc(OCCN2CC[C@H](N3CCOC3=O)C2)ccc1C(C)C	ZINC000852430538	EG	On-Demand	Anodyne	LTA4H	28	48
Cc1cc(OCCN2CC[C@@H](N3CCOC3=O)C2)ccc1C(C)C	ZINC000852430539	EG	On-Demand	Anodyne	LTA4H	28	48
O=C1OCCN1[C@H]1CCN(Cc2cccc3ccccc23)C1	ZINC000852430554	CF	On-Demand	Anodyne	PDE11A	73	35
O=C1OCCN1[C@@H]1CCN(Cc2cccc3ccccc23)C1	ZINC000852430555	CF	On-Demand	Anodyne	PDE11A	73	35
C[C@H](NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430557	ED	On-Demand	Anodyne	CCR5	21	42
C[C@H](NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430557	ED	On-Demand	Anodyne	XIAP	42	37
C[C@H](NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430557	ED	On-Demand	Anodyne	BIRC8	62	37
C[C@H](NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430559	ED	On-Demand	Anodyne	CCR5	21	42
C[C@H](NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430559	ED	On-Demand	Anodyne	XIAP	42	37
C[C@H](NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852430559	ED	On-Demand	Anodyne	BIRC8	62	37
O=C1OCCN1[C@H]1CCN(Cc2csc(Nc3ccccc3)n2)C1	ZINC000852430576	EF	On-Demand	Anodyne	TRPC6	41	31
O=C1OCCN1[C@H]1CCN(Cc2csc(Nc3ccccc3)n2)C1	ZINC000852430576	EF	On-Demand	Anodyne	TRPC3	40	31
O=C1OCCN1[C@@H]1CCN(Cc2csc(Nc3ccccc3)n2)C1	ZINC000852430577	EF	On-Demand	Anodyne	TRPC6	41	31
O=C1OCCN1[C@@H]1CCN(Cc2csc(Nc3ccccc3)n2)C1	ZINC000852430577	EF	On-Demand	Anodyne	TRPC3	40	31
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430582	GE	On-Demand	Anodyne	TACR2	68	37
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430582	GE	On-Demand	Anodyne	TACR3	50	42
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430583	GE	On-Demand	Anodyne	TACR2	68	37
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852430583	GE	On-Demand	Anodyne	TACR3	50	42
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2F)C1	ZINC000852430598	CD	On-Demand	Anodyne	LTA4H	21	49
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2F)C1	ZINC000852430598	CD	On-Demand	Anodyne	HTR7	16	41
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2F)C1	ZINC000852430599	CD	On-Demand	Anodyne	LTA4H	21	49
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2F)C1	ZINC000852430599	CD	On-Demand	Anodyne	HTR7	16	41
O=C1OCCN1[C@@H]1CCN(CCc2ccccn2)C1	ZINC000852430618	CD	On-Demand	Anodyne	PDE11A	35	45
O=C1OCCN1[C@H]1CCN(CCc2ccccn2)C1	ZINC000852430619	CD	On-Demand	Anodyne	PDE11A	35	45
O=C1OCCN1[C@@H]1CCN(CCOc2cccc(Br)c2)C1	ZINC000852430646	FE	On-Demand	Anodyne	LTA4H	31	49
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1Cl	ZINC000852430647	FD	On-Demand	Anodyne	P2RX7	46	40
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1Cl	ZINC000852430647	FD	On-Demand	Anodyne	PDE11A	38	40
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1Cl	ZINC000852430648	FD	On-Demand	Anodyne	P2RX7	46	40
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1Cl	ZINC000852430648	FD	On-Demand	Anodyne	PDE11A	38	40
O=C1OCCN1[C@H]1CCN(CCOc2cccc(Br)c2)C1	ZINC000852430681	FE	On-Demand	Anodyne	LTA4H	31	49
O=C1OCCN1[C@@H]1CCN(CCOc2cccc(F)c2)C1	ZINC000852430691	CD	On-Demand	Anodyne	LTA4H	34	49
O=C1OCCN1[C@@H]1CCN(CCOc2cccc(F)c2)C1	ZINC000852430691	CD	On-Demand	Anodyne	HRH3	16	43
O=C1OCCN1[C@@H]1CCN(CCOc2cccc(F)c2)C1	ZINC000852430691	CD	On-Demand	Anodyne	CHRNA10	47	44
O=C1OCCN1[C@H]1CCN(CCOc2cccc(F)c2)C1	ZINC000852430693	CD	On-Demand	Anodyne	LTA4H	34	49
O=C1OCCN1[C@H]1CCN(CCOc2cccc(F)c2)C1	ZINC000852430693	CD	On-Demand	Anodyne	HRH3	16	43
O=C1OCCN1[C@H]1CCN(CCOc2cccc(F)c2)C1	ZINC000852430693	CD	On-Demand	Anodyne	CHRNA10	47	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)N(Cc1ccccc1)c1ccccc1	ZINC000852430743	GF	On-Demand	Anodyne	CHRM2	21	47
O=C(CN1CC[C@H](N2CCOC2=O)C1)N(Cc1ccccc1)c1ccccc1	ZINC000852430743	GF	On-Demand	Anodyne	CHRM3	22	47
O=C(CN1CC[C@H](N2CCOC2=O)C1)N(Cc1ccccc1)c1ccccc1	ZINC000852430743	GF	On-Demand	Anodyne	CCR5	18	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N(Cc1ccccc1)c1ccccc1	ZINC000852430745	GF	On-Demand	Anodyne	CHRM2	21	47
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N(Cc1ccccc1)c1ccccc1	ZINC000852430745	GF	On-Demand	Anodyne	CHRM3	22	47
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N(Cc1ccccc1)c1ccccc1	ZINC000852430745	GF	On-Demand	Anodyne	CCR5	18	42
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccccc2Cl)C1	ZINC000852430762	ED	On-Demand	Anodyne	ABCB1	62	42
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccccc2Cl)C1	ZINC000852430764	ED	On-Demand	Anodyne	ABCB1	62	42
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccccc2Cl)C1	ZINC000852430766	ED	On-Demand	Anodyne	ABCB1	62	42
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2Cl)C1	ZINC000852430770	ED	On-Demand	Anodyne	ABCB1	62	42
N#Cc1cccc(OCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430777	DD	On-Demand	Mild	LTA4H	24	48
N#Cc1cccc(OCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430777	DD	On-Demand	Mild	CHRNA10	35	45
N#Cc1cccc(OCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430778	DD	On-Demand	Mild	LTA4H	24	48
N#Cc1cccc(OCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430778	DD	On-Demand	Mild	CHRNA10	35	45
CCN(C(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1cccc2ccccc12	ZINC000852430780	FF	On-Demand	Anodyne	PDE11A	52	35
O=C1OCCN1[C@H]1CCN(CCOCCOc2ccccc2)C1	ZINC000852430796	DD	On-Demand	Anodyne	LTA4H	37	52
O=C1OCCN1[C@H]1CCN(CCOCCOc2ccccc2)C1	ZINC000852430796	DD	On-Demand	Anodyne	HRH3	29	42
O=C1OCCN1[C@@H]1CCN(CCOCCOc2ccccc2)C1	ZINC000852430798	DD	On-Demand	Anodyne	LTA4H	37	52
O=C1OCCN1[C@@H]1CCN(CCOCCOc2ccccc2)C1	ZINC000852430798	DD	On-Demand	Anodyne	HRH3	29	42
COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430810	GF	On-Demand	Anodyne	CASR	18	44
COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430810	GF	On-Demand	Anodyne	CCR3	15	41
COc1cccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430811	GF	On-Demand	Anodyne	CASR	18	44
COc1cccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430811	GF	On-Demand	Anodyne	CCR3	15	41
COc1cccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430812	GF	On-Demand	Anodyne	CASR	18	44
COc1cccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430812	GF	On-Demand	Anodyne	CCR3	15	41
COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430813	GF	On-Demand	Anodyne	CASR	18	44
COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430813	GF	On-Demand	Anodyne	CCR3	15	41
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852430826	DF	On-Demand	Anodyne	LTA4H	24	48
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852430826	DF	On-Demand	Anodyne	HRH3	83	51
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852430826	DF	On-Demand	Anodyne	SIGMAR1	17	54
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852430826	DF	On-Demand	Anodyne	EBP	19	54
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852430827	DF	On-Demand	Anodyne	LTA4H	24	48
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852430827	DF	On-Demand	Anodyne	HRH3	83	51
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852430827	DF	On-Demand	Anodyne	SIGMAR1	17	54
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(Cl)cc2)C1	ZINC000852430827	DF	On-Demand	Anodyne	EBP	19	54
O=C(c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1)N1CCCC1	ZINC000852430842	ED	On-Demand	Anodyne	HRH3	28	43
O=C(c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1)N1CCCC1	ZINC000852430842	ED	On-Demand	Anodyne	CXCR3	21	42
O=C(c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1)N1CCCC1	ZINC000852430842	ED	On-Demand	Anodyne	L3MBTL3	96	58
O=C(c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1)N1CCCC1	ZINC000852430843	ED	On-Demand	Anodyne	HRH3	28	43
O=C(c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1)N1CCCC1	ZINC000852430843	ED	On-Demand	Anodyne	CXCR3	21	42
O=C(c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1)N1CCCC1	ZINC000852430843	ED	On-Demand	Anodyne	L3MBTL3	96	58
Cc1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430848	DD	On-Demand	Anodyne	ACOX1	82	34
Cc1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430848	DD	On-Demand	Anodyne	ABCB1	44	38
Cc1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430849	DD	On-Demand	Anodyne	ACOX1	82	34
Cc1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430849	DD	On-Demand	Anodyne	ABCB1	44	38
Cc1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430850	DD	On-Demand	Anodyne	ACOX1	82	34
Cc1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430850	DD	On-Demand	Anodyne	ABCB1	44	38
Cc1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430851	DD	On-Demand	Anodyne	ACOX1	82	34
Cc1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430851	DD	On-Demand	Anodyne	ABCB1	44	38
CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430870	ED	On-Demand	Anodyne	ACOX1	53	33
CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430870	ED	On-Demand	Anodyne	ABCB1	52	52
CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430871	ED	On-Demand	Anodyne	ACOX1	53	33
CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430871	ED	On-Demand	Anodyne	ABCB1	52	52
CC(=O)c1cccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430872	ED	On-Demand	Anodyne	ACOX1	53	33
CC(=O)c1cccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852430872	ED	On-Demand	Anodyne	ABCB1	52	52
CC(=O)c1cccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430873	ED	On-Demand	Anodyne	ACOX1	53	33
CC(=O)c1cccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852430873	ED	On-Demand	Anodyne	ABCB1	52	52
NC(=O)CCN(C(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852430883	GC	On-Demand	Anodyne	WNT3A	45	33
NC(=O)CCN(C(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852430885	GC	On-Demand	Anodyne	WNT3A	45	33
O=C1OCCN1[C@@H]1CCN(Cc2ccc(F)cc2)C1	ZINC000852430891	CD	On-Demand	Anodyne	DRD4	23	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc(F)cc2)C1	ZINC000852430891	CD	On-Demand	Anodyne	SIGMAR1	32	44
O=C1OCCN1[C@H]1CCN(Cc2ccc(F)cc2)C1	ZINC000852430893	CD	On-Demand	Anodyne	DRD4	23	40
O=C1OCCN1[C@H]1CCN(Cc2ccc(F)cc2)C1	ZINC000852430893	CD	On-Demand	Anodyne	SIGMAR1	32	44
CS(=O)(=O)c1ccc([C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430895	FC	On-Demand	Anodyne	CCR5	19	46
CS(=O)(=O)c1ccc([C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430897	FC	On-Demand	Anodyne	CCR5	19	46
CS(=O)(=O)c1ccc([C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430899	FC	On-Demand	Anodyne	CCR5	19	46
CS(=O)(=O)c1ccc([C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430901	FC	On-Demand	Anodyne	CCR5	19	46
O=C1OCCN1[C@H]1CCN(CCCOCCc2ccccc2)C1	ZINC000852430903	DE	On-Demand	Anodyne	SIGMAR1	38	40
O=C1OCCN1[C@@H]1CCN(CCCOCCc2ccccc2)C1	ZINC000852430905	DE	On-Demand	Anodyne	SIGMAR1	38	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)N(Cc1ccccc1)C1CC1	ZINC000852430915	ED	On-Demand	Anodyne	CCR5	28	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N(Cc1ccccc1)C1CC1	ZINC000852430917	ED	On-Demand	Anodyne	CCR5	28	42
COc1ccc(-c2cnc(CN3CC[C@H](N4CCOC4=O)C3)o2)cc1	ZINC000852430919	EE	On-Demand	Anodyne	LTA4H	15	43
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NC(=O)Nc1ccccc1	ZINC000852430921	ED	On-Demand	Anodyne	LTA4H	15	40
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NC(=O)Nc1ccccc1	ZINC000852430921	ED	On-Demand	Anodyne	CCR3	24	40
COc1ccc(-c2cnc(CN3CC[C@@H](N4CCOC4=O)C3)o2)cc1	ZINC000852430922	EE	On-Demand	Anodyne	LTA4H	15	43
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NC(=O)Nc1ccccc1	ZINC000852430923	ED	On-Demand	Anodyne	LTA4H	15	40
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NC(=O)Nc1ccccc1	ZINC000852430923	ED	On-Demand	Anodyne	CCR3	24	40
Cc1ccc(CNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430924	DD	On-Demand	Anodyne	PDE11A	55	38
Cc1ccc(CNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430926	DD	On-Demand	Anodyne	PDE11A	55	38
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430939	FC	On-Demand	Anodyne	ADRB1	34	44
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430939	FC	On-Demand	Anodyne	ACOX1	51	36
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430941	FC	On-Demand	Anodyne	ADRB1	34	44
CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430941	FC	On-Demand	Anodyne	ACOX1	51	36
CC(=O)c1ccccc1OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852430942	DD	On-Demand	Anodyne	SLC6A1	49	33
CC(=O)c1ccccc1OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852430942	DD	On-Demand	Anodyne	LTA4H	17	46
CC(=O)c1ccccc1OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852430942	DD	On-Demand	Anodyne	HTR7	16	45
CC(=O)c1ccccc1OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852430942	DD	On-Demand	Anodyne	HCN1	47	33
CC(=O)c1ccccc1OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852430942	DD	On-Demand	Anodyne	HCN4	41	33
CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430943	FC	On-Demand	Anodyne	ADRB1	34	44
CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852430943	FC	On-Demand	Anodyne	ACOX1	51	36
CC(=O)c1ccccc1OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430944	DD	On-Demand	Anodyne	SLC6A1	49	33
CC(=O)c1ccccc1OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430944	DD	On-Demand	Anodyne	LTA4H	17	46
CC(=O)c1ccccc1OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430944	DD	On-Demand	Anodyne	HTR7	16	45
CC(=O)c1ccccc1OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430944	DD	On-Demand	Anodyne	HCN1	47	33
CC(=O)c1ccccc1OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852430944	DD	On-Demand	Anodyne	HCN4	41	33
CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430945	FC	On-Demand	Anodyne	ADRB1	34	44
CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852430945	FC	On-Demand	Anodyne	ACOX1	51	36
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852430959	ED	On-Demand	Anodyne	NOS2	44	31
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852430959	ED	On-Demand	Anodyne	PDE11A	61	41
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852430961	ED	On-Demand	Anodyne	NOS2	44	31
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852430961	ED	On-Demand	Anodyne	PDE11A	61	41
O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431035	GF	On-Demand	Anodyne	CCR5	17	41
O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431036	GF	On-Demand	Anodyne	CCR5	17	41
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431037	GF	On-Demand	Anodyne	CCR5	17	41
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431038	GF	On-Demand	Anodyne	CCR5	17	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1	ZINC000852431045	CD	On-Demand	Anodyne	DRD4	15	46
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1	ZINC000852431045	CD	On-Demand	Anodyne	LTA4H	16	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1	ZINC000852431045	CD	On-Demand	Anodyne	NPY5R	15	52
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1	ZINC000852431046	CD	On-Demand	Anodyne	DRD4	15	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1	ZINC000852431046	CD	On-Demand	Anodyne	LTA4H	16	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1	ZINC000852431046	CD	On-Demand	Anodyne	NPY5R	15	52
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Br)c2)C1	ZINC000852431071	EE	On-Demand	Anodyne	DRD4	21	41
O=C1OCCN1[C@H]1CCN(Cc2cccc(Br)c2)C1	ZINC000852431072	EE	On-Demand	Anodyne	DRD4	21	41
O=C1OCCN1[C@@H]1CCN(C[C@@H]2COc3ccccc3O2)C1	ZINC000852431089	DD	On-Demand	Anodyne	ADRA2B	18	44
O=C1OCCN1[C@@H]1CCN(C[C@H]2COc3ccccc3O2)C1	ZINC000852431090	DD	On-Demand	Anodyne	ADRA2B	18	44
O=C1OCCN1[C@H]1CCN(C[C@@H]2COc3ccccc3O2)C1	ZINC000852431091	DD	On-Demand	Anodyne	ADRA2B	18	44
O=C1OCCN1[C@H]1CCN(C[C@H]2COc3ccccc3O2)C1	ZINC000852431092	DD	On-Demand	Anodyne	ADRA2B	18	44
N=C(CC(=O)Nc1ccccc1Cl)NOCc1cn2cc(Cl)ccc2n1	ZINC000852431097	GH	On-Demand	Anodyne	EPHB3	50	38
NS(=O)(=O)c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852431107	FC	On-Demand	Anodyne	LTA4H	39	50
NS(=O)(=O)c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852431107	FC	On-Demand	Anodyne	CA7	21	40
NS(=O)(=O)c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852431110	FC	On-Demand	Anodyne	LTA4H	39	50
NS(=O)(=O)c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852431110	FC	On-Demand	Anodyne	CA7	21	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cc(F)cc(F)c1	ZINC000852431115	ED	On-Demand	Anodyne	NPY5R	15	51
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cc(F)cc(F)c1	ZINC000852431117	ED	On-Demand	Anodyne	NPY5R	15	51
O=C1OCCN1[C@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431143	CD	On-Demand	Anodyne	DRD2	15	44
O=C1OCCN1[C@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431143	CD	On-Demand	Anodyne	KCNH2	15	44
O=C1OCCN1[C@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431143	CD	On-Demand	Anodyne	CHRM3	16	46
O=C1OCCN1[C@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431143	CD	On-Demand	Anodyne	LTA4H	37	52
O=C1OCCN1[C@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431143	CD	On-Demand	Anodyne	HRH3	82	44
O=C1OCCN1[C@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431143	CD	On-Demand	Anodyne	SIGMAR1	29	46
O=C1OCCN1[C@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431143	CD	On-Demand	Anodyne	NPY1R	41	34
O=C1OCCN1[C@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431143	CD	On-Demand	Anodyne	MEN1	44	37
O=C1OCCN1[C@@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431145	CD	On-Demand	Anodyne	DRD2	15	44
O=C1OCCN1[C@@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431145	CD	On-Demand	Anodyne	KCNH2	15	44
O=C1OCCN1[C@@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431145	CD	On-Demand	Anodyne	CHRM3	16	46
O=C1OCCN1[C@@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431145	CD	On-Demand	Anodyne	LTA4H	37	52
O=C1OCCN1[C@@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431145	CD	On-Demand	Anodyne	HRH3	82	44
O=C1OCCN1[C@@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431145	CD	On-Demand	Anodyne	SIGMAR1	29	46
O=C1OCCN1[C@@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431145	CD	On-Demand	Anodyne	NPY1R	41	34
O=C1OCCN1[C@@H]1CCN(CCCOc2ccccc2)C1	ZINC000852431145	CD	On-Demand	Anodyne	MEN1	44	37
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cccc(Cl)c1	ZINC000852431147	ED	On-Demand	Anodyne	DRD4	15	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cccc(Cl)c1	ZINC000852431147	ED	On-Demand	Anodyne	CCR4	22	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cccc(Cl)c1	ZINC000852431147	ED	On-Demand	Anodyne	PDE11A	54	33
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cccc(Cl)c1	ZINC000852431149	ED	On-Demand	Anodyne	DRD4	15	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cccc(Cl)c1	ZINC000852431149	ED	On-Demand	Anodyne	CCR4	22	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cccc(Cl)c1	ZINC000852431149	ED	On-Demand	Anodyne	PDE11A	54	33
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431159	FF	On-Demand	Anodyne	RBP4	65	34
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Br)cc2)C1	ZINC000852431161	FE	On-Demand	Anodyne	LTA4H	47	53
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Br)cc2)C1	ZINC000852431161	FE	On-Demand	Anodyne	HRH3	24	41
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Br)cc2)C1	ZINC000852431163	FE	On-Demand	Anodyne	LTA4H	47	53
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Br)cc2)C1	ZINC000852431163	FE	On-Demand	Anodyne	HRH3	24	41
C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431164	FF	On-Demand	Anodyne	RBP4	65	34
Cc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852431165	CE	On-Demand	Anodyne	DRD4	32	41
Cc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852431165	CE	On-Demand	Anodyne	PDE11A	26	40
Cc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852431167	CE	On-Demand	Anodyne	DRD4	32	41
Cc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852431167	CE	On-Demand	Anodyne	PDE11A	26	40
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(F)cc2)C1	ZINC000852431203	CD	On-Demand	Anodyne	ESR2	19	42
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(F)cc2)C1	ZINC000852431203	CD	On-Demand	Anodyne	LTA4H	51	53
O=C1OCCN1[C@@H]1CCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852431204	CC	On-Demand	Anodyne	SLC18A3	36	44
O=C1OCCN1[C@H]1CCN(CCOc2ccc(F)cc2)C1	ZINC000852431205	CD	On-Demand	Anodyne	ESR2	19	42
O=C1OCCN1[C@H]1CCN(CCOc2ccc(F)cc2)C1	ZINC000852431205	CD	On-Demand	Anodyne	LTA4H	51	53
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000852431206	GF	On-Demand	Anodyne	ACOX1	50	38
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000852431206	GF	On-Demand	Anodyne	ABCB1	57	40
O=C1OCCN1[C@H]1CCN([C@@H]2CCCC[C@H]2O)C1	ZINC000852431207	CC	On-Demand	Anodyne	SLC18A3	36	44
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000852431208	GF	On-Demand	Anodyne	ACOX1	50	38
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000852431208	GF	On-Demand	Anodyne	ABCB1	57	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000852431209	GF	On-Demand	Anodyne	ACOX1	50	38
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000852431209	GF	On-Demand	Anodyne	ABCB1	57	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000852431211	GF	On-Demand	Anodyne	ACOX1	50	38
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1	ZINC000852431211	GF	On-Demand	Anodyne	ABCB1	57	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000852431255	GE	On-Demand	Anodyne	CCR1	42	40
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000852431256	GE	On-Demand	Anodyne	CCR1	42	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000852431257	GE	On-Demand	Anodyne	CCR1	42	40
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000852431258	GE	On-Demand	Anodyne	CCR1	42	40
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2Cl)C1	ZINC000852431259	DE	On-Demand	Anodyne	LTA4H	31	49
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2Cl)C1	ZINC000852431259	DE	On-Demand	Anodyne	HTR7	15	42
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2Cl)C1	ZINC000852431260	DE	On-Demand	Anodyne	LTA4H	31	49
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2Cl)C1	ZINC000852431260	DE	On-Demand	Anodyne	HTR7	15	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431270	GC	On-Demand	Anodyne	LTA4H	17	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431270	GC	On-Demand	Anodyne	PIK3CA	28	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431270	GC	On-Demand	Anodyne	MTOR	53	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431270	GC	On-Demand	Anodyne	EPHX2	17	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431270	GC	On-Demand	Anodyne	PIK3CG	15	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431273	GC	On-Demand	Anodyne	LTA4H	17	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431273	GC	On-Demand	Anodyne	PIK3CA	28	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431273	GC	On-Demand	Anodyne	MTOR	53	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431273	GC	On-Demand	Anodyne	EPHX2	17	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(CN2CCOCC2)cc1	ZINC000852431273	GC	On-Demand	Anodyne	PIK3CG	15	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N(Cc1ccccc1)Cc1ccco1	ZINC000852431274	GE	On-Demand	Anodyne	PDE11A	46	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N(Cc1ccccc1)Cc1ccco1	ZINC000852431274	GE	On-Demand	Anodyne	MRGPRX1	18	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N(Cc1ccccc1)Cc1ccco1	ZINC000852431278	GE	On-Demand	Anodyne	PDE11A	46	32
O=C(CN1CC[C@H](N2CCOC2=O)C1)N(Cc1ccccc1)Cc1ccco1	ZINC000852431278	GE	On-Demand	Anodyne	MRGPRX1	18	41
O=C1OCCN1[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1	ZINC000852431290	FE	On-Demand	Anodyne	GRM5	17	54
O=C1OCCN1[C@@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1	ZINC000852431293	FE	On-Demand	Anodyne	GRM5	17	54
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccccn1	ZINC000852431328	DC	On-Demand	Anodyne	PDE11A	48	37
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccccn1	ZINC000852431331	DC	On-Demand	Anodyne	PDE11A	48	37
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(CN2CCCC2)cc1	ZINC000852431333	GD	On-Demand	Anodyne	HRH3	20	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(CN2CCCC2)cc1	ZINC000852431333	GD	On-Demand	Anodyne	SIGMAR1	18	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(CN2CCCC2)cc1	ZINC000852431333	GD	On-Demand	Anodyne	PDE11A	48	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(CN2CCCC2)cc1	ZINC000852431339	GD	On-Demand	Anodyne	HRH3	20	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(CN2CCCC2)cc1	ZINC000852431339	GD	On-Demand	Anodyne	SIGMAR1	18	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(CN2CCCC2)cc1	ZINC000852431339	GD	On-Demand	Anodyne	PDE11A	48	35
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000852431347	FE	On-Demand	Anodyne	ACOX1	83	37
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000852431347	FE	On-Demand	Anodyne	ABCB1	52	39
O=C1OCCN1[C@@H]1CCN(CCNS(=O)(=O)c2ccccc2)C1	ZINC000852431350	EC	On-Demand	Anodyne	HTR7	22	52
O=C1OCCN1[C@H]1CCN(CCNS(=O)(=O)c2ccccc2)C1	ZINC000852431351	EC	On-Demand	Anodyne	HTR7	22	52
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000852431352	FE	On-Demand	Anodyne	ACOX1	83	37
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000852431352	FE	On-Demand	Anodyne	ABCB1	52	39
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000852431359	FE	On-Demand	Anodyne	ACOX1	83	37
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000852431359	FE	On-Demand	Anodyne	ABCB1	52	39
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000852431364	FE	On-Demand	Anodyne	ACOX1	83	37
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000852431364	FE	On-Demand	Anodyne	ABCB1	52	39
O=C1OCCN1[C@@H]1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1	ZINC000852431366	GG	On-Demand	Anodyne	PTGER1	42	39
O=C1OCCN1[C@H]1CCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1	ZINC000852431372	GG	On-Demand	Anodyne	PTGER1	42	39
COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)c(OC)c1	ZINC000852431381	GC	On-Demand	Anodyne	ABCB1	45	35
O=C1OCCN1[C@@H]1CCN(Cc2csc3ccccc23)C1	ZINC000852431384	DF	On-Demand	Anodyne	PDE11A	53	34
O=C1OCCN1[C@H]1CCN(Cc2csc3ccccc23)C1	ZINC000852431385	DF	On-Demand	Anodyne	PDE11A	53	34
CCOc1ccccc1NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852431386	ED	On-Demand	Anodyne	HCN1	43	34
COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)c(OC)c1	ZINC000852431387	GC	On-Demand	Anodyne	ABCB1	45	35
CCOc1ccccc1NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852431392	ED	On-Demand	Anodyne	HCN1	43	34
COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)c(OC)c1	ZINC000852431394	GC	On-Demand	Anodyne	ABCB1	45	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1	ZINC000852431395	DC	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1	ZINC000852431395	DC	On-Demand	Anodyne	CCR5	16	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1	ZINC000852431395	DC	On-Demand	Anodyne	PDE11A	79	38
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1	ZINC000852431395	DC	On-Demand	Anodyne	NPSR1	25	40
COC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)c(OC)c1	ZINC000852431396	GC	On-Demand	Anodyne	ABCB1	45	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1	ZINC000852431398	DC	On-Demand	Anodyne	SIGMAR1	23	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1	ZINC000852431398	DC	On-Demand	Anodyne	CCR5	16	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1	ZINC000852431398	DC	On-Demand	Anodyne	PDE11A	79	38
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1	ZINC000852431398	DC	On-Demand	Anodyne	NPSR1	25	40
CS(=O)(=O)c1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852431406	FD	On-Demand	Anodyne	HRH3	74	46
CS(=O)(=O)c1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852431408	FD	On-Demand	Anodyne	HRH3	74	46
C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431443	FF	On-Demand	Anodyne	CCR2	42	40
C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431447	FF	On-Demand	Anodyne	CCR2	42	40
NC(=O)COc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852431450	DC	On-Demand	Anodyne	LTA4H	30	51
O=C1OCCN1[C@H]1CCN(Cc2cnn(-c3ccccc3)c2)C1	ZINC000852431451	DD	On-Demand	Anodyne	DRD4	29	50
NC(=O)COc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852431452	DC	On-Demand	Anodyne	LTA4H	30	51
O=C1OCCN1[C@@H]1CCN(Cc2cnn(-c3ccccc3)c2)C1	ZINC000852431453	DD	On-Demand	Anodyne	DRD4	29	50
C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431466	EH	On-Demand	Anodyne	TACR2	41	33
C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431466	EH	On-Demand	Anodyne	TACR3	43	33
C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431467	EH	On-Demand	Anodyne	TACR2	41	33
C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431467	EH	On-Demand	Anodyne	TACR3	43	33
C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431468	EH	On-Demand	Anodyne	TACR2	41	33
C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431468	EH	On-Demand	Anodyne	TACR3	43	33
C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431469	EH	On-Demand	Anodyne	TACR2	41	33
C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431469	EH	On-Demand	Anodyne	TACR3	43	33
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(N2CCCC2=O)cc1	ZINC000852431498	GC	On-Demand	Anodyne	PDE11A	43	33
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(N2CCCC2=O)cc1	ZINC000852431499	GC	On-Demand	Anodyne	PDE11A	43	33
O=C1OCCN1[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	ZINC000852431504	DG	On-Demand	Anodyne	DRD4	44	45
O=C1OCCN1[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	ZINC000852431504	DG	On-Demand	Anodyne	LTA4H	17	51
O=C1OCCN1[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	ZINC000852431504	DG	On-Demand	Anodyne	SIGMAR1	51	43
O=C1OCCN1[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	ZINC000852431504	DG	On-Demand	Anodyne	AKT1	18	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	ZINC000852431505	DG	On-Demand	Anodyne	DRD4	44	45
O=C1OCCN1[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	ZINC000852431505	DG	On-Demand	Anodyne	LTA4H	17	51
O=C1OCCN1[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	ZINC000852431505	DG	On-Demand	Anodyne	SIGMAR1	51	43
O=C1OCCN1[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1	ZINC000852431505	DG	On-Demand	Anodyne	AKT1	18	40
Cc1ccccc1CN1CCN(C(=O)CN2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852431548	GD	On-Demand	Anodyne	DRD4	16	45
Cc1ccccc1CN1CCN(C(=O)CN2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852431549	GD	On-Demand	Anodyne	DRD4	16	45
O=C1OCCN1[C@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431563	EG	On-Demand	Anodyne	HTR1A	22	43
O=C1OCCN1[C@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431563	EG	On-Demand	Anodyne	HTR1B	18	40
O=C1OCCN1[C@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431563	EG	On-Demand	Anodyne	HTR2A	15	43
O=C1OCCN1[C@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431563	EG	On-Demand	Anodyne	HTR7	15	43
O=C1OCCN1[C@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431563	EG	On-Demand	Anodyne	NPY1R	42	35
O=C1OCCN1[C@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431563	EG	On-Demand	Anodyne	ALB	23	40
O=C1OCCN1[C@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431563	EG	On-Demand	Anodyne	PDE11A	58	31
O=C1OCCN1[C@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431563	EG	On-Demand	Anodyne	MCL1	40	45
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431564	EG	On-Demand	Anodyne	HTR1A	22	43
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431564	EG	On-Demand	Anodyne	HTR1B	18	40
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431564	EG	On-Demand	Anodyne	HTR2A	15	43
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431564	EG	On-Demand	Anodyne	HTR7	15	43
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431564	EG	On-Demand	Anodyne	NPY1R	42	35
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431564	EG	On-Demand	Anodyne	ALB	23	40
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431564	EG	On-Demand	Anodyne	PDE11A	58	31
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc3ccccc23)C1	ZINC000852431564	EG	On-Demand	Anodyne	MCL1	40	45
CSc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852431615	DE	On-Demand	Anodyne	LTA4H	42	51
CSc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852431616	DE	On-Demand	Anodyne	LTA4H	42	51
O=C1OCCN1[C@@H]1CCN(CCCc2nc(-c3cccs3)no2)C1	ZINC000852431647	EE	On-Demand	Anodyne	ETHR	31	40
O=C1OCCN1[C@H]1CCN(CCCc2nc(-c3cccs3)no2)C1	ZINC000852431648	EE	On-Demand	Anodyne	ETHR	31	40
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852431649	FG	On-Demand	Anodyne	SOAT1	50	39
CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852431650	FG	On-Demand	Anodyne	SOAT1	50	39
O=C(NC[C@@H](O)c1ccc(F)cc1)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852431651	GG	On-Demand	Anodyne	SCD	17	43
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC[C@@H](O)c1ccc(F)cc1	ZINC000852431652	GG	On-Demand	Anodyne	SCD	17	43
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NC[C@H](O)c1ccc(F)cc1	ZINC000852431653	GG	On-Demand	Anodyne	SCD	17	43
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC[C@H](O)c1ccc(F)cc1	ZINC000852431654	GG	On-Demand	Anodyne	SCD	17	43
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(Cl)c1	ZINC000852431655	EE	On-Demand	Anodyne	MCHR1	32	41
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(Cl)c1	ZINC000852431656	EE	On-Demand	Anodyne	MCHR1	32	41
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(F)cc1	ZINC000852431665	DD	On-Demand	Anodyne	HTR1F	20	44
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(F)cc1	ZINC000852431666	DD	On-Demand	Anodyne	HTR1F	20	44
CC(C)(C)CC(=O)NNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852431718	FF	On-Demand	Reactive	CACNA1I	76	41
CC(C)(C)CC(=O)NNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852431719	FF	On-Demand	Reactive	CACNA1I	76	41
N#Cc1c(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)sc2c1CCCC2	ZINC000852431728	GE	On-Demand	Mild	VIPR1	29	47
N#Cc1c(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)sc2c1CCCC2	ZINC000852431730	GE	On-Demand	Mild	VIPR1	29	47
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852431732	FB	On-Demand	Anodyne	CA2	22	53
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852431732	FB	On-Demand	Anodyne	CA1	16	45
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852431732	FB	On-Demand	Anodyne	CA4	23	53
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852431732	FB	On-Demand	Anodyne	CA5A	42	33
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852431732	FB	On-Demand	Anodyne	ST14	42	36
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852431734	FB	On-Demand	Anodyne	CA2	22	53
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852431734	FB	On-Demand	Anodyne	CA1	16	45
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852431734	FB	On-Demand	Anodyne	CA4	23	53
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852431734	FB	On-Demand	Anodyne	CA5A	42	33
NS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852431734	FB	On-Demand	Anodyne	ST14	42	36
O=C1OCCN1[C@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431751	EF	On-Demand	Anodyne	HTR1A	15	42
O=C1OCCN1[C@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431751	EF	On-Demand	Anodyne	LTA4H	19	50
O=C1OCCN1[C@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431751	EF	On-Demand	Anodyne	HTR7	17	42
O=C1OCCN1[C@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431751	EF	On-Demand	Anodyne	ALB	22	41
O=C1OCCN1[C@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431751	EF	On-Demand	Anodyne	PDE11A	59	31
O=C1OCCN1[C@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431751	EF	On-Demand	Anodyne	MCL1	42	45
O=C1OCCN1[C@@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431752	EF	On-Demand	Anodyne	HTR1A	15	42
O=C1OCCN1[C@@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431752	EF	On-Demand	Anodyne	LTA4H	19	50
O=C1OCCN1[C@@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431752	EF	On-Demand	Anodyne	HTR7	17	42
O=C1OCCN1[C@@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431752	EF	On-Demand	Anodyne	ALB	22	41
O=C1OCCN1[C@@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431752	EF	On-Demand	Anodyne	PDE11A	59	31
O=C1OCCN1[C@@H]1CCN(CCOc2cccc3ccccc23)C1	ZINC000852431752	EF	On-Demand	Anodyne	MCL1	42	45
Cc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852431761	CE	On-Demand	Anodyne	DRD4	35	48
Cc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852431762	CE	On-Demand	Anodyne	DRD4	35	48
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(F)c1	ZINC000852431763	DD	On-Demand	Anodyne	CCR3	42	36
CN(Cc1ccc(F)cc1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852431764	ED	On-Demand	Anodyne	WNT3A	42	36
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(F)c1	ZINC000852431765	DD	On-Demand	Anodyne	CCR3	42	36
CN(Cc1ccc(F)cc1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852431766	ED	On-Demand	Anodyne	WNT3A	42	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(F)c1	ZINC000852431795	DD	On-Demand	Anodyne	CCR3	41	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(F)c1	ZINC000852431795	DD	On-Demand	Anodyne	NPY5R	18	50
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(F)c1	ZINC000852431796	DD	On-Demand	Anodyne	CCR3	41	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(F)c1	ZINC000852431796	DD	On-Demand	Anodyne	NPY5R	18	50
Cc1ccccc1[C@@H](O)CNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852431805	GH	On-Demand	Anodyne	CACNA1I	50	35
Cc1ccccc1[C@H](O)CNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852431806	GH	On-Demand	Anodyne	CACNA1I	50	35
Cc1ccccc1[C@H](O)CNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852431807	GH	On-Demand	Anodyne	CACNA1I	50	35
Cc1ccccc1[C@@H](O)CNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852431808	GH	On-Demand	Anodyne	CACNA1I	50	35
N#Cc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852431825	CD	On-Demand	Mild	DRD4	18	49
N#Cc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852431825	CD	On-Demand	Mild	CCR3	15	42
N#Cc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852431826	CD	On-Demand	Mild	DRD4	18	49
N#Cc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852431826	CD	On-Demand	Mild	CCR3	15	42
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431873	EG	On-Demand	Anodyne	DRD2	17	42
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431873	EG	On-Demand	Anodyne	HTR2A	18	43
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431873	EG	On-Demand	Anodyne	KCNH2	18	42
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431873	EG	On-Demand	Anodyne	LTA4H	33	51
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431873	EG	On-Demand	Anodyne	HRH3	92	40
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431873	EG	On-Demand	Anodyne	SIGMAR1	25	41
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431873	EG	On-Demand	Anodyne	MEN1	43	34
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431874	EG	On-Demand	Anodyne	DRD2	17	42
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431874	EG	On-Demand	Anodyne	HTR2A	18	43
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431874	EG	On-Demand	Anodyne	KCNH2	18	42
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431874	EG	On-Demand	Anodyne	LTA4H	33	51
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431874	EG	On-Demand	Anodyne	HRH3	92	40
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431874	EG	On-Demand	Anodyne	SIGMAR1	25	41
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3ccccc3c2)C1	ZINC000852431874	EG	On-Demand	Anodyne	MEN1	43	34
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431881	GI	On-Demand	Anodyne	TACR1	64	40
C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431882	GI	On-Demand	Anodyne	TACR1	64	40
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852431883	GI	On-Demand	Anodyne	TACR1	64	40
C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852431884	GI	On-Demand	Anodyne	TACR1	64	40
O=C1OCCN1[C@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431918	DF	On-Demand	Anodyne	LTA4H	15	45
O=C1OCCN1[C@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431918	DF	On-Demand	Anodyne	HRH3	65	48
O=C1OCCN1[C@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431918	DF	On-Demand	Anodyne	SIGMAR1	18	42
O=C1OCCN1[C@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431918	DF	On-Demand	Anodyne	CHRNA10	19	41
O=C1OCCN1[C@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431918	DF	On-Demand	Anodyne	MEN1	38	40
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431919	DF	On-Demand	Anodyne	LTA4H	15	45
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431919	DF	On-Demand	Anodyne	HRH3	65	48
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431919	DF	On-Demand	Anodyne	SIGMAR1	18	42
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431919	DF	On-Demand	Anodyne	CHRNA10	19	41
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc(Cl)c2)C1	ZINC000852431919	DF	On-Demand	Anodyne	MEN1	38	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)nc2)C1	ZINC000852431931	CD	On-Demand	Anodyne	NACHRBETA2	41	38
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)nc2)C1	ZINC000852431934	CD	On-Demand	Anodyne	NACHRBETA2	41	38
O=C1OCCN1[C@H]1CCN(CCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852431941	FG	On-Demand	Anodyne	HRH3	45	42
O=C1OCCN1[C@H]1CCN(CCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852431941	FG	On-Demand	Anodyne	GALR3	57	41
O=C1OCCN1[C@H]1CCN(CCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852431941	FG	On-Demand	Anodyne	MEN1	41	36
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852431943	FG	On-Demand	Anodyne	HRH3	45	42
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852431943	FG	On-Demand	Anodyne	GALR3	57	41
O=C1OCCN1[C@@H]1CCN(CCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852431943	FG	On-Demand	Anodyne	MEN1	41	36
NC(=O)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852431947	CC	On-Demand	Anodyne	LTA4H	16	45
NC(=O)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852431949	CC	On-Demand	Anodyne	LTA4H	16	45
O=C1OCCN1[C@H]1CCN(CCOC(c2ccccc2)c2ccccc2)C1	ZINC000852431978	FG	On-Demand	Anodyne	SLC6A4	28	52
O=C1OCCN1[C@H]1CCN(CCOC(c2ccccc2)c2ccccc2)C1	ZINC000852431978	FG	On-Demand	Anodyne	SLC6A3	78	59
O=C1OCCN1[C@@H]1CCN(CCOC(c2ccccc2)c2ccccc2)C1	ZINC000852431981	FG	On-Demand	Anodyne	SLC6A4	28	52
O=C1OCCN1[C@@H]1CCN(CCOC(c2ccccc2)c2ccccc2)C1	ZINC000852431981	FG	On-Demand	Anodyne	SLC6A3	78	59
CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852432015	ED	On-Demand	Anodyne	OPRD1	15	42
CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852432015	ED	On-Demand	Anodyne	CCR5	66	36
CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852432015	ED	On-Demand	Anodyne	PDE11A	55	35
CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852432015	ED	On-Demand	Anodyne	WNT3A	42	38
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432016	ED	On-Demand	Anodyne	BDKRB1	61	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432016	ED	On-Demand	Anodyne	XIAP	21	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432016	ED	On-Demand	Anodyne	BIRC3	37	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432016	ED	On-Demand	Anodyne	BIRC2	28	41
CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432017	ED	On-Demand	Anodyne	OPRD1	15	42
CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432017	ED	On-Demand	Anodyne	CCR5	66	36
CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432017	ED	On-Demand	Anodyne	PDE11A	55	35
CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432017	ED	On-Demand	Anodyne	WNT3A	42	38
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432018	ED	On-Demand	Anodyne	BDKRB1	61	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432018	ED	On-Demand	Anodyne	XIAP	21	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432018	ED	On-Demand	Anodyne	BIRC3	37	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432018	ED	On-Demand	Anodyne	BIRC2	28	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432020	ED	On-Demand	Anodyne	BDKRB1	61	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432020	ED	On-Demand	Anodyne	XIAP	21	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432020	ED	On-Demand	Anodyne	BIRC3	37	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432020	ED	On-Demand	Anodyne	BIRC2	28	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432022	ED	On-Demand	Anodyne	BDKRB1	61	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432022	ED	On-Demand	Anodyne	XIAP	21	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432022	ED	On-Demand	Anodyne	BIRC3	37	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432022	ED	On-Demand	Anodyne	BIRC2	28	41
COC(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432023	DD	On-Demand	Anodyne	CHRM3	24	41
COC(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432023	DD	On-Demand	Anodyne	SIGMAR1	22	40
COC(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432023	DD	On-Demand	Anodyne	MCHR1	21	40
COC(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432025	DD	On-Demand	Anodyne	CHRM3	24	41
COC(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432025	DD	On-Demand	Anodyne	SIGMAR1	22	40
COC(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432025	DD	On-Demand	Anodyne	MCHR1	21	40
N#Cc1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432040	DD	On-Demand	Mild	LTA4H	15	46
N#Cc1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432040	DD	On-Demand	Mild	HRH3	73	54
N#Cc1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432040	DD	On-Demand	Mild	MEN1	52	45
N#Cc1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432042	DD	On-Demand	Mild	LTA4H	15	46
N#Cc1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432042	DD	On-Demand	Mild	HRH3	73	54
N#Cc1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432042	DD	On-Demand	Mild	MEN1	52	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)c1cccs1	ZINC000852432047	GE	On-Demand	Anodyne	BIRC8	57	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)c1cccs1	ZINC000852432049	GE	On-Demand	Anodyne	BIRC8	57	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)c1cccs1	ZINC000852432051	GE	On-Demand	Anodyne	BIRC8	57	35
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1	ZINC000852432052	DD	On-Demand	Anodyne	LTA4H	23	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)c1cccs1	ZINC000852432053	GE	On-Demand	Anodyne	BIRC8	57	35
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1	ZINC000852432054	DD	On-Demand	Anodyne	LTA4H	23	40
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NC[C@H](O)c1ccccc1	ZINC000852432056	FG	On-Demand	Anodyne	SCD1	18	43
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NC[C@H](O)c1ccccc1	ZINC000852432056	FG	On-Demand	Anodyne	SCD	25	43
O=C(NC[C@@H](O)c1ccccc1)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852432058	FG	On-Demand	Anodyne	SCD1	18	43
O=C(NC[C@@H](O)c1ccccc1)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852432058	FG	On-Demand	Anodyne	SCD	25	43
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC[C@@H](O)c1ccccc1	ZINC000852432061	FG	On-Demand	Anodyne	SCD1	18	43
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC[C@@H](O)c1ccccc1	ZINC000852432061	FG	On-Demand	Anodyne	SCD	25	43
C[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(Cl)cc1	ZINC000852432062	FE	On-Demand	Anodyne	PRCP	31	47
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC[C@H](O)c1ccccc1	ZINC000852432063	FG	On-Demand	Anodyne	SCD1	18	43
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NC[C@H](O)c1ccccc1	ZINC000852432063	FG	On-Demand	Anodyne	SCD	25	43
C[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Cl)cc1	ZINC000852432064	FE	On-Demand	Anodyne	PRCP	31	47
C[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Cl)cc1	ZINC000852432066	FE	On-Demand	Anodyne	PRCP	31	47
C[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(Cl)cc1	ZINC000852432067	FE	On-Demand	Anodyne	PRCP	31	47
O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)NNc1ccccn1	ZINC000852432075	EF	On-Demand	Reactive	GRIN2B	15	41
O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)NNc1ccccn1	ZINC000852432077	EF	On-Demand	Reactive	GRIN2B	15	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCC1(c2ccccc2)CC1	ZINC000852432079	ED	On-Demand	Anodyne	KCNA3	43	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCC1(c2ccccc2)CC1	ZINC000852432081	ED	On-Demand	Anodyne	KCNA3	43	36
C[C@H](NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccc(Cl)cc1	ZINC000852432115	FE	On-Demand	Anodyne	PRCP	18	41
C[C@H](NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccc(Cl)cc1	ZINC000852432117	FE	On-Demand	Anodyne	PRCP	18	41
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1	ZINC000852432183	FG	On-Demand	Anodyne	LTA4H	85	61
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1	ZINC000852432183	FG	On-Demand	Anodyne	HRH3	31	42
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1	ZINC000852432183	FG	On-Demand	Anodyne	PSMB1	40	37
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1	ZINC000852432184	FG	On-Demand	Anodyne	LTA4H	85	61
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1	ZINC000852432184	FG	On-Demand	Anodyne	HRH3	31	42
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Oc3ccccc3)cc2)C1	ZINC000852432184	FG	On-Demand	Anodyne	PSMB1	40	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)cc1	ZINC000852432203	DD	On-Demand	Anodyne	NPY5R	15	59
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)cc1	ZINC000852432204	DD	On-Demand	Anodyne	NPY5R	15	59
O=C1OCCN1[C@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432205	DE	On-Demand	Anodyne	HTR1A	15	41
O=C1OCCN1[C@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432205	DE	On-Demand	Anodyne	DRD2	18	43
O=C1OCCN1[C@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432205	DE	On-Demand	Anodyne	HTR2A	15	41
O=C1OCCN1[C@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432205	DE	On-Demand	Anodyne	HRH1	15	40
O=C1OCCN1[C@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432205	DE	On-Demand	Anodyne	CHRM3	20	45
O=C1OCCN1[C@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432205	DE	On-Demand	Anodyne	LTA4H	37	51
O=C1OCCN1[C@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432205	DE	On-Demand	Anodyne	HRH3	58	50
O=C1OCCN1[C@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432205	DE	On-Demand	Anodyne	SIGMAR1	27	43
O=C1OCCN1[C@@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432206	DE	On-Demand	Anodyne	HTR1A	15	41
O=C1OCCN1[C@@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432206	DE	On-Demand	Anodyne	DRD2	18	43
O=C1OCCN1[C@@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432206	DE	On-Demand	Anodyne	HTR2A	15	41
O=C1OCCN1[C@@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432206	DE	On-Demand	Anodyne	HRH1	15	40
O=C1OCCN1[C@@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432206	DE	On-Demand	Anodyne	CHRM3	20	45
O=C1OCCN1[C@@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432206	DE	On-Demand	Anodyne	LTA4H	37	51
O=C1OCCN1[C@@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432206	DE	On-Demand	Anodyne	HRH3	58	50
O=C1OCCN1[C@@H]1CCN(CCCCOc2ccccc2)C1	ZINC000852432206	DE	On-Demand	Anodyne	SIGMAR1	27	43
O=C1OCCN1[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000852432207	DD	On-Demand	Bother	LUXR	16	41
O=C1OCCN1[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000852432207	DD	On-Demand	Bother	KCNJ1	59	55
O=C1OCCN1[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000852432208	DD	On-Demand	Bother	LUXR	16	41
O=C1OCCN1[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000852432208	DD	On-Demand	Bother	KCNJ1	59	55
N#Cc1cccc(CNC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432215	EC	On-Demand	Mild	CCR3	19	41
N#Cc1cccc(CNC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432215	EC	On-Demand	Mild	MCHR1	28	40
N#Cc1cccc(CNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432216	EC	On-Demand	Mild	CCR3	19	41
N#Cc1cccc(CNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432216	EC	On-Demand	Mild	MCHR1	28	40
CN(CCN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852432225	CD	On-Demand	Anodyne	PDE11A	60	32
CN(CCN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852432226	CD	On-Demand	Anodyne	PDE11A	60	32
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852432237	EF	On-Demand	Anodyne	LTA4H	43	51
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852432237	EF	On-Demand	Anodyne	SLC6A5	30	40
O=C1OCCN1[C@H]1CCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852432238	EF	On-Demand	Anodyne	LTA4H	43	51
O=C1OCCN1[C@H]1CCN(CCOc2ccc(C(F)(F)F)cc2)C1	ZINC000852432238	EF	On-Demand	Anodyne	SLC6A5	30	40
Cc1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)c(C)c1	ZINC000852432263	ED	On-Demand	Anodyne	ABCB1	49	41
Cc1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)c(C)c1	ZINC000852432264	ED	On-Demand	Anodyne	ABCB1	49	41
Cc1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)c(C)c1	ZINC000852432265	ED	On-Demand	Anodyne	ABCB1	49	41
Cc1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)c(C)c1	ZINC000852432266	ED	On-Demand	Anodyne	ABCB1	49	41
CCOC(=O)CN(C(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852432267	GD	On-Demand	Anodyne	CCR5	17	41
CCOC(=O)CN(C(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852432268	GD	On-Demand	Anodyne	CCR5	17	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432281	FD	On-Demand	Anodyne	CHRM2	19	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432281	FD	On-Demand	Anodyne	GRIN2B	75	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432281	FD	On-Demand	Anodyne	SIGMAR1	22	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432281	FD	On-Demand	Anodyne	CCR3	39	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432281	FD	On-Demand	Anodyne	CCR5	15	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432281	FD	On-Demand	Anodyne	GRIN2C	23	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432282	FD	On-Demand	Anodyne	CHRM2	19	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432282	FD	On-Demand	Anodyne	GRIN2B	75	46
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432282	FD	On-Demand	Anodyne	SIGMAR1	22	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432282	FD	On-Demand	Anodyne	CCR3	39	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432282	FD	On-Demand	Anodyne	CCR5	15	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCC(Cc2ccccc2)CC1	ZINC000852432282	FD	On-Demand	Anodyne	GRIN2C	23	40
O=C1OCCN1[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000852432291	CD	On-Demand	Bother	LUXR	17	44
O=C1OCCN1[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000852432292	CD	On-Demand	Bother	LUXR	17	44
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852432297	FE	On-Demand	Anodyne	ADRB2	17	49
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852432297	FE	On-Demand	Anodyne	ADRB1	16	49
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852432297	FE	On-Demand	Anodyne	ABCB1	65	44
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852432298	FE	On-Demand	Anodyne	ADRB2	17	49
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852432298	FE	On-Demand	Anodyne	ADRB1	16	49
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cccc3ccccc23)C1	ZINC000852432298	FE	On-Demand	Anodyne	ABCB1	65	44
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852432299	FE	On-Demand	Anodyne	ADRB2	17	49
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852432299	FE	On-Demand	Anodyne	ADRB1	16	49
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852432299	FE	On-Demand	Anodyne	ABCB1	65	44
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852432300	FE	On-Demand	Anodyne	ADRB2	17	49
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852432300	FE	On-Demand	Anodyne	ADRB1	16	49
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cccc3ccccc23)C1	ZINC000852432300	FE	On-Demand	Anodyne	ABCB1	65	44
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000852432301	GE	On-Demand	Anodyne	CCR1	42	40
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000852432302	GE	On-Demand	Anodyne	CCR1	42	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000852432304	GE	On-Demand	Anodyne	CCR1	42	40
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000852432306	GE	On-Demand	Anodyne	CCR1	42	40
NC(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432333	CC	On-Demand	Anodyne	KCNH2	42	40
NC(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432333	CC	On-Demand	Anodyne	F10	15	48
NC(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432333	CC	On-Demand	Anodyne	CHRM3	17	40
CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852432334	GD	On-Demand	Anodyne	PDE11A	56	35
NC(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432335	CC	On-Demand	Anodyne	KCNH2	42	40
NC(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432335	CC	On-Demand	Anodyne	F10	15	48
NC(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432335	CC	On-Demand	Anodyne	CHRM3	17	40
CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432336	GD	On-Demand	Anodyne	PDE11A	56	35
C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852432339	EE	On-Demand	Anodyne	ETHR	31	44
C[C@H](c1nc(-c2cccs2)no1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852432341	EE	On-Demand	Anodyne	ETHR	31	44
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432356	GE	On-Demand	Anodyne	HRH1	28	50
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432356	GE	On-Demand	Anodyne	ACOX1	74	37
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432356	GE	On-Demand	Anodyne	CCR3	33	50
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432358	GE	On-Demand	Anodyne	HRH1	28	50
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432358	GE	On-Demand	Anodyne	ACOX1	74	37
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432358	GE	On-Demand	Anodyne	CCR3	33	50
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432360	GE	On-Demand	Anodyne	HRH1	28	50
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432360	GE	On-Demand	Anodyne	ACOX1	74	37
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432360	GE	On-Demand	Anodyne	CCR3	33	50
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432362	GE	On-Demand	Anodyne	HRH1	28	50
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432362	GE	On-Demand	Anodyne	ACOX1	74	37
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1	ZINC000852432362	GE	On-Demand	Anodyne	CCR3	33	50
Cc1cccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432371	DD	On-Demand	Anodyne	CCKAR	18	42
Cc1cccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432371	DD	On-Demand	Anodyne	KCNK3	50	35
Cc1cccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432371	DD	On-Demand	Anodyne	KCNK9	40	34
Cc1cccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432373	DD	On-Demand	Anodyne	CCKAR	18	42
Cc1cccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432373	DD	On-Demand	Anodyne	KCNK3	50	35
Cc1cccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432373	DD	On-Demand	Anodyne	KCNK9	40	34
Cc1cccc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432375	DD	On-Demand	Anodyne	CCKAR	18	42
Cc1cccc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432375	DD	On-Demand	Anodyne	KCNK3	50	35
Cc1cccc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432375	DD	On-Demand	Anodyne	KCNK9	40	34
Cc1cccc(NC(=O)[C@H](C)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432377	DD	On-Demand	Anodyne	CCKAR	18	42
Cc1cccc(NC(=O)[C@H](C)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432377	DD	On-Demand	Anodyne	KCNK3	50	35
Cc1cccc(NC(=O)[C@H](C)N2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432377	DD	On-Demand	Anodyne	KCNK9	40	34
COc1ccccc1CNC(=O)[C@H](C)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852432399	ED	On-Demand	Anodyne	TACR1	17	41
COc1ccccc1CNC(=O)[C@H](C)N1CC[C@H](N2CCOC2=O)C1	ZINC000852432402	ED	On-Demand	Anodyne	TACR1	17	41
CC(C)(C)N(Cc1ccccc1)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852432421	FE	On-Demand	Anodyne	CCR5	17	43
CC(C)(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432422	FE	On-Demand	Anodyne	CCR5	17	43
CCCCC[C@@H](C)NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852432468	DD	On-Demand	Anodyne	LASR	46	36
CCCCC[C@@H](C)NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432470	DD	On-Demand	Anodyne	LASR	46	36
O=C1OCCN1[C@@H]1CCN(Cc2cc3c(cc2Br)OCO3)C1	ZINC000852432471	FE	On-Demand	Anodyne	PDE11A	54	35
O=C1OCCN1[C@H]1CCN(Cc2cc3c(cc2Br)OCO3)C1	ZINC000852432472	FE	On-Demand	Anodyne	PDE11A	54	35
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852432485	DG	On-Demand	Anodyne	DRD4	26	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852432485	DG	On-Demand	Anodyne	SIGMAR1	26	45
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852432485	DG	On-Demand	Anodyne	CCR3	24	44
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852432485	DG	On-Demand	Anodyne	CXCR3	28	40
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852432486	DG	On-Demand	Anodyne	DRD4	26	40
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852432486	DG	On-Demand	Anodyne	SIGMAR1	26	45
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852432486	DG	On-Demand	Anodyne	CCR3	24	44
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1	ZINC000852432486	DG	On-Demand	Anodyne	CXCR3	28	40
C#CCN(CC(=O)OC(C)(C)C)C[C@H](O)COc1ccccc1	ZINC000852432495	DD	On-Demand	Mild	ABCB1	15	42
C#CCN(CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccccc1	ZINC000852432496	DD	On-Demand	Mild	ABCB1	15	42
C[C@H]1CCc2ccccc2N1C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432512	ED	On-Demand	Anodyne	DRD4	26	42
C[C@H]1CCc2ccccc2N1C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852432513	ED	On-Demand	Anodyne	DRD4	26	42
O=C1OCCN1[C@H]1CCN(CCc2ccc3c(c2)CCO3)C1	ZINC000852432574	DD	On-Demand	Anodyne	PDE11A	47	33
O=C1OCCN1[C@H]1CCN(CCc2ccc3c(c2)CCO3)C1	ZINC000852432574	DD	On-Demand	Anodyne	KCNJ1	47	40
O=C1OCCN1[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1	ZINC000852432576	DD	On-Demand	Anodyne	PDE11A	47	33
O=C1OCCN1[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1	ZINC000852432576	DD	On-Demand	Anodyne	KCNJ1	47	40
CCOc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432591	DD	On-Demand	Anodyne	LTA4H	51	54
CCOc1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432591	DD	On-Demand	Anodyne	PSMB1	40	35
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C1	ZINC000852432594	FF	On-Demand	Anodyne	LTA4H	28	52
CCOc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432595	DD	On-Demand	Anodyne	LTA4H	51	54
CCOc1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432595	DD	On-Demand	Anodyne	PSMB1	40	35
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccn3)cc2)C1	ZINC000852432596	FF	On-Demand	Anodyne	LTA4H	28	52
CN(C)C(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432603	DD	On-Demand	Anodyne	ACHE	15	41
CN(C)C(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852432603	DD	On-Demand	Anodyne	PDE11A	44	34
CN(C)C(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432605	DD	On-Demand	Anodyne	ACHE	15	41
CN(C)C(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852432605	DD	On-Demand	Anodyne	PDE11A	44	34
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852432607	GD	On-Demand	Anodyne	HTR1A	18	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852432607	GD	On-Demand	Anodyne	MAPK1	24	55
O=C1OCCN1[C@@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C1	ZINC000852432609	FD	On-Demand	Anodyne	PDE11A	57	36
O=C1OCCN1[C@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C1	ZINC000852432610	FD	On-Demand	Anodyne	PDE11A	57	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852432611	GD	On-Demand	Anodyne	HTR1A	18	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852432611	GD	On-Demand	Anodyne	MAPK1	24	55
C[C@@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852432621	CD	On-Demand	Anodyne	CYP2J2	48	36
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1	ZINC000852432670	EF	On-Demand	Mild	FPR1	42	37
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1	ZINC000852432674	EF	On-Demand	Mild	FPR1	42	37
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@H](C)c1ccccc1	ZINC000852432678	EF	On-Demand	Mild	FPR1	42	37
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1	ZINC000852432679	EF	On-Demand	Mild	FPR1	42	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NC1C2CC3CC(C2)CC1C3	ZINC000852432680	ED	On-Demand	Anodyne	HSD11B1	42	32
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1	ZINC000852432693	DD	On-Demand	Bother	LTA4H	17	49
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1	ZINC000852432694	DD	On-Demand	Bother	LTA4H	17	49
COc1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432711	DD	On-Demand	Anodyne	SLC6A4	15	41
COc1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432711	DD	On-Demand	Anodyne	LTA4H	24	50
COc1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432711	DD	On-Demand	Anodyne	HRH3	94	44
COc1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432711	DD	On-Demand	Anodyne	SIGMAR1	28	43
COc1ccc(OCCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852432711	DD	On-Demand	Anodyne	EBP	36	43
COc1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432712	DD	On-Demand	Anodyne	SLC6A4	15	41
COc1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432712	DD	On-Demand	Anodyne	LTA4H	24	50
COc1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432712	DD	On-Demand	Anodyne	HRH3	94	44
COc1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432712	DD	On-Demand	Anodyne	SIGMAR1	28	43
COc1ccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852432712	DD	On-Demand	Anodyne	EBP	36	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432727	FC	On-Demand	Anodyne	CHRM2	19	50
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432727	FC	On-Demand	Anodyne	DRD4	54	39
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432727	FC	On-Demand	Anodyne	CHRM3	18	50
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432727	FC	On-Demand	Anodyne	LTA4H	20	48
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432727	FC	On-Demand	Anodyne	SIGMAR1	55	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432728	FC	On-Demand	Anodyne	CHRM2	19	50
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432728	FC	On-Demand	Anodyne	DRD4	54	39
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432728	FC	On-Demand	Anodyne	CHRM3	18	50
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432728	FC	On-Demand	Anodyne	LTA4H	20	48
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1	ZINC000852432728	FC	On-Demand	Anodyne	SIGMAR1	55	44
N#CCCn1cc(C(=O)CN2CC[C@H](N3CCOC3=O)C2)c2ccccc21	ZINC000852432747	FE	On-Demand	Mild	CNR1	15	48
N#CCCn1cc(C(=O)CN2CC[C@H](N3CCOC3=O)C2)c2ccccc21	ZINC000852432747	FE	On-Demand	Mild	CNR2	18	48
N#CCCn1cc(C(=O)CN2CC[C@@H](N3CCOC3=O)C2)c2ccccc21	ZINC000852432748	FE	On-Demand	Mild	CNR1	15	48
N#CCCn1cc(C(=O)CN2CC[C@@H](N3CCOC3=O)C2)c2ccccc21	ZINC000852432748	FE	On-Demand	Mild	CNR2	18	48
O=C1c2ccccc2C(=O)N1CCCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852432759	FD	On-Demand	Anodyne	HTR1A	16	49
O=C1c2ccccc2C(=O)N1CCCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432760	FD	On-Demand	Anodyne	HTR1A	16	49
O=C1OCCN1[C@H]1CCN(CCCCCn2nnc(-c3ccccc3)n2)C1	ZINC000852432807	FE	On-Demand	Anodyne	PDE11A	58	30
O=C1OCCN1[C@@H]1CCN(CCCCCn2nnc(-c3ccccc3)n2)C1	ZINC000852432808	FE	On-Demand	Anodyne	PDE11A	58	30
O=C1OCCN1[C@@H]1CCN(CCc2ccccc2Cl)C1	ZINC000852432831	CE	On-Demand	Anodyne	PDE11A	42	31
O=C1OCCN1[C@H]1CCN(CCc2ccccc2Cl)C1	ZINC000852432832	CE	On-Demand	Anodyne	PDE11A	42	31
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1	ZINC000852432835	FF	On-Demand	Anodyne	LTA4H	19	50
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1	ZINC000852432835	FF	On-Demand	Anodyne	HRH3	17	42
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1	ZINC000852432836	FF	On-Demand	Anodyne	LTA4H	19	50
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccncc3)cc2)C1	ZINC000852432836	FF	On-Demand	Anodyne	HRH3	17	42
CCOc1ccccc1OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852432839	DD	On-Demand	Anodyne	LTA4H	24	49
CCOc1ccccc1OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852432839	DD	On-Demand	Anodyne	HTR7	17	44
CCOc1ccccc1OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432840	DD	On-Demand	Anodyne	LTA4H	24	49
CCOc1ccccc1OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852432840	DD	On-Demand	Anodyne	HTR7	17	44
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432889	FE	On-Demand	Anodyne	HTR7	17	51
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432889	FE	On-Demand	Anodyne	BDKRB1	52	38
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432890	FE	On-Demand	Anodyne	HTR7	17	51
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432890	FE	On-Demand	Anodyne	BDKRB1	52	38
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432891	FE	On-Demand	Anodyne	HTR7	17	51
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCCc2ccccc21	ZINC000852432891	FE	On-Demand	Anodyne	BDKRB1	52	38
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432892	FE	On-Demand	Anodyne	HTR7	17	51
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCCc2ccccc21	ZINC000852432892	FE	On-Demand	Anodyne	BDKRB1	52	38
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852432915	FE	On-Demand	Anodyne	CCR2	59	46
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852432915	FE	On-Demand	Anodyne	EPHX2	17	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852432915	FE	On-Demand	Anodyne	MCHR1	20	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852432916	FE	On-Demand	Anodyne	CCR2	59	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852432916	FE	On-Demand	Anodyne	EPHX2	17	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852432916	FE	On-Demand	Anodyne	MCHR1	20	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cc(F)ccc1F	ZINC000852432937	ED	On-Demand	Anodyne	NPY5R	15	49
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cc(F)ccc1F	ZINC000852432938	ED	On-Demand	Anodyne	NPY5R	15	49
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432941	DE	On-Demand	Anodyne	DRD2	24	52
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432941	DE	On-Demand	Anodyne	HTR2A	22	52
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432941	DE	On-Demand	Anodyne	KCNH2	16	52
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432941	DE	On-Demand	Anodyne	LTA4H	21	48
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432941	DE	On-Demand	Anodyne	HRH3	86	44
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432941	DE	On-Demand	Anodyne	SIGMAR1	20	43
O=C1OCCN1[C@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432941	DE	On-Demand	Anodyne	MEN1	43	37
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432942	DE	On-Demand	Anodyne	DRD2	24	52
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432942	DE	On-Demand	Anodyne	HTR2A	22	52
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432942	DE	On-Demand	Anodyne	KCNH2	16	52
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432942	DE	On-Demand	Anodyne	LTA4H	21	48
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432942	DE	On-Demand	Anodyne	HRH3	86	44
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432942	DE	On-Demand	Anodyne	SIGMAR1	20	43
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1	ZINC000852432942	DE	On-Demand	Anodyne	MEN1	43	37
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NC(=O)NCc1ccccc1	ZINC000852432951	FC	On-Demand	Anodyne	PDE11A	59	38
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NC(=O)NCc1ccccc1	ZINC000852432952	FC	On-Demand	Anodyne	PDE11A	59	38
O=C(c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1)N1CCCCC1	ZINC000852432953	FE	On-Demand	Anodyne	L3MBTL3	79	44
O=C(c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1)N1CCCCC1	ZINC000852432954	FE	On-Demand	Anodyne	L3MBTL3	79	44
O=C1OCCN1[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1	ZINC000852432979	DD	On-Demand	Bother	LTA4H	22	53
O=C1OCCN1[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1	ZINC000852432980	DD	On-Demand	Bother	LTA4H	22	53
O=C1OCCN1[C@@H]1CCN(CCc2ccc3ccccc3c2)C1	ZINC000852432999	DF	On-Demand	Anodyne	PDE11A	54	34
O=C1OCCN1[C@@H]1CCN(CCc2ccc3ccccc3c2)C1	ZINC000852432999	DF	On-Demand	Anodyne	KCNJ1	43	37
O=C1OCCN1[C@H]1CCN(CCc2ccc3ccccc3c2)C1	ZINC000852433000	DF	On-Demand	Anodyne	PDE11A	54	34
O=C1OCCN1[C@H]1CCN(CCc2ccc3ccccc3c2)C1	ZINC000852433000	DF	On-Demand	Anodyne	KCNJ1	43	37
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N1CCN(c2ccccn2)CC1	ZINC000852433007	FC	On-Demand	Anodyne	DRD4	29	41
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N1CCN(c2ccccn2)CC1	ZINC000852433008	FC	On-Demand	Anodyne	DRD4	29	41
O=C1OCCN1[C@@H]1CCN(CCCc2cccc3ccccc23)C1	ZINC000852433049	DG	On-Demand	Anodyne	SIGMAR1	16	50
O=C1OCCN1[C@@H]1CCN(CCCc2cccc3ccccc23)C1	ZINC000852433049	DG	On-Demand	Anodyne	EBP	41	41
O=C1OCCN1[C@@H]1CCN(CCCc2cccc3ccccc23)C1	ZINC000852433049	DG	On-Demand	Anodyne	PDE11A	57	36
O=C1OCCN1[C@H]1CCN(CCCc2cccc3ccccc23)C1	ZINC000852433050	DG	On-Demand	Anodyne	SIGMAR1	16	50
O=C1OCCN1[C@H]1CCN(CCCc2cccc3ccccc23)C1	ZINC000852433050	DG	On-Demand	Anodyne	EBP	41	41
O=C1OCCN1[C@H]1CCN(CCCc2cccc3ccccc23)C1	ZINC000852433050	DG	On-Demand	Anodyne	PDE11A	57	36
O=C1OCCN1[C@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1	ZINC000852433057	FG	On-Demand	Anodyne	DRD4	29	41
O=C1OCCN1[C@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1	ZINC000852433057	FG	On-Demand	Anodyne	LTA4H	17	45
O=C1OCCN1[C@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1	ZINC000852433057	FG	On-Demand	Anodyne	SLC18A3	15	41
O=C1OCCN1[C@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1	ZINC000852433057	FG	On-Demand	Anodyne	MCHR1	20	41
O=C1OCCN1[C@@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1	ZINC000852433058	FG	On-Demand	Anodyne	DRD4	29	41
O=C1OCCN1[C@@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1	ZINC000852433058	FG	On-Demand	Anodyne	LTA4H	17	45
O=C1OCCN1[C@@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1	ZINC000852433058	FG	On-Demand	Anodyne	SLC18A3	15	41
O=C1OCCN1[C@@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1	ZINC000852433058	FG	On-Demand	Anodyne	MCHR1	20	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCC1(c2ccccc2)CCOCC1	ZINC000852433059	GD	On-Demand	Anodyne	KCNA3	41	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCC1(c2ccccc2)CCOCC1	ZINC000852433060	GD	On-Demand	Anodyne	KCNA3	41	36
COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852433061	FC	On-Demand	Anodyne	ABCB1	58	38
COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852433062	FC	On-Demand	Anodyne	ABCB1	58	38
COc1cccc(OC)c1OC[C@H](O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852433063	FC	On-Demand	Anodyne	ABCB1	58	38
COc1cccc(OC)c1OC[C@H](O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852433064	FC	On-Demand	Anodyne	ABCB1	58	38
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433073	ED	On-Demand	Anodyne	KCNH2	19	49
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433073	ED	On-Demand	Anodyne	EDNRA	20	40
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433073	ED	On-Demand	Anodyne	HRH3	68	49
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433073	ED	On-Demand	Anodyne	SIGMAR1	15	42
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433073	ED	On-Demand	Anodyne	PDE11A	61	41
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433074	ED	On-Demand	Anodyne	KCNH2	19	49
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433074	ED	On-Demand	Anodyne	EDNRA	20	40
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433074	ED	On-Demand	Anodyne	HRH3	68	49
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433074	ED	On-Demand	Anodyne	SIGMAR1	15	42
O=C1OCCN1[C@H]1CCN(CCCOc2ccc3c(c2)OCO3)C1	ZINC000852433074	ED	On-Demand	Anodyne	PDE11A	61	41
O=C1OCCN1[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852433103	ED	On-Demand	Bother	LTA4H	15	46
O=C1OCCN1[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852433103	ED	On-Demand	Bother	HRH3	63	46
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852433104	ED	On-Demand	Bother	LTA4H	15	46
O=C1OCCN1[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852433104	ED	On-Demand	Bother	HRH3	63	46
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCC1(c2ccccc2)CCCC1	ZINC000852433109	FE	On-Demand	Anodyne	KCNA3	43	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCC1(c2ccccc2)CCCC1	ZINC000852433110	FE	On-Demand	Anodyne	KCNA3	43	35
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1	ZINC000852433151	EF	On-Demand	Anodyne	LTA4H	18	49
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2)C1	ZINC000852433152	EF	On-Demand	Anodyne	LTA4H	18	49
O=C1OCCN1[C@H]1CCN(C[C@H](O)c2ccccc2)C1	ZINC000852433163	CD	On-Demand	Anodyne	OPRK1	21	45
O=C1OCCN1[C@H]1CCN(C[C@H](O)c2ccccc2)C1	ZINC000852433163	CD	On-Demand	Anodyne	CCR5	20	51
O=C1OCCN1[C@H]1CCN(C[C@H](O)c2ccccc2)C1	ZINC000852433163	CD	On-Demand	Anodyne	Q8WSF8_APLCA	23	40
O=C1OCCN1[C@@H]1CCN(C[C@H](O)c2ccccc2)C1	ZINC000852433164	CD	On-Demand	Anodyne	OPRK1	21	45
O=C1OCCN1[C@@H]1CCN(C[C@H](O)c2ccccc2)C1	ZINC000852433164	CD	On-Demand	Anodyne	CCR5	20	51
O=C1OCCN1[C@@H]1CCN(C[C@H](O)c2ccccc2)C1	ZINC000852433164	CD	On-Demand	Anodyne	Q8WSF8_APLCA	23	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)c2ccccc2)C1	ZINC000852433165	CD	On-Demand	Anodyne	OPRK1	21	45
O=C1OCCN1[C@H]1CCN(C[C@@H](O)c2ccccc2)C1	ZINC000852433165	CD	On-Demand	Anodyne	CCR5	20	51
O=C1OCCN1[C@H]1CCN(C[C@@H](O)c2ccccc2)C1	ZINC000852433165	CD	On-Demand	Anodyne	Q8WSF8_APLCA	23	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1	ZINC000852433166	CD	On-Demand	Anodyne	OPRK1	21	45
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1	ZINC000852433166	CD	On-Demand	Anodyne	CCR5	20	51
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1	ZINC000852433166	CD	On-Demand	Anodyne	Q8WSF8_APLCA	23	40
O=C(CN1C(=O)N[C@@H](c2cccc3ccccc23)C1=O)NCC1CC1	ZINC000852433177	ED	On-Demand	Anodyne	AVPR1B	22	42
O=C(CN1C(=O)N[C@H](c2cccc3ccccc23)C1=O)NCC1CC1	ZINC000852433178	ED	On-Demand	Anodyne	AVPR1B	22	42
C[C@H](CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852433265	CE	On-Demand	Anodyne	OPRK1	17	42
C[C@H](CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852433265	CE	On-Demand	Anodyne	CCR5	20	52
C[C@H](CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852433266	CE	On-Demand	Anodyne	OPRK1	17	42
C[C@H](CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852433266	CE	On-Demand	Anodyne	CCR5	20	52
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2C(F)(F)F)C1	ZINC000852433308	EF	On-Demand	Anodyne	LTA4H	18	47
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2C(F)(F)F)C1	ZINC000852433309	EF	On-Demand	Anodyne	LTA4H	18	47
CCCCNC(=O)CCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852433332	CC	On-Demand	Anodyne	LASR	40	33
CCCCNC(=O)CCN1CC[C@H](N2CCOC2=O)C1	ZINC000852433333	CC	On-Demand	Anodyne	LASR	40	33
O=C1OCCN1[C@H]1CCN(C[C@H](O)c2cccc(Cl)c2)C1	ZINC000852433348	DD	On-Demand	Anodyne	CYP3A4	45	34
O=C1OCCN1[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)C1	ZINC000852433349	DD	On-Demand	Anodyne	CYP3A4	45	34
O=C1OCCN1[C@H]1CCN(C[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852433350	DD	On-Demand	Anodyne	CYP3A4	45	34
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852433351	DD	On-Demand	Anodyne	CYP3A4	45	34
CCN(C(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852433357	DD	On-Demand	Anodyne	CCR5	30	45
O=C(CN1CC[C@H](N2CCOC2=O)C1)N(c1ccccc1)C1CCCCC1	ZINC000852433378	FF	On-Demand	Anodyne	CCR5	21	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N(c1ccccc1)C1CCCCC1	ZINC000852433379	FF	On-Demand	Anodyne	CCR5	21	44
O=C1OCCN1[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCO3)C1	ZINC000852433406	DE	On-Demand	Anodyne	PDE11A	68	39
O=C1OCCN1[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCO3)C1	ZINC000852433407	DE	On-Demand	Anodyne	PDE11A	68	39
O=C1OCCN1[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1	ZINC000852433418	DF	On-Demand	Anodyne	CACNA1B	25	40
O=C1OCCN1[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1	ZINC000852433418	DF	On-Demand	Anodyne	CCR2	27	41
O=C1OCCN1[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1	ZINC000852433419	DF	On-Demand	Anodyne	CACNA1B	25	40
O=C1OCCN1[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1	ZINC000852433419	DF	On-Demand	Anodyne	CCR2	27	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(Cl)c1	ZINC000852433432	DD	On-Demand	Anodyne	NPY5R	15	49
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(Cl)c1	ZINC000852433432	DD	On-Demand	Anodyne	MCHR1	42	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(Cl)c1	ZINC000852433433	DD	On-Demand	Anodyne	NPY5R	15	49
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(Cl)c1	ZINC000852433433	DD	On-Demand	Anodyne	MCHR1	42	40
O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852433454	GG	On-Demand	Anodyne	NPY2R	41	38
O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852433455	GG	On-Demand	Anodyne	NPY2R	41	38
COC(=O)c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)c(Cl)c1	ZINC000852433470	FE	On-Demand	Anodyne	HTR4	42	34
COC(=O)c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)c(Cl)c1	ZINC000852433471	FE	On-Demand	Anodyne	HTR4	42	34
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cccnc1	ZINC000852433504	DC	On-Demand	Anodyne	CHRNA7	43	34
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cccnc1	ZINC000852433504	DC	On-Demand	Anodyne	PDE11A	69	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cccnc1	ZINC000852433504	DC	On-Demand	Anodyne	NAMPT	66	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cccnc1	ZINC000852433505	DC	On-Demand	Anodyne	CHRNA7	43	34
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cccnc1	ZINC000852433505	DC	On-Demand	Anodyne	PDE11A	69	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cccnc1	ZINC000852433505	DC	On-Demand	Anodyne	NAMPT	66	42
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852433527	GG	On-Demand	Anodyne	NPY2R	41	38
O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852433529	GG	On-Demand	Anodyne	NPY2R	41	38
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)C1	ZINC000852433530	FC	On-Demand	Anodyne	PDE11A	54	33
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)C1	ZINC000852433532	FC	On-Demand	Anodyne	PDE11A	54	33
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)C1	ZINC000852433534	FC	On-Demand	Anodyne	PDE11A	54	33
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)C1	ZINC000852433536	FC	On-Demand	Anodyne	PDE11A	54	33
O=C1OCCN1[C@H]1CCN(CCCc2ccccc2)C1	ZINC000852433544	CE	On-Demand	Anodyne	OPRM1	15	47
O=C1OCCN1[C@H]1CCN(CCCc2ccccc2)C1	ZINC000852433544	CE	On-Demand	Anodyne	SIGMAR1	57	49
O=C1OCCN1[C@H]1CCN(CCCc2ccccc2)C1	ZINC000852433544	CE	On-Demand	Anodyne	PDE11A	65	33
O=C1OCCN1[C@H]1CCN(CCCc2ccccc2)C1	ZINC000852433544	CE	On-Demand	Anodyne	CYP2J2	45	34
O=C1OCCN1[C@@H]1CCN(CCCc2ccccc2)C1	ZINC000852433546	CE	On-Demand	Anodyne	OPRM1	15	47
O=C1OCCN1[C@@H]1CCN(CCCc2ccccc2)C1	ZINC000852433546	CE	On-Demand	Anodyne	SIGMAR1	57	49
O=C1OCCN1[C@@H]1CCN(CCCc2ccccc2)C1	ZINC000852433546	CE	On-Demand	Anodyne	PDE11A	65	33
O=C1OCCN1[C@@H]1CCN(CCCc2ccccc2)C1	ZINC000852433546	CE	On-Demand	Anodyne	CYP2J2	45	34
O=C1OCCN1[C@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852433547	FG	On-Demand	Anodyne	DRD2	15	42
O=C1OCCN1[C@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852433547	FG	On-Demand	Anodyne	HRH3	29	52
O=C1OCCN1[C@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852433547	FG	On-Demand	Anodyne	EPHX2	16	47
O=C1OCCN1[C@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852433547	FG	On-Demand	Anodyne	GALR3	52	39
O=C1OCCN1[C@@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852433549	FG	On-Demand	Anodyne	DRD2	15	42
O=C1OCCN1[C@@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852433549	FG	On-Demand	Anodyne	HRH3	29	52
O=C1OCCN1[C@@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852433549	FG	On-Demand	Anodyne	EPHX2	16	47
O=C1OCCN1[C@@H]1CCN(CCCCOc2cccc(C(F)(F)F)c2)C1	ZINC000852433549	FG	On-Demand	Anodyne	GALR3	52	39
O=C1OCCN1[C@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852433598	EE	On-Demand	Anodyne	CD74	41	33
O=C1OCCN1[C@@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852433599	EE	On-Demand	Anodyne	CD74	41	33
O=C1OCCN1[C@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852433600	EE	On-Demand	Anodyne	CD74	41	33
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852433601	EE	On-Demand	Anodyne	CD74	41	33
N#Cc1ccccc1OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852433622	DD	On-Demand	Mild	LTA4H	15	47
N#Cc1ccccc1OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852433623	DD	On-Demand	Mild	LTA4H	15	47
O=C1OCCN1[C@@H]1CCN(Cc2nc3ccccc3s2)C1	ZINC000852433630	DE	On-Demand	Anodyne	LTA4H	30	60
O=C1OCCN1[C@H]1CCN(Cc2nc3ccccc3s2)C1	ZINC000852433631	DE	On-Demand	Anodyne	LTA4H	30	60
O=C1OCCN1[C@H]1CCN(CCc2ccccc2)C1	ZINC000852433642	CD	On-Demand	Anodyne	DRD2	15	45
O=C1OCCN1[C@H]1CCN(CCc2ccccc2)C1	ZINC000852433642	CD	On-Demand	Anodyne	DRD4	22	44
O=C1OCCN1[C@H]1CCN(CCc2ccccc2)C1	ZINC000852433642	CD	On-Demand	Anodyne	OPRM1	17	42
O=C1OCCN1[C@H]1CCN(CCc2ccccc2)C1	ZINC000852433642	CD	On-Demand	Anodyne	LTA4H	15	53
O=C1OCCN1[C@H]1CCN(CCc2ccccc2)C1	ZINC000852433642	CD	On-Demand	Anodyne	SIGMAR1	53	46
O=C1OCCN1[C@H]1CCN(CCc2ccccc2)C1	ZINC000852433642	CD	On-Demand	Anodyne	PDE11A	57	34
O=C1OCCN1[C@H]1CCN(CCc2ccccc2)C1	ZINC000852433642	CD	On-Demand	Anodyne	KCNJ1	41	33
O=C1OCCN1[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852433643	CD	On-Demand	Anodyne	DRD2	15	45
O=C1OCCN1[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852433643	CD	On-Demand	Anodyne	DRD4	22	44
O=C1OCCN1[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852433643	CD	On-Demand	Anodyne	OPRM1	17	42
O=C1OCCN1[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852433643	CD	On-Demand	Anodyne	LTA4H	15	53
O=C1OCCN1[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852433643	CD	On-Demand	Anodyne	SIGMAR1	53	46
O=C1OCCN1[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852433643	CD	On-Demand	Anodyne	PDE11A	57	34
O=C1OCCN1[C@@H]1CCN(CCc2ccccc2)C1	ZINC000852433643	CD	On-Demand	Anodyne	KCNJ1	41	33
C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852433644	GE	On-Demand	Anodyne	EBP	17	42
C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852433645	GE	On-Demand	Anodyne	EBP	17	42
C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852433646	GE	On-Demand	Anodyne	EBP	17	42
C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852433647	GE	On-Demand	Anodyne	EBP	17	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCN1CCc2ccccc21	ZINC000852433650	FC	On-Demand	Anodyne	PLD1	45	33
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCN1CCc2ccccc21	ZINC000852433650	FC	On-Demand	Anodyne	PLD2	43	33
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCN1CCc2ccccc21	ZINC000852433651	FC	On-Demand	Anodyne	PLD1	45	33
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCN1CCc2ccccc21	ZINC000852433651	FC	On-Demand	Anodyne	PLD2	43	33
O=C1OCCN1[C@@H]1CCN(Cc2ccc(I)cc2)C1	ZINC000852433658	FE	On-Demand	Anodyne	SIGMAR1	15	40
O=C1OCCN1[C@H]1CCN(Cc2ccc(I)cc2)C1	ZINC000852433659	FE	On-Demand	Anodyne	SIGMAR1	15	40
O=C1OCCN1[C@H]1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1	ZINC000852433672	FF	On-Demand	Anodyne	PDE11A	57	36
O=C1OCCN1[C@@H]1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1	ZINC000852433673	FF	On-Demand	Anodyne	PDE11A	57	36
CS(=O)(=O)c1cccc(OCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852433714	FC	On-Demand	Anodyne	LTA4H	21	47
CS(=O)(=O)c1cccc(OCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852433715	FC	On-Demand	Anodyne	LTA4H	21	47
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1cccc(Cl)c1	ZINC000852433739	FD	On-Demand	Anodyne	HRH2	30	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1cccc(Cl)c1	ZINC000852433739	FD	On-Demand	Anodyne	AVPR1B	48	38
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1cccc(Cl)c1	ZINC000852433740	FD	On-Demand	Anodyne	HRH2	30	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1cccc(Cl)c1	ZINC000852433740	FD	On-Demand	Anodyne	AVPR1B	48	38
CC(C)(C)OC(=O)N1CCC(CN2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852433745	FE	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852433746	FE	On-Demand	Anodyne	GPR119	30	41
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852433754	GB	On-Demand	Anodyne	CA7	16	45
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852433755	GB	On-Demand	Anodyne	CA7	16	45
COc1ccccc1NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852433758	DD	On-Demand	Anodyne	DRD4	23	44
COc1ccccc1NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852433761	DD	On-Demand	Anodyne	DRD4	23	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CC=C(c2c[nH]c3ccccc23)CC1	ZINC000852433803	GE	On-Demand	Anodyne	SLC6A4	15	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CC=C(c2c[nH]c3ccccc23)CC1	ZINC000852433806	GE	On-Demand	Anodyne	SLC6A4	15	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1C(F)(F)F	ZINC000852433823	FE	On-Demand	Anodyne	RBP4	51	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1C(F)(F)F	ZINC000852433825	FE	On-Demand	Anodyne	RBP4	51	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(F)c(Cl)c1	ZINC000852433874	ED	On-Demand	Anodyne	NPY5R	15	50
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(F)c(Cl)c1	ZINC000852433874	ED	On-Demand	Anodyne	ERBB4	40	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(F)c(Cl)c1	ZINC000852433874	ED	On-Demand	Anodyne	MCHR1	45	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(F)c(Cl)c1	ZINC000852433876	ED	On-Demand	Anodyne	NPY5R	15	50
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(F)c(Cl)c1	ZINC000852433876	ED	On-Demand	Anodyne	ERBB4	40	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(F)c(Cl)c1	ZINC000852433876	ED	On-Demand	Anodyne	MCHR1	45	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2ccccc2c1	ZINC000852433883	EE	On-Demand	Anodyne	DRD4	17	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2ccccc2c1	ZINC000852433883	EE	On-Demand	Anodyne	NPY5R	15	49
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2ccccc2c1	ZINC000852433883	EE	On-Demand	Anodyne	IMDH_CRYPV	18	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2ccccc2c1	ZINC000852433886	EE	On-Demand	Anodyne	DRD4	17	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2ccccc2c1	ZINC000852433886	EE	On-Demand	Anodyne	NPY5R	15	49
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2ccccc2c1	ZINC000852433886	EE	On-Demand	Anodyne	IMDH_CRYPV	18	40
O=C1OCCN1[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1	ZINC000852433895	CD	On-Demand	Anodyne	PDE11A	68	33
O=C1OCCN1[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1	ZINC000852433896	CD	On-Demand	Anodyne	PDE11A	68	33
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000852433897	GD	On-Demand	Anodyne	SSTR1	35	42
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000852433899	GD	On-Demand	Anodyne	SSTR1	35	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852433940	EC	On-Demand	Anodyne	NOS2	56	31
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852433940	EC	On-Demand	Anodyne	PDE11A	60	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852433940	EC	On-Demand	Anodyne	MCHR1	19	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852433941	EC	On-Demand	Anodyne	NOS2	56	31
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852433941	EC	On-Demand	Anodyne	PDE11A	60	37
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2c(c1)OCO2	ZINC000852433941	EC	On-Demand	Anodyne	MCHR1	19	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000852433956	ED	On-Demand	Anodyne	BDKRB1	22	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000852433956	ED	On-Demand	Anodyne	LUXR	67	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000852433956	ED	On-Demand	Anodyne	TRAR	76	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCOc2ccccc21	ZINC000852433957	ED	On-Demand	Anodyne	BDKRB1	22	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCOc2ccccc21	ZINC000852433957	ED	On-Demand	Anodyne	LUXR	67	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H]1CCOc2ccccc21	ZINC000852433957	ED	On-Demand	Anodyne	TRAR	76	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000852433958	ED	On-Demand	Anodyne	BDKRB1	22	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000852433958	ED	On-Demand	Anodyne	LUXR	67	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H]1CCOc2ccccc21	ZINC000852433958	ED	On-Demand	Anodyne	TRAR	76	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCOc2ccccc21	ZINC000852433959	ED	On-Demand	Anodyne	BDKRB1	22	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCOc2ccccc21	ZINC000852433959	ED	On-Demand	Anodyne	LUXR	67	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H]1CCOc2ccccc21	ZINC000852433959	ED	On-Demand	Anodyne	TRAR	76	36
CC(=O)Nc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852433989	DD	On-Demand	Anodyne	CCR3	58	42
CC(=O)Nc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852433989	DD	On-Demand	Anodyne	MCHR1	40	47
CC(=O)Nc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852433991	DD	On-Demand	Anodyne	CCR3	58	42
CC(=O)Nc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852433991	DD	On-Demand	Anodyne	MCHR1	40	47
CS(=O)(=O)c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434019	FC	On-Demand	Anodyne	LTA4H	38	50
CS(=O)(=O)c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434019	FC	On-Demand	Anodyne	HRH3	22	41
CS(=O)(=O)c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434020	FC	On-Demand	Anodyne	LTA4H	38	50
CS(=O)(=O)c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434020	FC	On-Demand	Anodyne	HRH3	22	41
O=C1OCCN1[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852434046	DD	On-Demand	Bother	LTA4H	41	53
O=C1OCCN1[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852434046	DD	On-Demand	Bother	HRH3	16	41
O=C1OCCN1[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852434048	DD	On-Demand	Bother	LTA4H	41	53
O=C1OCCN1[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000852434048	DD	On-Demand	Bother	HRH3	16	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NC1C2CC3CC(C2)CC1C3	ZINC000852434098	ED	On-Demand	Anodyne	HSD11B1	42	32
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1	ZINC000852434133	FF	On-Demand	Anodyne	LTA4H	25	49
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1	ZINC000852434133	FF	On-Demand	Anodyne	SLC6A5	17	45
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1	ZINC000852434134	FF	On-Demand	Anodyne	LTA4H	25	49
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3cccnc3)cc2)C1	ZINC000852434134	FF	On-Demand	Anodyne	SLC6A5	17	45
COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434158	FC	On-Demand	Anodyne	ACOX1	47	32
COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434159	FC	On-Demand	Anodyne	ACOX1	47	32
COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434160	FC	On-Demand	Anodyne	ACOX1	47	32
COC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434161	FC	On-Demand	Anodyne	ACOX1	47	32
O=C1OCCN1[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)C1	ZINC000852434202	EF	On-Demand	Anodyne	LTA4H	22	47
O=C1OCCN1[C@H]1CCN(CCOc2c(Cl)cccc2Cl)C1	ZINC000852434203	EF	On-Demand	Anodyne	LTA4H	22	47
COC[C@@H](O)CNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852434204	ED	On-Demand	Anodyne	CACNA1I	50	34
COC[C@@H](O)CNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852434205	ED	On-Demand	Anodyne	CACNA1I	50	34
C#CCN(CC(=O)NCc1ccc(OC)cc1)CC(=O)OC(C)(C)C	ZINC000852434214	ED	On-Demand	Mild	CA9	15	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852434226	GF	On-Demand	Anodyne	LTA4H	78	47
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852434226	GF	On-Demand	Anodyne	NPY5R	19	64
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852434226	GF	On-Demand	Anodyne	MCHR1	20	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852434227	GF	On-Demand	Anodyne	LTA4H	78	47
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852434227	GF	On-Demand	Anodyne	NPY5R	19	64
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852434227	GF	On-Demand	Anodyne	MCHR1	20	40
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852434240	GG	On-Demand	Anodyne	ADRB2	18	40
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852434240	GG	On-Demand	Anodyne	CHRM3	28	48
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852434242	GG	On-Demand	Anodyne	ADRB2	18	40
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852434242	GG	On-Demand	Anodyne	CHRM3	28	48
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434250	GF	On-Demand	Anodyne	TSHR	48	32
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434250	GF	On-Demand	Anodyne	LTA4H	59	51
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434250	GF	On-Demand	Anodyne	ADAM17	23	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434250	GF	On-Demand	Anodyne	SLC6A5	31	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434250	GF	On-Demand	Anodyne	MCHR1	19	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434251	GF	On-Demand	Anodyne	TSHR	48	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434251	GF	On-Demand	Anodyne	LTA4H	59	51
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434251	GF	On-Demand	Anodyne	ADAM17	23	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434251	GF	On-Demand	Anodyne	SLC6A5	31	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OCc2ccccc2)cc1	ZINC000852434251	GF	On-Demand	Anodyne	MCHR1	19	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1Cl	ZINC000852434254	DD	On-Demand	Anodyne	DRD4	15	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1Cl	ZINC000852434254	DD	On-Demand	Anodyne	EPHB3	40	32
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1Cl	ZINC000852434255	DD	On-Demand	Anodyne	DRD4	15	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1Cl	ZINC000852434255	DD	On-Demand	Anodyne	EPHB3	40	32
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)c1cccs1	ZINC000852434262	GF	On-Demand	Anodyne	PRCP	27	45
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)c1cccs1	ZINC000852434263	GF	On-Demand	Anodyne	PRCP	27	45
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)c1cccs1	ZINC000852434264	GF	On-Demand	Anodyne	PRCP	27	45
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)c1cccs1	ZINC000852434265	GF	On-Demand	Anodyne	PRCP	27	45
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434272	ED	On-Demand	Anodyne	ADRB1	18	43
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434272	ED	On-Demand	Anodyne	HTR1A	17	54
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434272	ED	On-Demand	Anodyne	SLC6A4	21	47
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434272	ED	On-Demand	Anodyne	ABCB1	40	38
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434273	ED	On-Demand	Anodyne	ADRB1	18	43
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434273	ED	On-Demand	Anodyne	HTR1A	17	54
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434273	ED	On-Demand	Anodyne	SLC6A4	21	47
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434273	ED	On-Demand	Anodyne	ABCB1	40	38
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434274	ED	On-Demand	Anodyne	ADRB1	18	43
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434274	ED	On-Demand	Anodyne	HTR1A	17	54
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434274	ED	On-Demand	Anodyne	SLC6A4	21	47
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434274	ED	On-Demand	Anodyne	ABCB1	40	38
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434275	ED	On-Demand	Anodyne	ADRB1	18	43
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434275	ED	On-Demand	Anodyne	HTR1A	17	54
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434275	ED	On-Demand	Anodyne	SLC6A4	21	47
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)C1	ZINC000852434275	ED	On-Demand	Anodyne	ABCB1	40	38
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cc(Cl)ccc1F	ZINC000852434288	ED	On-Demand	Anodyne	NPY5R	15	45
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cc(Cl)ccc1F	ZINC000852434289	ED	On-Demand	Anodyne	NPY5R	15	45
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cnn(-c2ccccc2)c1	ZINC000852434292	FD	On-Demand	Anodyne	PDE11A	53	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cnn(-c2ccccc2)c1	ZINC000852434293	FD	On-Demand	Anodyne	PDE11A	53	32
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCC1(c2ccccc2)CCCCC1	ZINC000852434306	GF	On-Demand	Anodyne	KCNA3	43	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCC1(c2ccccc2)CCCCC1	ZINC000852434307	GF	On-Demand	Anodyne	KCNA3	43	35
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)C1	ZINC000852434320	FD	On-Demand	Anodyne	PDS	40	34
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)C1	ZINC000852434321	FD	On-Demand	Anodyne	PDS	40	34
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1	ZINC000852434322	FD	On-Demand	Anodyne	PDS	40	34
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1	ZINC000852434323	FD	On-Demand	Anodyne	PDS	40	34
O=C1OCCN1[C@@H]1CCN(CCOc2cc(Cl)cc(Cl)c2)C1	ZINC000852434366	EF	On-Demand	Anodyne	LTA4H	21	48
O=C1OCCN1[C@H]1CCN(CCOc2cc(Cl)cc(Cl)c2)C1	ZINC000852434367	EF	On-Demand	Anodyne	LTA4H	21	48
O=C1OCCN1[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1	ZINC000852434370	CF	On-Demand	Anodyne	OPRL1	17	54
O=C1OCCN1[C@H]1CCN([C@@H]2CCCc3ccccc32)C1	ZINC000852434371	CF	On-Demand	Anodyne	OPRL1	17	54
O=C1OCCN1[C@H]1CCN([C@H]2CCCc3ccccc32)C1	ZINC000852434372	CF	On-Demand	Anodyne	OPRL1	17	54
O=C1OCCN1[C@@H]1CCN([C@H]2CCCc3ccccc32)C1	ZINC000852434373	CF	On-Demand	Anodyne	OPRL1	17	54
O=C1OCCN1[C@H]1CCN(Cc2cc3ccccc3nc2O)C1	ZINC000852434382	DD	On-Demand	Anodyne	PDE11A	49	33
O=C1OCCN1[C@@H]1CCN(Cc2cc3ccccc3nc2O)C1	ZINC000852434383	DD	On-Demand	Anodyne	PDE11A	49	33
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434404	FG	On-Demand	Anodyne	DRD4	40	40
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434404	FG	On-Demand	Anodyne	LTA4H	52	54
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434404	FG	On-Demand	Anodyne	HRH3	20	51
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434404	FG	On-Demand	Anodyne	SIGMAR1	58	48
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434404	FG	On-Demand	Anodyne	GRM2	16	51
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434404	FG	On-Demand	Anodyne	SLC6A5	32	46
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434404	FG	On-Demand	Anodyne	MCHR1	16	41
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434409	FG	On-Demand	Anodyne	DRD4	40	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434409	FG	On-Demand	Anodyne	LTA4H	52	54
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434409	FG	On-Demand	Anodyne	HRH3	20	51
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434409	FG	On-Demand	Anodyne	SIGMAR1	58	48
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434409	FG	On-Demand	Anodyne	GRM2	16	51
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434409	FG	On-Demand	Anodyne	SLC6A5	32	46
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1	ZINC000852434409	FG	On-Demand	Anodyne	MCHR1	16	41
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccc(F)cc2)C1	ZINC000852434420	DD	On-Demand	Anodyne	ABCB1	38	44
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccc(F)cc2)C1	ZINC000852434422	DD	On-Demand	Anodyne	ABCB1	38	44
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccc(F)cc2)C1	ZINC000852434424	DD	On-Demand	Anodyne	ABCB1	38	44
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccc(F)cc2)C1	ZINC000852434426	DD	On-Demand	Anodyne	ABCB1	38	44
C#CCN(CC(=O)OC(C)(C)C)CC(=O)N(C)Cc1cccc(OC)c1	ZINC000852434442	FD	On-Demand	Mild	ROCK1	21	41
C#CCN(CC(=O)OC(C)(C)C)CC(=O)N(C)Cc1cccc(OC)c1	ZINC000852434442	FD	On-Demand	Mild	ROCK2	33	41
C#CCN(CC(=O)OC(C)(C)C)CC(=O)N(C)Cc1cccc(OC)c1	ZINC000852434442	FD	On-Demand	Mild	HSD17B2	19	45
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852434444	EE	On-Demand	Mild	ANPEP	15	43
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852434444	EE	On-Demand	Mild	CTSK	15	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852434444	EE	On-Demand	Mild	TACR3	16	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852434444	EE	On-Demand	Mild	FPR1	48	38
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852434444	EE	On-Demand	Mild	NPR	48	39
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852434444	EE	On-Demand	Mild	AMP1_PLAFQ	24	43
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852434445	EE	On-Demand	Mild	ANPEP	15	43
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852434445	EE	On-Demand	Mild	CTSK	15	41
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852434445	EE	On-Demand	Mild	TACR3	16	41
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852434445	EE	On-Demand	Mild	FPR1	48	38
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852434445	EE	On-Demand	Mild	NPR	48	39
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852434445	EE	On-Demand	Mild	AMP1_PLAFQ	24	43
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(C)Cc1ccccc1	ZINC000852434456	EE	On-Demand	Mild	CTSB	28	45
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N(C)Cc1ccccc1	ZINC000852434457	EE	On-Demand	Mild	CTSB	28	45
CC(=O)Nc1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852434468	ED	On-Demand	Anodyne	NPY5R	15	47
CC(=O)Nc1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852434469	ED	On-Demand	Anodyne	NPY5R	15	47
Cc1cccc(CNC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852434524	DD	On-Demand	Anodyne	PDE11A	59	35
Cc1cccc(CNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852434525	DD	On-Demand	Anodyne	PDE11A	59	35
C#CCN(CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852434554	GC	On-Demand	Mild	CA2	26	41
C#CCN(CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852434554	GC	On-Demand	Mild	CA1	23	41
C#CCN(CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852434554	GC	On-Demand	Mild	CA4	40	40
C[C@@H](OCCCNC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434573	GD	On-Demand	Anodyne	CCR5	17	42
C#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852434576	FC	On-Demand	Mild	CA2	33	54
C#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852434576	FC	On-Demand	Mild	CA1	31	54
C#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852434576	FC	On-Demand	Mild	CA7	28	46
C#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852434576	FC	On-Demand	Mild	CA4	30	42
C#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852434576	FC	On-Demand	Mild	CA14	18	41
C#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852434576	FC	On-Demand	Mild	CA12	23	54
C#CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)OC(C)(C)C	ZINC000852434576	FC	On-Demand	Mild	CA9	23	54
C[C@@H](OCCCNC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434577	GD	On-Demand	Anodyne	CCR5	17	42
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434578	ED	On-Demand	Anodyne	ABCB1	44	41
CC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434580	ED	On-Demand	Anodyne	ABCB1	44	41
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434582	ED	On-Demand	Anodyne	ABCB1	44	41
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434584	ED	On-Demand	Anodyne	ABCB1	44	41
O=C1OCCN1[C@H]1CCN(CCOc2ccc3ccccc3c2)C1	ZINC000852434627	EF	On-Demand	Anodyne	ESR1	48	35
O=C1OCCN1[C@H]1CCN(CCOc2ccc3ccccc3c2)C1	ZINC000852434627	EF	On-Demand	Anodyne	LTA4H	58	57
O=C1OCCN1[C@H]1CCN(CCOc2ccc3ccccc3c2)C1	ZINC000852434627	EF	On-Demand	Anodyne	SIGMAR1	18	41
O=C1OCCN1[C@H]1CCN(CCOc2ccc3ccccc3c2)C1	ZINC000852434627	EF	On-Demand	Anodyne	PDE11A	40	29
O=C1OCCN1[C@@H]1CCN(CCOc2ccc3ccccc3c2)C1	ZINC000852434629	EF	On-Demand	Anodyne	ESR1	48	35
O=C1OCCN1[C@@H]1CCN(CCOc2ccc3ccccc3c2)C1	ZINC000852434629	EF	On-Demand	Anodyne	LTA4H	58	57
O=C1OCCN1[C@@H]1CCN(CCOc2ccc3ccccc3c2)C1	ZINC000852434629	EF	On-Demand	Anodyne	SIGMAR1	18	41
O=C1OCCN1[C@@H]1CCN(CCOc2ccc3ccccc3c2)C1	ZINC000852434629	EF	On-Demand	Anodyne	PDE11A	40	29
O=C(CN1CC[C@H](N2CCOC2=O)C1)OCc1ccccc1	ZINC000852434638	DD	On-Demand	Anodyne	CCR5	25	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)OCc1ccccc1	ZINC000852434639	DD	On-Demand	Anodyne	CCR5	25	41
C#CCN(CC(=O)Nc1ccsc1C(=O)OC)CC(=O)OC(C)(C)C	ZINC000852434665	FD	On-Demand	Mild	FAS	46	52
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852434695	GD	On-Demand	Anodyne	MTOR	59	37
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852434698	GD	On-Demand	Anodyne	MTOR	59	37
O=C1OCCN1[C@@H]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1	ZINC000852434709	GF	On-Demand	Anodyne	GRM5	15	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000852434710	GC	On-Demand	Anodyne	PDE11A	57	35
O=C1OCCN1[C@H]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1	ZINC000852434711	GF	On-Demand	Anodyne	GRM5	15	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000852434712	GC	On-Demand	Anodyne	PDE11A	57	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NNC(=O)c1ccc(F)cc1	ZINC000852434734	FC	On-Demand	Reactive	HTR1F	21	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NNC(=O)c1ccc(F)cc1	ZINC000852434734	FC	On-Demand	Reactive	PLD1	52	38
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NNC(=O)c1ccc(F)cc1	ZINC000852434734	FC	On-Demand	Reactive	WNT3A	47	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)NNC(=O)c1ccc(F)cc1	ZINC000852434735	FC	On-Demand	Reactive	HTR1F	21	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)NNC(=O)c1ccc(F)cc1	ZINC000852434735	FC	On-Demand	Reactive	PLD1	52	38
O=C(CN1CC[C@H](N2CCOC2=O)C1)NNC(=O)c1ccc(F)cc1	ZINC000852434735	FC	On-Demand	Reactive	WNT3A	47	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(OC(F)(F)F)cc1	ZINC000852434758	GD	On-Demand	Anodyne	TRAR	37	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(OC(F)(F)F)cc1	ZINC000852434759	GD	On-Demand	Anodyne	TRAR	37	42
C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852434762	GG	On-Demand	Anodyne	BIRC2	43	35
C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852434762	GG	On-Demand	Anodyne	BIRC8	46	35
C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852434763	GG	On-Demand	Anodyne	BIRC2	43	35
C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852434763	GG	On-Demand	Anodyne	BIRC8	46	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852434766	GF	On-Demand	Anodyne	MCHR1	21	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852434766	GF	On-Demand	Anodyne	IMDH_CRYPV	17	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852434767	GF	On-Demand	Anodyne	MCHR1	21	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852434767	GF	On-Demand	Anodyne	IMDH_CRYPV	17	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1Oc1ccccc1	ZINC000852434768	GF	On-Demand	Anodyne	LTA4H	17	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1Oc1ccccc1	ZINC000852434769	GF	On-Demand	Anodyne	LTA4H	17	43
COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOC3=O)C2)cc1OC	ZINC000852434792	FD	On-Demand	Anodyne	ENPP1	59	30
COc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CCOC3=O)C2)cc1OC	ZINC000852434793	FD	On-Demand	Anodyne	ENPP1	59	30
C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(C(=O)N2CCCC2)cc1	ZINC000852434817	FF	On-Demand	Mild	L3MBTL3	48	35
Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)no1	ZINC000852434822	GI	On-Demand	Anodyne	CPT1A	58	40
Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)no1	ZINC000852434825	GI	On-Demand	Anodyne	CPT1A	58	40
CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434835	GC	On-Demand	Anodyne	ESR1	26	40
CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434835	GC	On-Demand	Anodyne	ESR2	15	40
CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852434835	GC	On-Demand	Anodyne	LTA4H	27	48
CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434836	GC	On-Demand	Anodyne	ESR1	26	40
CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434836	GC	On-Demand	Anodyne	ESR2	15	40
CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852434836	GC	On-Demand	Anodyne	LTA4H	27	48
Cc1oc(-c2ccccc2)nc1CN1CC[C@H](N2CCOC2=O)C1	ZINC000852434839	EF	On-Demand	Anodyne	PPARG	58	38
Cc1oc(-c2ccccc2)nc1CN1CC[C@H](N2CCOC2=O)C1	ZINC000852434839	EF	On-Demand	Anodyne	PPARA	59	37
Cc1oc(-c2ccccc2)nc1CN1CC[C@H](N2CCOC2=O)C1	ZINC000852434839	EF	On-Demand	Anodyne	PDE8B	77	47
Cc1oc(-c2ccccc2)nc1CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852434840	EF	On-Demand	Anodyne	PPARG	58	38
Cc1oc(-c2ccccc2)nc1CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852434840	EF	On-Demand	Anodyne	PPARA	59	37
Cc1oc(-c2ccccc2)nc1CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852434840	EF	On-Demand	Anodyne	PDE8B	77	47
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Cl)c2)C1	ZINC000852434857	CE	On-Demand	Anodyne	DRD2	15	45
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Cl)c2)C1	ZINC000852434857	CE	On-Demand	Anodyne	DRD4	43	46
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Cl)c2)C1	ZINC000852434857	CE	On-Demand	Anodyne	SIGMAR1	32	47
O=C1OCCN1[C@H]1CCN(Cc2cccc(Cl)c2)C1	ZINC000852434858	CE	On-Demand	Anodyne	DRD2	15	45
O=C1OCCN1[C@H]1CCN(Cc2cccc(Cl)c2)C1	ZINC000852434858	CE	On-Demand	Anodyne	DRD4	43	46
O=C1OCCN1[C@H]1CCN(Cc2cccc(Cl)c2)C1	ZINC000852434858	CE	On-Demand	Anodyne	SIGMAR1	32	47
CCC[C@H](NC(=O)[C@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434876	FF	On-Demand	Anodyne	CCR5	33	41
CCC[C@H](NC(=O)[C@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434876	FF	On-Demand	Anodyne	XIAP	41	33
CCC[C@H](NC(=O)[C@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434876	FF	On-Demand	Anodyne	BIRC8	57	34
CCC[C@H](NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434877	FF	On-Demand	Anodyne	CCR5	33	41
CCC[C@H](NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434877	FF	On-Demand	Anodyne	XIAP	41	33
CCC[C@H](NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434877	FF	On-Demand	Anodyne	BIRC8	57	34
CCC[C@H](NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434878	FF	On-Demand	Anodyne	CCR5	33	41
CCC[C@H](NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434878	FF	On-Demand	Anodyne	XIAP	41	33
CCC[C@H](NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434878	FF	On-Demand	Anodyne	BIRC8	57	34
CCC[C@H](NC(=O)[C@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434879	FF	On-Demand	Anodyne	CCR5	33	41
CCC[C@H](NC(=O)[C@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434879	FF	On-Demand	Anodyne	XIAP	41	33
CCC[C@H](NC(=O)[C@H](C)N1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852434879	FF	On-Demand	Anodyne	BIRC8	57	34
C#CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852434888	GC	On-Demand	Mild	CA2	47	59
C#CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852434888	GC	On-Demand	Mild	CA1	41	57
C#CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852434888	GC	On-Demand	Mild	CA4	62	57
C#CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852434888	GC	On-Demand	Mild	CA5A	44	33
C#CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)OC(C)(C)C	ZINC000852434888	GC	On-Demand	Mild	CA12	20	57
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000852434889	EF	On-Demand	Anodyne	HCRTR1	17	41
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000852434889	EF	On-Demand	Anodyne	HCRTR2	17	43
O=C1OCCN1[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000852434890	EF	On-Demand	Anodyne	HCRTR1	17	41
O=C1OCCN1[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000852434890	EF	On-Demand	Anodyne	HCRTR2	17	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCC1(N2CCOCC2)CCCCC1	ZINC000852434899	GC	On-Demand	Anodyne	HCN1	53	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCC1(N2CCOCC2)CCCCC1	ZINC000852434899	GC	On-Demand	Anodyne	HCN4	51	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCC1(N2CCOCC2)CCCCC1	ZINC000852434900	GC	On-Demand	Anodyne	HCN1	53	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCC1(N2CCOCC2)CCCCC1	ZINC000852434900	GC	On-Demand	Anodyne	HCN4	51	36
C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCc2ccccc21	ZINC000852434913	ED	On-Demand	Mild	AVPR2	19	41
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	CHRM2	16	56
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	DRD2	18	43
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	DRD4	49	43
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	ACHE	38	44
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	DRD3	15	43
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	CHRM3	17	56
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	LTA4H	15	52
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	SIGMAR1	76	47
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852434921	BD	On-Demand	Anodyne	SLC18A3	22	40
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	CHRM2	16	56
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	DRD2	18	43
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	DRD4	49	43
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	ACHE	38	44
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	DRD3	15	43
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	CHRM3	17	56
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	LTA4H	15	52
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	SIGMAR1	76	47
O=C1OCCN1[C@H]1CCN(Cc2ccccc2)C1	ZINC000852434922	BD	On-Demand	Anodyne	SLC18A3	22	40
C[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(Cl)c(Cl)c1	ZINC000852434942	GF	On-Demand	Anodyne	TACR2	72	36
C[C@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(Cl)c(Cl)c1	ZINC000852434942	GF	On-Demand	Anodyne	TACR3	53	35
C[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Cl)c(Cl)c1	ZINC000852434943	GF	On-Demand	Anodyne	TACR2	72	36
C[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Cl)c(Cl)c1	ZINC000852434943	GF	On-Demand	Anodyne	TACR3	53	35
C[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Cl)c(Cl)c1	ZINC000852434944	GF	On-Demand	Anodyne	TACR2	72	36
C[C@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Cl)c(Cl)c1	ZINC000852434944	GF	On-Demand	Anodyne	TACR3	53	35
C[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(Cl)c(Cl)c1	ZINC000852434945	GF	On-Demand	Anodyne	TACR2	72	36
C[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccc(Cl)c(Cl)c1	ZINC000852434945	GF	On-Demand	Anodyne	TACR3	53	35
COc1ccc([C@@H](NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)C(C)C)cc1	ZINC000852434960	GE	On-Demand	Anodyne	EDNRB	23	43
COc1ccc([C@@H](NC(=O)CN2CC[C@H](N3CCOC3=O)C2)C(C)C)cc1	ZINC000852434962	GE	On-Demand	Anodyne	EDNRB	23	43
COc1ccc([C@H](NC(=O)CN2CC[C@H](N3CCOC3=O)C2)C(C)C)cc1	ZINC000852434964	GE	On-Demand	Anodyne	EDNRB	23	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1Cn1cccn1	ZINC000852434965	GD	On-Demand	Anodyne	PDE11A	66	34
COc1ccc([C@H](NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)C(C)C)cc1	ZINC000852434966	GE	On-Demand	Anodyne	EDNRB	23	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1Cn1cccn1	ZINC000852434967	GD	On-Demand	Anodyne	PDE11A	66	34
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1ccc(F)cc1	ZINC000852434986	FE	On-Demand	Mild	PAPA1_CARPA	16	40
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1ccc(F)cc1	ZINC000852434988	FE	On-Demand	Mild	PAPA1_CARPA	16	40
C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCc2ccccc2C1	ZINC000852434989	ED	On-Demand	Mild	PREP	15	41
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852434991	ED	On-Demand	Mild	ANPEP	18	42
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852434991	ED	On-Demand	Mild	PAPA1_CARPA	40	39
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852434991	ED	On-Demand	Mild	REN	18	40
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852434991	ED	On-Demand	Mild	FPR1	50	39
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852434991	ED	On-Demand	Mild	NPR	45	32
C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852434991	ED	On-Demand	Mild	AMP1_PLAFQ	44	42
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccccc1	ZINC000852434993	ED	On-Demand	Mild	ANPEP	18	42
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccccc1	ZINC000852434993	ED	On-Demand	Mild	PAPA1_CARPA	40	39
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccccc1	ZINC000852434993	ED	On-Demand	Mild	REN	18	40
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccccc1	ZINC000852434993	ED	On-Demand	Mild	FPR1	50	39
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccccc1	ZINC000852434993	ED	On-Demand	Mild	NPR	45	32
C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccccc1	ZINC000852434993	ED	On-Demand	Mild	AMP1_PLAFQ	44	42
O=C1OCCN1[C@H]1CCN(Cc2ccc3ccccc3c2)C1	ZINC000852435001	CF	On-Demand	Anodyne	DRD4	31	41
O=C1OCCN1[C@H]1CCN(Cc2ccc3ccccc3c2)C1	ZINC000852435001	CF	On-Demand	Anodyne	SIGMAR1	24	49
O=C1OCCN1[C@H]1CCN(Cc2ccc3ccccc3c2)C1	ZINC000852435001	CF	On-Demand	Anodyne	CCR3	39	42
O=C1OCCN1[C@H]1CCN(Cc2ccc3ccccc3c2)C1	ZINC000852435001	CF	On-Demand	Anodyne	MCHR1	17	45
O=C1OCCN1[C@@H]1CCN(Cc2ccc3ccccc3c2)C1	ZINC000852435003	CF	On-Demand	Anodyne	DRD4	31	41
O=C1OCCN1[C@@H]1CCN(Cc2ccc3ccccc3c2)C1	ZINC000852435003	CF	On-Demand	Anodyne	SIGMAR1	24	49
O=C1OCCN1[C@@H]1CCN(Cc2ccc3ccccc3c2)C1	ZINC000852435003	CF	On-Demand	Anodyne	CCR3	39	42
O=C1OCCN1[C@@H]1CCN(Cc2ccc3ccccc3c2)C1	ZINC000852435003	CF	On-Demand	Anodyne	MCHR1	17	45
CCN(C(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1nc2ccccc2s1	ZINC000852435004	FE	On-Demand	Anodyne	LTA4H	20	50
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852435009	FE	On-Demand	Anodyne	MTOR	42	37
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N2CCCCC2)cc1	ZINC000852435011	FE	On-Demand	Anodyne	MTOR	42	37
CC(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435028	ED	On-Demand	Anodyne	MTOR	60	32
CC(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435029	ED	On-Demand	Anodyne	MTOR	60	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(F)c(F)c1	ZINC000852435046	ED	On-Demand	Anodyne	NPY5R	15	48
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(F)c(F)c1	ZINC000852435047	ED	On-Demand	Anodyne	NPY5R	15	48
O=C(CN1CC[C@H](N2CCOC2=O)C1)c1c(-c2ccccc2)[nH]c2ccccc12	ZINC000852435080	GH	On-Demand	Anodyne	TSPO	16	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)c1c(-c2ccccc2)[nH]c2ccccc12	ZINC000852435080	GH	On-Demand	Anodyne	PDE11A	81	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)c1c(-c2ccccc2)[nH]c2ccccc12	ZINC000852435081	GH	On-Demand	Anodyne	TSPO	16	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)c1c(-c2ccccc2)[nH]c2ccccc12	ZINC000852435081	GH	On-Demand	Anodyne	PDE11A	81	37
CCCOc1cccc(CNC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435086	FD	On-Demand	Anodyne	PDE11A	46	33
CCCOc1cccc(CNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435087	FD	On-Demand	Anodyne	PDE11A	46	33
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1ccccc1	ZINC000852435182	EC	On-Demand	Anodyne	LTA4H	22	46
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1ccccc1	ZINC000852435183	EC	On-Demand	Anodyne	LTA4H	22	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852435188	GF	On-Demand	Anodyne	MTOR	42	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N2CCCCCC2)cc1	ZINC000852435189	GF	On-Demand	Anodyne	MTOR	42	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(F)cc1C(F)(F)F	ZINC000852435204	GD	On-Demand	Anodyne	P2RX7	45	49
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(F)cc1C(F)(F)F	ZINC000852435205	GD	On-Demand	Anodyne	P2RX7	45	49
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cccc(C(=O)NC2CC2)c1	ZINC000852435214	GC	On-Demand	Anodyne	DRD4	24	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1cccc(C(=O)NC2CC2)c1	ZINC000852435214	GC	On-Demand	Anodyne	PDE11A	53	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cccc(C(=O)NC2CC2)c1	ZINC000852435215	GC	On-Demand	Anodyne	DRD4	24	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1cccc(C(=O)NC2CC2)c1	ZINC000852435215	GC	On-Demand	Anodyne	PDE11A	53	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852435218	GD	On-Demand	Anodyne	EPHX2	73	39
O=C(CN1CC[C@H](N2CCOC2=O)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852435219	GD	On-Demand	Anodyne	EPHX2	73	39
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1cccc2ccccc12	ZINC000852435234	FF	On-Demand	Anodyne	PRKDC	52	35
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc2ccccc12	ZINC000852435235	FF	On-Demand	Anodyne	PRKDC	52	35
N#Cc1c(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)sc2c1CCCCC2	ZINC000852435246	GE	On-Demand	Mild	VIPR1	28	46
N#Cc1c(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)sc2c1CCCCC2	ZINC000852435247	GE	On-Demand	Mild	VIPR1	28	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852435268	FF	On-Demand	Anodyne	CHRM3	26	47
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852435268	FF	On-Demand	Anodyne	PRKDC	19	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852435268	FF	On-Demand	Anodyne	SMO	21	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852435269	FF	On-Demand	Anodyne	CHRM3	26	47
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852435269	FF	On-Demand	Anodyne	PRKDC	19	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1-c1ccccc1	ZINC000852435269	FF	On-Demand	Anodyne	SMO	21	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)cn1	ZINC000852435276	DD	On-Demand	Anodyne	KLKB1	15	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)cn1	ZINC000852435276	DD	On-Demand	Anodyne	F10	38	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)cn1	ZINC000852435276	DD	On-Demand	Anodyne	NPY5R	15	52
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)cn1	ZINC000852435277	DD	On-Demand	Anodyne	KLKB1	15	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)cn1	ZINC000852435277	DD	On-Demand	Anodyne	F10	38	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)cn1	ZINC000852435277	DD	On-Demand	Anodyne	NPY5R	15	52
NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435284	GC	On-Demand	Anodyne	CA2	18	50
NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435284	GC	On-Demand	Anodyne	CA4	19	50
NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435284	GC	On-Demand	Anodyne	ST14	44	37
NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435285	GC	On-Demand	Anodyne	CA2	18	50
NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435285	GC	On-Demand	Anodyne	CA4	19	50
NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435285	GC	On-Demand	Anodyne	ST14	44	37
O=C(NC1CC1)[C@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435294	ED	On-Demand	Anodyne	BIRC8	46	33
O=C(NC1CC1)[C@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435295	ED	On-Demand	Anodyne	BIRC8	46	33
O=C(NC1CC1)[C@@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435296	ED	On-Demand	Anodyne	BIRC8	46	33
O=C(NC1CC1)[C@@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435297	ED	On-Demand	Anodyne	BIRC8	46	33
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852435300	GB	On-Demand	Reactive	LUXR	16	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852435301	GB	On-Demand	Reactive	LUXR	16	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)c1c[nH]c2ccccc12	ZINC000852435322	DD	On-Demand	Anodyne	SSTR2	44	34
O=C(CN1CC[C@@H](N2CCOC2=O)C1)c1c[nH]c2ccccc12	ZINC000852435322	DD	On-Demand	Anodyne	PDE11A	75	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)c1c[nH]c2ccccc12	ZINC000852435323	DD	On-Demand	Anodyne	SSTR2	44	34
O=C(CN1CC[C@H](N2CCOC2=O)C1)c1c[nH]c2ccccc12	ZINC000852435323	DD	On-Demand	Anodyne	PDE11A	75	35
CNC(=O)[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435354	FC	On-Demand	Anodyne	CCR5	25	45
CNC(=O)[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435354	FC	On-Demand	Anodyne	XIAP	56	35
CNC(=O)[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435354	FC	On-Demand	Anodyne	BIRC3	40	35
CNC(=O)[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435354	FC	On-Demand	Anodyne	BIRC2	57	35
CNC(=O)[C@@H](NC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435354	FC	On-Demand	Anodyne	BIRC8	60	35
CNC(=O)[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435355	FC	On-Demand	Anodyne	CCR5	25	45
CNC(=O)[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435355	FC	On-Demand	Anodyne	XIAP	56	35
CNC(=O)[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435355	FC	On-Demand	Anodyne	BIRC3	40	35
CNC(=O)[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435355	FC	On-Demand	Anodyne	BIRC2	57	35
CNC(=O)[C@@H](NC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852435355	FC	On-Demand	Anodyne	BIRC8	60	35
N#Cc1cccc(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435356	ED	On-Demand	Mild	CCR3	19	44
N#Cc1cccc(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435356	ED	On-Demand	Mild	MCHR1	41	41
N#Cc1cccc(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435357	ED	On-Demand	Mild	CCR3	19	44
N#Cc1cccc(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435357	ED	On-Demand	Mild	MCHR1	41	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc2ccccc12	ZINC000852435358	EE	On-Demand	Anodyne	PDE11A	40	34
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc2ccccc12	ZINC000852435359	EE	On-Demand	Anodyne	PDE11A	40	34
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(C(F)(F)F)cc1	ZINC000852435368	FE	On-Demand	Anodyne	CCR2	15	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(C(F)(F)F)cc1	ZINC000852435368	FE	On-Demand	Anodyne	EPHX2	29	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(C(F)(F)F)cc1	ZINC000852435368	FE	On-Demand	Anodyne	MCHR1	33	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(C(F)(F)F)cc1	ZINC000852435369	FE	On-Demand	Anodyne	CCR2	15	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(C(F)(F)F)cc1	ZINC000852435369	FE	On-Demand	Anodyne	EPHX2	29	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(C(F)(F)F)cc1	ZINC000852435369	FE	On-Demand	Anodyne	MCHR1	33	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000852435376	GC	On-Demand	Anodyne	EDNRA	34	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000852435376	GC	On-Demand	Anodyne	NOS2	68	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000852435376	GC	On-Demand	Anodyne	PDE11A	56	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000852435376	GC	On-Demand	Anodyne	MCHR1	18	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000852435377	GC	On-Demand	Anodyne	EDNRA	34	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000852435377	GC	On-Demand	Anodyne	NOS2	68	32
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000852435377	GC	On-Demand	Anodyne	PDE11A	56	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCOc1ccc2c(c1)OCO2	ZINC000852435377	GC	On-Demand	Anodyne	MCHR1	18	41
C[C@H](C(=O)Nc1nccs1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435396	DC	On-Demand	Anodyne	MAP1	60	35
C[C@@H](C(=O)Nc1nccs1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435397	DC	On-Demand	Anodyne	MAP1	60	35
C[C@@H](C(=O)Nc1nccs1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435398	DC	On-Demand	Anodyne	MAP1	60	35
C[C@H](C(=O)Nc1nccs1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435399	DC	On-Demand	Anodyne	MAP1	60	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)c(Cl)c1	ZINC000852435400	FE	On-Demand	Anodyne	NPY5R	15	48
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)c(Cl)c1	ZINC000852435400	FE	On-Demand	Anodyne	MCHR1	22	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)c(Cl)c1	ZINC000852435401	FE	On-Demand	Anodyne	NPY5R	15	48
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)c(Cl)c1	ZINC000852435401	FE	On-Demand	Anodyne	MCHR1	22	42
COCCOc1ccc(CNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435410	GC	On-Demand	Anodyne	LTA4H	19	42
COCCOc1ccc(CNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435410	GC	On-Demand	Anodyne	PDE11A	43	33
COCCOc1ccc(CNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435411	GC	On-Demand	Anodyne	LTA4H	19	42
COCCOc1ccc(CNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435411	GC	On-Demand	Anodyne	PDE11A	43	33
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA2	53	58
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA1	47	58
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA7	26	41
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA5B	26	41
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA4	46	48
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA5A	30	41
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA14	24	40
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA12	33	43
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	CA9	37	58
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	MTCA1	43	38
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435418	FB	On-Demand	Anodyne	P96878_MYCTU	54	38
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA2	53	58
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA1	47	58
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA7	26	41
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA5B	26	41
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA4	46	48
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA5A	30	41
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA14	24	40
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA12	33	43
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	CA9	37	58
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	MTCA1	43	38
NS(=O)(=O)c1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435419	FB	On-Demand	Anodyne	P96878_MYCTU	54	38
N#Cc1cccc(OCCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435426	DD	On-Demand	Mild	HRH3	49	45
N#Cc1cccc(OCCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435426	DD	On-Demand	Mild	CHRNA10	34	44
N#Cc1cccc(OCCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435426	DD	On-Demand	Mild	MEN1	48	39
N#Cc1cccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435427	DD	On-Demand	Mild	HRH3	49	45
N#Cc1cccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435427	DD	On-Demand	Mild	CHRNA10	34	44
N#Cc1cccc(OCCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435427	DD	On-Demand	Mild	MEN1	48	39
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435452	GD	On-Demand	Bother	KCNMA1	19	43
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435453	GD	On-Demand	Bother	KCNMA1	19	43
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435454	GD	On-Demand	Bother	KCNMA1	19	43
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435455	GD	On-Demand	Bother	KCNMA1	19	43
O=C1OCCN1[C@@H]1CCN(Cc2cc3ccccc3o2)C1	ZINC000852435466	CE	On-Demand	Anodyne	SIGMAR1	16	45
O=C1OCCN1[C@H]1CCN(Cc2cc3ccccc3o2)C1	ZINC000852435467	CE	On-Demand	Anodyne	SIGMAR1	16	45
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N2CCCCC2)nc1	ZINC000852435484	FD	On-Demand	Anodyne	DGAT1	33	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N2CCCCC2)nc1	ZINC000852435485	FD	On-Demand	Anodyne	DGAT1	33	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000852435488	GD	On-Demand	Mild	CCR2	61	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000852435489	GD	On-Demand	Mild	CCR2	61	37
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccnc1Cl	ZINC000852435500	DD	On-Demand	Anodyne	G2YM83_BOTF4	68	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccnc1Cl	ZINC000852435501	DD	On-Demand	Anodyne	G2YM83_BOTF4	68	35
N#Cc1ccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1Cl	ZINC000852435508	ED	On-Demand	Mild	AR	24	45
N#Cc1ccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1Cl	ZINC000852435509	ED	On-Demand	Mild	AR	24	45
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852435516	FF	On-Demand	Anodyne	CCR2	49	44
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852435516	FF	On-Demand	Anodyne	EPHX2	15	42
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852435516	FF	On-Demand	Anodyne	MCHR1	18	42
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852435517	FF	On-Demand	Anodyne	CCR2	49	44
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852435517	FF	On-Demand	Anodyne	EPHX2	15	42
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(C(F)(F)F)c1	ZINC000852435517	FF	On-Demand	Anodyne	MCHR1	18	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435528	EC	On-Demand	Anodyne	PDE5A	23	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435528	EC	On-Demand	Anodyne	NOS2	108	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435528	EC	On-Demand	Anodyne	PDE11A	66	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435528	EC	On-Demand	Anodyne	MCHR1	25	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435528	EC	On-Demand	Anodyne	LUXR	15	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435529	EC	On-Demand	Anodyne	PDE5A	23	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435529	EC	On-Demand	Anodyne	NOS2	108	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435529	EC	On-Demand	Anodyne	PDE11A	66	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435529	EC	On-Demand	Anodyne	MCHR1	25	45
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2	ZINC000852435529	EC	On-Demand	Anodyne	LUXR	15	40
COc1ccc2c(CN3CC[C@@H](N4CCOC4=O)C3)cc(=O)oc2c1	ZINC000852435530	ED	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CC[C@H](N4CCOC4=O)C3)cc(=O)oc2c1	ZINC000852435531	ED	On-Demand	Anodyne	CYP11B1	16	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(Oc2ccccc2)c1	ZINC000852435540	GF	On-Demand	Anodyne	LTA4H	42	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(Oc2ccccc2)c1	ZINC000852435540	GF	On-Demand	Anodyne	ACOX1	18	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(Oc2ccccc2)c1	ZINC000852435540	GF	On-Demand	Anodyne	MCHR1	24	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(Oc2ccccc2)c1	ZINC000852435541	GF	On-Demand	Anodyne	LTA4H	42	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(Oc2ccccc2)c1	ZINC000852435541	GF	On-Demand	Anodyne	ACOX1	18	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(Oc2ccccc2)c1	ZINC000852435541	GF	On-Demand	Anodyne	MCHR1	24	42
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435550	ED	On-Demand	Anodyne	G2YM83_BOTF4	70	36
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435551	ED	On-Demand	Anodyne	G2YM83_BOTF4	70	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NC(=O)Nc1ccccc1	ZINC000852435560	EC	On-Demand	Anodyne	MTOR	52	34
O=C(CN1CC[C@H](N2CCOC2=O)C1)NC(=O)Nc1ccccc1	ZINC000852435561	EC	On-Demand	Anodyne	MTOR	52	34
O=C(CN1CC[C@H](N2CCOC2=O)C1)NC(=O)NCc1ccccc1	ZINC000852435562	EC	On-Demand	Anodyne	SIGMAR1	15	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NC(=O)NCc1ccccc1	ZINC000852435562	EC	On-Demand	Anodyne	PDE11A	56	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)NC(=O)NCc1ccccc1	ZINC000852435562	EC	On-Demand	Anodyne	NPSR1	25	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NC(=O)NCc1ccccc1	ZINC000852435563	EC	On-Demand	Anodyne	SIGMAR1	15	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NC(=O)NCc1ccccc1	ZINC000852435563	EC	On-Demand	Anodyne	PDE11A	56	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NC(=O)NCc1ccccc1	ZINC000852435563	EC	On-Demand	Anodyne	NPSR1	25	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCCc1nc2ccccc2s1	ZINC000852435602	FD	On-Demand	Anodyne	LTA4H	24	52
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCCc1nc2ccccc2s1	ZINC000852435603	FD	On-Demand	Anodyne	LTA4H	24	52
O=C1OCCN1[C@@H]1CCN(CCc2ccc(F)c(F)c2)C1	ZINC000852435618	CE	On-Demand	Anodyne	ABCC1	85	33
O=C1OCCN1[C@@H]1CCN(CCc2ccc(F)c(F)c2)C1	ZINC000852435618	CE	On-Demand	Anodyne	KCNJ1	41	38
O=C1OCCN1[C@H]1CCN(CCc2ccc(F)c(F)c2)C1	ZINC000852435619	CE	On-Demand	Anodyne	ABCC1	85	33
O=C1OCCN1[C@H]1CCN(CCc2ccc(F)c(F)c2)C1	ZINC000852435619	CE	On-Demand	Anodyne	KCNJ1	41	38
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435630	ED	On-Demand	Mild	CCR3	15	40
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435631	ED	On-Demand	Mild	CCR3	15	40
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852435634	FE	On-Demand	Anodyne	TACR3	40	33
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852435635	FE	On-Demand	Anodyne	TACR3	40	33
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852435636	FE	On-Demand	Anodyne	TACR3	40	33
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852435637	FE	On-Demand	Anodyne	TACR3	40	33
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N2CCCC2)cc1	ZINC000852435640	FD	On-Demand	Anodyne	MTOR	44	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N2CCCC2)cc1	ZINC000852435641	FD	On-Demand	Anodyne	MTOR	44	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(F)cc1F	ZINC000852435648	ED	On-Demand	Anodyne	NPY5R	16	49
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(F)cc1F	ZINC000852435649	ED	On-Demand	Anodyne	NPY5R	16	49
O=C1OCCN1[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852435650	ED	On-Demand	Anodyne	HSD17B3	30	46
O=C1OCCN1[C@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)C1	ZINC000852435651	ED	On-Demand	Anodyne	HSD17B3	30	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852435664	GE	On-Demand	Anodyne	ROCK1	17	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852435664	GE	On-Demand	Anodyne	NPY5R	15	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852435665	GE	On-Demand	Anodyne	ROCK1	17	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852435665	GE	On-Demand	Anodyne	NPY5R	15	45
CCOc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435690	GE	On-Demand	Anodyne	CPT1A	62	34
CCOc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435692	GE	On-Demand	Anodyne	CPT1A	62	34
NS(=O)(=O)c1ccc(CCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435727	EC	On-Demand	Anodyne	CA2	26	41
NS(=O)(=O)c1ccc(CCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435727	EC	On-Demand	Anodyne	CA1	27	41
NS(=O)(=O)c1ccc(CCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435727	EC	On-Demand	Anodyne	CA7	18	41
NS(=O)(=O)c1ccc(CCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435727	EC	On-Demand	Anodyne	CA12	22	41
NS(=O)(=O)c1ccc(CCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852435727	EC	On-Demand	Anodyne	CA9	24	41
NS(=O)(=O)c1ccc(CCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435728	EC	On-Demand	Anodyne	CA2	26	41
NS(=O)(=O)c1ccc(CCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435728	EC	On-Demand	Anodyne	CA1	27	41
NS(=O)(=O)c1ccc(CCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435728	EC	On-Demand	Anodyne	CA7	18	41
NS(=O)(=O)c1ccc(CCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435728	EC	On-Demand	Anodyne	CA12	22	41
NS(=O)(=O)c1ccc(CCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852435728	EC	On-Demand	Anodyne	CA9	24	41
COc1ccc2c(c1)CN(C(=O)NC[C@@H](OC)[C@@H]1CCOC1)CCO2	ZINC000852435751	FD	On-Demand	Anodyne	MTNR1A	20	41
COc1ccc2c(c1)CN(C(=O)NC[C@H](OC)[C@@H]1CCOC1)CCO2	ZINC000852435752	FD	On-Demand	Anodyne	MTNR1A	20	41
COc1ccc2c(c1)CN(C(=O)NC[C@H](OC)[C@H]1CCOC1)CCO2	ZINC000852435753	FD	On-Demand	Anodyne	MTNR1A	20	41
COc1ccc2c(c1)CN(C(=O)NC[C@@H](OC)[C@H]1CCOC1)CCO2	ZINC000852435754	FD	On-Demand	Anodyne	MTNR1A	20	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc2c(s1)CCC2	ZINC000852435771	ED	On-Demand	Anodyne	SLC27A1	49	49
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc2c(s1)CCC2	ZINC000852435772	ED	On-Demand	Anodyne	SLC27A1	49	49
O=C1OCCN1[C@H]1CCN(Cc2ccc(CO)cc2)C1	ZINC000852435783	CD	On-Demand	Anodyne	SIGMAR1	18	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc(CO)cc2)C1	ZINC000852435784	CD	On-Demand	Anodyne	SIGMAR1	18	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C1	ZINC000852435787	DD	On-Demand	Anodyne	PDE11A	43	37
O=C1OCCN1[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C1	ZINC000852435787	DD	On-Demand	Anodyne	MCHR1	24	45
O=C1OCCN1[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1	ZINC000852435788	DD	On-Demand	Anodyne	PDE11A	43	37
O=C1OCCN1[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1	ZINC000852435788	DD	On-Demand	Anodyne	MCHR1	24	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000852435837	GC	On-Demand	Anodyne	KCNJ1	47	34
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000852435838	GC	On-Demand	Anodyne	KCNJ1	47	34
O=C1OCCN1[C@@H]1CCN(CCc2nc(O)c3ccccc3n2)C1	ZINC000852435847	ED	On-Demand	Anodyne	PDE11A	41	31
O=C1OCCN1[C@H]1CCN(CCc2nc(O)c3ccccc3n2)C1	ZINC000852435848	ED	On-Demand	Anodyne	PDE11A	41	31
COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435851	EE	On-Demand	Anodyne	CYP3A4	45	33
COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435852	EE	On-Demand	Anodyne	CYP3A4	45	33
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	CHRM2	15	40
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	DRD2	15	45
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	DRD4	42	45
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	ACHE	24	46
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	CHRM3	28	40
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	SIGMAR1	25	44
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	CCR3	45	40
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	NOD2	41	36
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	KCNK3	94	39
O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852435864	FF	On-Demand	Anodyne	KCNK9	50	36
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	CHRM2	15	40
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	DRD2	15	45
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	DRD4	42	45
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	ACHE	24	46
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	CHRM3	28	40
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	SIGMAR1	25	44
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	CCR3	45	40
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	NOD2	41	36
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	KCNK3	94	39
O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852435865	FF	On-Demand	Anodyne	KCNK9	50	36
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1	ZINC000852435881	FE	On-Demand	Anodyne	CD74	43	37
O=C1OCCN1[C@H]1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1	ZINC000852435882	FE	On-Demand	Anodyne	CD74	43	37
O=C1OCCN1[C@@H]1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1	ZINC000852435883	FE	On-Demand	Anodyne	CD74	43	37
O=C1OCCN1[C@H]1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1	ZINC000852435884	FE	On-Demand	Anodyne	CD74	43	37
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CCCCC1	ZINC000852435890	GF	On-Demand	Anodyne	CCR5	27	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CCCCC1	ZINC000852435890	GF	On-Demand	Anodyne	BIRC8	45	31
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CCCCC1	ZINC000852435891	GF	On-Demand	Anodyne	CCR5	27	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CCCCC1	ZINC000852435891	GF	On-Demand	Anodyne	BIRC8	45	31
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CCCCC1	ZINC000852435892	GF	On-Demand	Anodyne	CCR5	27	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CCCCC1	ZINC000852435892	GF	On-Demand	Anodyne	BIRC8	45	31
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CCCCC1	ZINC000852435893	GF	On-Demand	Anodyne	CCR5	27	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CCCCC1	ZINC000852435893	GF	On-Demand	Anodyne	BIRC8	45	31
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CCCC1	ZINC000852435914	FF	On-Demand	Anodyne	CCR5	25	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CCCC1	ZINC000852435914	FF	On-Demand	Anodyne	BIRC8	46	32
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CCCC1	ZINC000852435915	FF	On-Demand	Anodyne	CCR5	25	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CCCC1	ZINC000852435915	FF	On-Demand	Anodyne	BIRC8	46	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CCCC1	ZINC000852435916	FF	On-Demand	Anodyne	CCR5	25	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CCCC1	ZINC000852435916	FF	On-Demand	Anodyne	BIRC8	46	32
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CCCC1	ZINC000852435917	FF	On-Demand	Anodyne	CCR5	25	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CCCC1	ZINC000852435917	FF	On-Demand	Anodyne	BIRC8	46	32
O=C1OCCN1[C@@H]1CCN(Cc2nc(O)c3oc4ccccc4c3n2)C1	ZINC000852435918	FE	On-Demand	Anodyne	PIM1	18	52
O=C1OCCN1[C@@H]1CCN(Cc2nc(O)c3oc4ccccc4c3n2)C1	ZINC000852435918	FE	On-Demand	Anodyne	PIM2	16	52
O=C1OCCN1[C@@H]1CCN(Cc2nc(O)c3oc4ccccc4c3n2)C1	ZINC000852435918	FE	On-Demand	Anodyne	CDC7	18	52
O=C1OCCN1[C@@H]1CCN(Cc2nc(O)c3oc4ccccc4c3n2)C1	ZINC000852435918	FE	On-Demand	Anodyne	PIM3	23	52
O=C1OCCN1[C@H]1CCN(Cc2nc(O)c3oc4ccccc4c3n2)C1	ZINC000852435919	FE	On-Demand	Anodyne	PIM1	18	52
O=C1OCCN1[C@H]1CCN(Cc2nc(O)c3oc4ccccc4c3n2)C1	ZINC000852435919	FE	On-Demand	Anodyne	PIM2	16	52
O=C1OCCN1[C@H]1CCN(Cc2nc(O)c3oc4ccccc4c3n2)C1	ZINC000852435919	FE	On-Demand	Anodyne	CDC7	18	52
O=C1OCCN1[C@H]1CCN(Cc2nc(O)c3oc4ccccc4c3n2)C1	ZINC000852435919	FE	On-Demand	Anodyne	PIM3	23	52
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CC1	ZINC000852435928	ED	On-Demand	Anodyne	CCR5	20	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CC1	ZINC000852435929	ED	On-Demand	Anodyne	CCR5	20	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)C1CC1	ZINC000852435930	ED	On-Demand	Anodyne	CCR5	20	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)C1CC1	ZINC000852435931	ED	On-Demand	Anodyne	CCR5	20	44
C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852435938	GG	On-Demand	Anodyne	CHRM3	15	42
C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852435940	GG	On-Demand	Anodyne	CHRM3	15	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852435946	FD	On-Demand	Anodyne	DRD4	27	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852435947	FD	On-Demand	Anodyne	DRD4	27	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCc2[nH]c3ccccc3c2C1	ZINC000852435966	FD	On-Demand	Anodyne	PDE5A	15	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCc2[nH]c3ccccc3c2C1	ZINC000852435966	FD	On-Demand	Anodyne	SSTR4	50	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCc2[nH]c3ccccc3c2C1	ZINC000852435966	FD	On-Demand	Anodyne	PDE11A	86	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCc2[nH]c3ccccc3c2C1	ZINC000852435967	FD	On-Demand	Anodyne	PDE5A	15	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCc2[nH]c3ccccc3c2C1	ZINC000852435967	FD	On-Demand	Anodyne	SSTR4	50	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCc2[nH]c3ccccc3c2C1	ZINC000852435967	FD	On-Demand	Anodyne	PDE11A	86	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(F)cc1	ZINC000852435972	DC	On-Demand	Anodyne	PDE11A	75	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(F)cc1	ZINC000852435972	DC	On-Demand	Anodyne	NPSR1	24	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(F)cc1	ZINC000852435972	DC	On-Demand	Anodyne	WNT3A	35	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(F)cc1	ZINC000852435973	DC	On-Demand	Anodyne	PDE11A	75	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(F)cc1	ZINC000852435973	DC	On-Demand	Anodyne	NPSR1	24	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(F)cc1	ZINC000852435973	DC	On-Demand	Anodyne	WNT3A	35	40
O=C1OCCN1[C@H]1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1	ZINC000852435995	FH	On-Demand	Anodyne	LTA4H	17	49
O=C1OCCN1[C@H]1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1	ZINC000852435995	FH	On-Demand	Anodyne	CCR3	18	41
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1	ZINC000852435996	FH	On-Demand	Anodyne	LTA4H	17	49
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Oc3ccccc3)c(F)c2)C1	ZINC000852435996	FH	On-Demand	Anodyne	CCR3	18	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc2c(s1)CCCC2	ZINC000852436005	FD	On-Demand	Anodyne	SLC27A1	56	50
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc2c(s1)CCCC2	ZINC000852436006	FD	On-Demand	Anodyne	SLC27A1	56	50
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852436013	GG	On-Demand	Anodyne	LTA4H	82	46
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852436013	GG	On-Demand	Anodyne	NPY5R	17	55
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852436014	GG	On-Demand	Anodyne	LTA4H	82	46
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Oc2ccccc2)cc1	ZINC000852436014	GG	On-Demand	Anodyne	NPY5R	17	55
Cn1ccnc1COc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436015	FE	On-Demand	Anodyne	LTA4H	17	47
Cn1ccnc1COc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436016	FE	On-Demand	Anodyne	LTA4H	17	47
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc2ccccc2s1	ZINC000852436033	ED	On-Demand	Anodyne	LTA4H	28	54
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc2ccccc2s1	ZINC000852436033	ED	On-Demand	Anodyne	CSNK1D	38	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc2ccccc2s1	ZINC000852436033	ED	On-Demand	Anodyne	SLC27A1	34	51
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc2ccccc2s1	ZINC000852436034	ED	On-Demand	Anodyne	LTA4H	28	54
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc2ccccc2s1	ZINC000852436034	ED	On-Demand	Anodyne	CSNK1D	38	45
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc2ccccc2s1	ZINC000852436034	ED	On-Demand	Anodyne	SLC27A1	34	51
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852436049	GH	On-Demand	Anodyne	KCNK3	112	41
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852436049	GH	On-Demand	Anodyne	KCNK9	66	39
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852436050	GH	On-Demand	Anodyne	KCNK3	112	41
C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852436050	GH	On-Demand	Anodyne	KCNK9	66	39
CC(=O)c1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436104	ED	On-Demand	Anodyne	CCR3	31	41
CC(=O)c1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436104	ED	On-Demand	Anodyne	NPY5R	15	51
CC(=O)c1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436105	ED	On-Demand	Anodyne	CCR3	31	41
CC(=O)c1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436105	ED	On-Demand	Anodyne	NPY5R	15	51
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	CA2	49	52
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	CA1	47	52
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	CA7	29	45
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	CA5B	32	45
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	CA4	32	52
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	CA5A	30	45
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	CA12	35	44
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	CA9	38	52
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852436108	GB	On-Demand	Anodyne	A6YCJ1_9METZ	15	42
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	CA2	49	52
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	CA1	47	52
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	CA7	29	45
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	CA5B	32	45
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	CA4	32	52
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	CA5A	30	45
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	CA12	35	44
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	CA9	38	52
NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852436109	GB	On-Demand	Anodyne	A6YCJ1_9METZ	15	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nccs1	ZINC000852436126	CC	On-Demand	Anodyne	MAP1	88	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nccs1	ZINC000852436127	CC	On-Demand	Anodyne	MAP1	88	44
Cc1ccc2ccccc2c1CN1CC[C@H](N2CCOC2=O)C1	ZINC000852436150	DG	On-Demand	Anodyne	PDE11A	50	33
Cc1ccc2ccccc2c1CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852436151	DG	On-Demand	Anodyne	PDE11A	50	33
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852436152	FC	On-Demand	Reactive	DRD4	15	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852436152	FC	On-Demand	Reactive	CACNA1I	36	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852436153	FC	On-Demand	Reactive	DRD4	15	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)NNC(=O)c1cccc(Cl)c1	ZINC000852436153	FC	On-Demand	Reactive	CACNA1I	36	41
N#Cc1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436158	DD	On-Demand	Mild	CCR3	21	45
N#Cc1cccc(NC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436158	DD	On-Demand	Mild	MCHR1	44	42
N#Cc1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436159	DD	On-Demand	Mild	CCR3	21	45
N#Cc1cccc(NC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436159	DD	On-Demand	Mild	MCHR1	44	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc(-c2ccccc2)cs1	ZINC000852436162	FE	On-Demand	Anodyne	CPT1A	35	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc(-c2ccccc2)cs1	ZINC000852436162	FE	On-Demand	Anodyne	ROCK1	20	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc(-c2ccccc2)cs1	ZINC000852436162	FE	On-Demand	Anodyne	NPY5R	16	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc(-c2ccccc2)cs1	ZINC000852436163	FE	On-Demand	Anodyne	CPT1A	35	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc(-c2ccccc2)cs1	ZINC000852436163	FE	On-Demand	Anodyne	ROCK1	20	42
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc(-c2ccccc2)cs1	ZINC000852436163	FE	On-Demand	Anodyne	NPY5R	16	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000852436178	GD	On-Demand	Anodyne	MAPK1	22	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCN(c2ccc(F)cc2)CC1	ZINC000852436179	GD	On-Demand	Anodyne	MAPK1	22	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc2ccc(F)cc2s1	ZINC000852436201	FD	On-Demand	Anodyne	CSNK1D	43	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc2ccc(F)cc2s1	ZINC000852436201	FD	On-Demand	Anodyne	NPY5R	20	46
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1nc2ccc(F)cc2s1	ZINC000852436201	FD	On-Demand	Anodyne	SLC27A1	39	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc2ccc(F)cc2s1	ZINC000852436202	FD	On-Demand	Anodyne	CSNK1D	43	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc2ccc(F)cc2s1	ZINC000852436202	FD	On-Demand	Anodyne	NPY5R	20	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1nc2ccc(F)cc2s1	ZINC000852436202	FD	On-Demand	Anodyne	SLC27A1	39	46
CCOC(=O)c1nc(-c2ccccc2)oc1CN1CC[C@H](N2CCOC2=O)C1	ZINC000852436231	GF	On-Demand	Anodyne	PDE8B	61	39
CCOC(=O)c1nc(-c2ccccc2)oc1CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852436232	GF	On-Demand	Anodyne	PDE8B	61	39
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852436328	FC	On-Demand	Anodyne	PIK3CA	43	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852436328	FC	On-Demand	Anodyne	MTOR	90	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852436329	FC	On-Demand	Anodyne	PIK3CA	43	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852436329	FC	On-Demand	Anodyne	MTOR	90	40
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852436354	GD	On-Demand	Bother	KCNMA1	19	43
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](N2CCOC2=O)C1	ZINC000852436355	GD	On-Demand	Bother	KCNMA1	19	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436356	FE	On-Demand	Anodyne	P2RY1	39	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436356	FE	On-Demand	Anodyne	EPHX2	57	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436356	FE	On-Demand	Anodyne	MCHR1	21	50
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436356	FE	On-Demand	Anodyne	MCHR2	20	40
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436356	FE	On-Demand	Anodyne	TRAR	32	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436357	FE	On-Demand	Anodyne	P2RY1	39	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436357	FE	On-Demand	Anodyne	EPHX2	57	45
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436357	FE	On-Demand	Anodyne	MCHR1	21	50
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436357	FE	On-Demand	Anodyne	MCHR2	20	40
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000852436357	FE	On-Demand	Anodyne	TRAR	32	43
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(Cl)cc1	ZINC000852436358	ED	On-Demand	Anodyne	UL54	42	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)NCc1ccc(Cl)cc1	ZINC000852436358	ED	On-Demand	Anodyne	PDE11A	47	33
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(Cl)cc1	ZINC000852436359	ED	On-Demand	Anodyne	UL54	42	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)NCc1ccc(Cl)cc1	ZINC000852436359	ED	On-Demand	Anodyne	PDE11A	47	33
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NC(c1ccccc1)c1ccccc1	ZINC000852436384	GF	On-Demand	Anodyne	PRCP	29	50
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NC(c1ccccc1)c1ccccc1	ZINC000852436384	GF	On-Demand	Anodyne	CCR5	33	47
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NC(c1ccccc1)c1ccccc1	ZINC000852436384	GF	On-Demand	Anodyne	XIAP	51	36
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NC(c1ccccc1)c1ccccc1	ZINC000852436384	GF	On-Demand	Anodyne	BIRC8	61	38
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NC(c1ccccc1)c1ccccc1	ZINC000852436385	GF	On-Demand	Anodyne	PRCP	29	50
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NC(c1ccccc1)c1ccccc1	ZINC000852436385	GF	On-Demand	Anodyne	CCR5	33	47
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NC(c1ccccc1)c1ccccc1	ZINC000852436385	GF	On-Demand	Anodyne	XIAP	51	36
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NC(c1ccccc1)c1ccccc1	ZINC000852436385	GF	On-Demand	Anodyne	BIRC8	61	38
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436437	EC	On-Demand	Reactive	DRD4	15	43
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436437	EC	On-Demand	Reactive	KCNK3	55	38
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436437	EC	On-Demand	Reactive	KCNK9	44	38
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436438	EC	On-Demand	Reactive	DRD4	15	43
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436438	EC	On-Demand	Reactive	KCNK3	55	38
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436438	EC	On-Demand	Reactive	KCNK9	44	38
O=C1OCCN1[C@@H]1CCN(CCc2cccnc2)C1	ZINC000852436449	CD	On-Demand	Anodyne	PDE11A	33	45
O=C1OCCN1[C@H]1CCN(CCc2cccnc2)C1	ZINC000852436450	CD	On-Demand	Anodyne	PDE11A	33	45
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1Oc1ccccc1	ZINC000852436490	GG	On-Demand	Anodyne	LTA4H	20	43
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1Oc1ccccc1	ZINC000852436491	GG	On-Demand	Anodyne	LTA4H	20	43
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852436510	ED	On-Demand	Mild	AR	20	40
N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852436511	ED	On-Demand	Mild	AR	20	40
N#Cc1c(NC(=O)CCN2CC[C@@H](N3CCOC3=O)C2)sc2c1CCC2	ZINC000852436516	FD	On-Demand	Mild	VIPR1	28	45
N#Cc1c(NC(=O)CCN2CC[C@H](N3CCOC3=O)C2)sc2c1CCC2	ZINC000852436517	FD	On-Demand	Mild	VIPR1	28	45
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852436522	FF	On-Demand	Anodyne	DRD4	18	44
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852436522	FF	On-Demand	Anodyne	NPY5R	16	52
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852436522	FF	On-Demand	Anodyne	MTOR	56	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852436522	FF	On-Demand	Anodyne	SMO	17	43
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852436523	FF	On-Demand	Anodyne	DRD4	18	44
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852436523	FF	On-Demand	Anodyne	NPY5R	16	52
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852436523	FF	On-Demand	Anodyne	MTOR	56	36
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852436523	FF	On-Demand	Anodyne	SMO	17	43
N#C[C@H](C(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1nc2ccccc2s1	ZINC000852436575	FD	On-Demand	Mild	LTA4H	19	49
N#C[C@@H](C(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1nc2ccccc2s1	ZINC000852436576	FD	On-Demand	Mild	LTA4H	19	49
N#C[C@H](C(=O)CN1CC[C@H](N2CCOC2=O)C1)c1nc2ccccc2s1	ZINC000852436577	FD	On-Demand	Mild	LTA4H	19	49
N#C[C@@H](C(=O)CN1CC[C@H](N2CCOC2=O)C1)c1nc2ccccc2s1	ZINC000852436578	FD	On-Demand	Mild	LTA4H	19	49
O=C1OCCN1[C@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1	ZINC000852436614	DD	On-Demand	Anodyne	NOS2	69	34
O=C1OCCN1[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1	ZINC000852436615	DD	On-Demand	Anodyne	NOS2	69	34
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000852436694	GC	On-Demand	Anodyne	KCNJ1	45	36
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000852436695	GC	On-Demand	Anodyne	KCNJ1	45	36
CO[C@H](CNC(=O)N(C)C[C@](C)(O)c1ccccc1)[C@@H]1CCOC1	ZINC000852436762	ED	On-Demand	Anodyne	AMY2	44	31
CO[C@H](CNC(=O)N(C)C[C@](C)(O)c1ccccc1)[C@H]1CCOC1	ZINC000852436763	ED	On-Demand	Anodyne	AMY2	44	31
CO[C@H](CNC(=O)N(C)C[C@@](C)(O)c1ccccc1)[C@@H]1CCOC1	ZINC000852436764	ED	On-Demand	Anodyne	AMY2	44	31
CO[C@H](CNC(=O)N(C)C[C@@](C)(O)c1ccccc1)[C@H]1CCOC1	ZINC000852436765	ED	On-Demand	Anodyne	AMY2	44	31
O=C1OCCN1[C@H]1CCN(CCSc2ccnc3cc(Cl)ccc23)C1	ZINC000852436766	GH	On-Demand	Anodyne	HRP1_PLAFA	110	36
O=C1OCCN1[C@@H]1CCN(CCSc2ccnc3cc(Cl)ccc23)C1	ZINC000852436767	GH	On-Demand	Anodyne	HRP1_PLAFA	110	36
O=C1OCCN1[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436868	EH	On-Demand	Anodyne	DRD4	31	42
O=C1OCCN1[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436868	EH	On-Demand	Anodyne	LTA4H	26	51
O=C1OCCN1[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436868	EH	On-Demand	Anodyne	SIGMAR1	34	40
O=C1OCCN1[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436868	EH	On-Demand	Anodyne	SLC18A3	18	42
O=C1OCCN1[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436868	EH	On-Demand	Anodyne	FAAH	22	45
O=C1OCCN1[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436868	EH	On-Demand	Anodyne	CCR8	32	41
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436869	EH	On-Demand	Anodyne	DRD4	31	42
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436869	EH	On-Demand	Anodyne	LTA4H	26	51
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436869	EH	On-Demand	Anodyne	SIGMAR1	34	40
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436869	EH	On-Demand	Anodyne	SLC18A3	18	42
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436869	EH	On-Demand	Anodyne	FAAH	22	45
O=C1OCCN1[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1	ZINC000852436869	EH	On-Demand	Anodyne	CCR8	32	41
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1	ZINC000852436904	GE	On-Demand	Anodyne	MCHR1	20	41
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1	ZINC000852436905	GE	On-Demand	Anodyne	MCHR1	20	41
COc1cccc(OCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436946	DD	On-Demand	Anodyne	LTA4H	33	49
COc1cccc(OCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436946	DD	On-Demand	Anodyne	HRH3	24	57
COc1cccc(OCCN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852436946	DD	On-Demand	Anodyne	CHRNA10	37	41
COc1cccc(OCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436947	DD	On-Demand	Anodyne	LTA4H	33	49
COc1cccc(OCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436947	DD	On-Demand	Anodyne	HRH3	24	57
COc1cccc(OCCN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852436947	DD	On-Demand	Anodyne	CHRNA10	37	41
O=C1OCCN1[C@H]1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1	ZINC000852436956	FE	On-Demand	Anodyne	SLC16A1	41	31
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1	ZINC000852436957	FE	On-Demand	Anodyne	SLC16A1	41	31
O=C1OCCN1[C@H]1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1	ZINC000852436958	FE	On-Demand	Anodyne	SLC16A1	41	31
O=C1OCCN1[C@@H]1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1	ZINC000852436959	FE	On-Demand	Anodyne	SLC16A1	41	31
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1	ZINC000852436970	FG	On-Demand	Anodyne	LTA4H	15	49
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1	ZINC000852436970	FG	On-Demand	Anodyne	SIGMAR1	24	48
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1	ZINC000852436970	FG	On-Demand	Anodyne	ENPP2	38	40
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1	ZINC000852436971	FG	On-Demand	Anodyne	LTA4H	15	49
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1	ZINC000852436971	FG	On-Demand	Anodyne	SIGMAR1	24	48
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1	ZINC000852436971	FG	On-Demand	Anodyne	ENPP2	38	40
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852437030	GD	On-Demand	Anodyne	P2RX7	17	48
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CC[C@H](N2CCOC2=O)C1	ZINC000852437031	GD	On-Demand	Anodyne	P2RX7	17	48
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1ccccc1C(F)(F)F	ZINC000852437040	FF	On-Demand	Anodyne	RBP4	53	34
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1ccccc1C(F)(F)F	ZINC000852437041	FF	On-Demand	Anodyne	RBP4	53	34
O=C(CCN1CC[C@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852437056	DD	On-Demand	Anodyne	HTR2A	27	51
O=C(CCN1CC[C@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852437056	DD	On-Demand	Anodyne	CYP2J2	46	33
O=C(CCN1CC[C@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852437056	DD	On-Demand	Anodyne	WNT3A	44	31
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852437057	DD	On-Demand	Anodyne	HTR2A	27	51
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852437057	DD	On-Demand	Anodyne	CYP2J2	46	33
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)c1ccc(F)cc1	ZINC000852437057	DD	On-Demand	Anodyne	WNT3A	44	31
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)c1nccs1	ZINC000852437094	GD	On-Demand	Anodyne	BIRC8	56	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@H](c1ccccc1)c1nccs1	ZINC000852437095	GD	On-Demand	Anodyne	BIRC8	56	35
O=C(CN1CC[C@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)c1nccs1	ZINC000852437096	GD	On-Demand	Anodyne	BIRC8	56	35
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N[C@@H](c1ccccc1)c1nccs1	ZINC000852437097	GD	On-Demand	Anodyne	BIRC8	56	35
CC(=O)Oc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852437128	DD	On-Demand	Anodyne	LTA4H	27	49
CC(=O)Oc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852437129	DD	On-Demand	Anodyne	LTA4H	27	49
COC(=O)[C@@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852437152	DD	On-Demand	Anodyne	SLC6A3	25	41
COC(=O)[C@@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852437152	DD	On-Demand	Anodyne	CCR5	18	43
COC(=O)[C@@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852437153	DD	On-Demand	Anodyne	SLC6A3	25	41
COC(=O)[C@@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852437153	DD	On-Demand	Anodyne	CCR5	18	43
O=C(CCN1CC[C@H](N2CCOC2=O)C1)OCc1ccccc1	ZINC000852437164	DD	On-Demand	Anodyne	CCR5	26	42
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)OCc1ccccc1	ZINC000852437165	DD	On-Demand	Anodyne	CCR5	26	42
CCOC(=O)[C@@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852437174	DD	On-Demand	Anodyne	CHRM1	18	40
CCOC(=O)[C@@H](c1ccccc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852437174	DD	On-Demand	Anodyne	CCR5	38	44
CCOC(=O)[C@@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852437175	DD	On-Demand	Anodyne	CHRM1	18	40
CCOC(=O)[C@@H](c1ccccc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852437175	DD	On-Demand	Anodyne	CCR5	38	44
O=C1OCCN1[C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1	ZINC000852437224	ED	On-Demand	Anodyne	SIGMAR1	36	44
O=C1OCCN1[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1	ZINC000852437225	ED	On-Demand	Anodyne	SIGMAR1	36	44
O=C1OCCN1[C@@H]1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852437288	EE	On-Demand	Anodyne	LUCI_PHOPY	57	42
O=C1OCCN1[C@H]1CCN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852437290	EE	On-Demand	Anodyne	LUCI_PHOPY	57	42
O=C1OCCN1[C@@H]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852437292	EE	On-Demand	Anodyne	LUCI_PHOPY	57	42
O=C1OCCN1[C@H]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000852437294	EE	On-Demand	Anodyne	LUCI_PHOPY	57	42
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(F)cc2Cl)C1	ZINC000852437311	EE	On-Demand	Anodyne	P2RX7	15	41
O=C1OCCN1[C@H]1CCN(CCOc2ccc(F)cc2Cl)C1	ZINC000852437313	EE	On-Demand	Anodyne	P2RX7	15	41
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)Nc1cccnc1	ZINC000852437368	DC	On-Demand	Anodyne	CHRNA7	18	42
O=C(CCN1CC[C@H](N2CCOC2=O)C1)Nc1cccnc1	ZINC000852437369	DC	On-Demand	Anodyne	CHRNA7	18	42
Cc1ccc(C(=O)CCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852437373	DE	On-Demand	Anodyne	CYP2J2	51	44
Cc1ccc(C(=O)CCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852437374	DE	On-Demand	Anodyne	CYP2J2	51	44
O=C1OCCN1[C@H]1CCN(Cc2ccc3ncccc3c2)C1	ZINC000852437375	CE	On-Demand	Anodyne	CCR3	25	45
O=C1OCCN1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1	ZINC000852437376	CE	On-Demand	Anodyne	CCR3	25	45
O=C(CN1CC[C@@H](N2CCOC2=O)C1)N1CCC(OCc2ccccc2)CC1	ZINC000852437430	GD	On-Demand	Anodyne	GRIN2B	18	42
O=C(CN1CC[C@H](N2CCOC2=O)C1)N1CCC(OCc2ccccc2)CC1	ZINC000852437431	GD	On-Demand	Anodyne	GRIN2B	18	42
O=C(CCN1CC[C@H](N2CCOC2=O)C1)c1ccc2c(c1)OCCO2	ZINC000852437508	ED	On-Demand	Anodyne	PDE11A	57	39
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)c1ccc2c(c1)OCCO2	ZINC000852437510	ED	On-Demand	Anodyne	PDE11A	57	39
O=C(Cc1ccccc1)OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852437607	DD	On-Demand	Anodyne	SLC6A1	40	38
O=C(Cc1ccccc1)OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852437607	DD	On-Demand	Anodyne	LTA4H	25	45
O=C(Cc1ccccc1)OCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852437607	DD	On-Demand	Anodyne	CCR5	15	42
O=C(Cc1ccccc1)OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852437609	DD	On-Demand	Anodyne	SLC6A1	40	38
O=C(Cc1ccccc1)OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852437609	DD	On-Demand	Anodyne	LTA4H	25	45
O=C(Cc1ccccc1)OCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852437609	DD	On-Demand	Anodyne	CCR5	15	42
CO[C@H](CNC(=O)N1CCN(c2ccnc(F)c2)CC1)[C@H]1CCOC1	ZINC000852437625	FD	On-Demand	Anodyne	CCR2	17	41
CO[C@H](CNC(=O)N1CCN(c2ccnc(F)c2)CC1)[C@@H]1CCOC1	ZINC000852437627	FD	On-Demand	Anodyne	CCR2	17	41
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852437637	FE	On-Demand	Anodyne	TMPRSS6	40	32
C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852437638	FE	On-Demand	Anodyne	TMPRSS6	40	32
C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852437639	FE	On-Demand	Anodyne	TMPRSS6	40	32
C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852437640	FE	On-Demand	Anodyne	TMPRSS6	40	32
O=C1OCCN1[C@@H]1CCN(CCn2cnc3ccccc3c2=O)C1	ZINC000852437653	EC	On-Demand	Anodyne	PDE11A	41	31
O=C1OCCN1[C@H]1CCN(CCn2cnc3ccccc3c2=O)C1	ZINC000852437654	EC	On-Demand	Anodyne	PDE11A	41	31
O=C1OCCN1[C@@H]1CCN(CCOc2ccccc2Br)C1	ZINC000852437671	FE	On-Demand	Anodyne	LTA4H	19	49
O=C1OCCN1[C@H]1CCN(CCOc2ccccc2Br)C1	ZINC000852437672	FE	On-Demand	Anodyne	LTA4H	19	49
O=C(CCN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852437692	CD	On-Demand	Anodyne	SLC6A1	70	37
O=C(CCN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852437692	CD	On-Demand	Anodyne	CYP2J2	54	38
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852437693	CD	On-Demand	Anodyne	SLC6A1	70	37
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852437693	CD	On-Demand	Anodyne	CYP2J2	54	38
COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-]	ZINC000852437700	DD	On-Demand	Bother	DRD4	16	41
COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-]	ZINC000852437700	DD	On-Demand	Bother	SSTR5	24	40
COc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-]	ZINC000852437701	DD	On-Demand	Bother	DRD4	16	41
COc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-]	ZINC000852437701	DD	On-Demand	Bother	SSTR5	24	40
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	HTR1A	68	52
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	DRD2	37	49
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	DRD4	28	45
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	HTR2A	39	48
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	ADRA1A	20	43
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	ADRA1B	19	43
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	DRD3	35	45
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	DRD5	19	44
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	HTR7	67	44
O=C1OCCN1[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437834	FD	On-Demand	Anodyne	SIGMAR1	22	44
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	HTR1A	68	52
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	DRD2	37	49
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	DRD4	28	45
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	HTR2A	39	48
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	ADRA1A	20	43
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	ADRA1B	19	43
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	DRD3	35	45
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	DRD5	19	44
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	HTR7	67	44
O=C1OCCN1[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1	ZINC000852437835	FD	On-Demand	Anodyne	SIGMAR1	22	44
CCOC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852437852	FE	On-Demand	Anodyne	CYP3A4	45	33
CCOC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852437853	FE	On-Demand	Anodyne	CYP3A4	45	33
O=C1OCCN1[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1	ZINC000852437868	CF	On-Demand	Anodyne	CXCR3	32	40
O=C1OCCN1[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1	ZINC000852437869	CF	On-Demand	Anodyne	CXCR3	32	40
O=C1OCCN1[C@H]1CCN(Cc2cccc(SCc3ccccc3)c2)C1	ZINC000852437912	FI	On-Demand	Anodyne	SIGMAR1	21	41
O=C1OCCN1[C@@H]1CCN(Cc2cccc(SCc3ccccc3)c2)C1	ZINC000852437913	FI	On-Demand	Anodyne	SIGMAR1	21	41
O=C1OCCN1[C@H]1CCN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852437924	ED	On-Demand	Anodyne	SIGMAR1	30	41
O=C1OCCN1[C@@H]1CCN(Cc2cn(Cc3ccccc3)nn2)C1	ZINC000852437925	ED	On-Demand	Anodyne	SIGMAR1	30	41
O=C1OCCN1[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000852437962	FD	On-Demand	Anodyne	DRD4	30	44
O=C1OCCN1[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000852437963	FD	On-Demand	Anodyne	DRD4	30	44
O=C1OCCN1[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000852437964	FD	On-Demand	Anodyne	DRD4	30	44
O=C1OCCN1[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1	ZINC000852437965	FD	On-Demand	Anodyne	DRD4	30	44
COc1cccc(OC)c1OCCCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852437980	FE	On-Demand	Anodyne	HTR1A	41	40
COc1cccc(OC)c1OCCCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852437981	FE	On-Demand	Anodyne	HTR1A	41	40
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)CCc2ccccc2)C1	ZINC000852437992	DD	On-Demand	Anodyne	ABCB1	26	40
O=C1OCCN1[C@H]1CCN(C[C@@H](O)CCc2ccccc2)C1	ZINC000852437993	DD	On-Demand	Anodyne	ABCB1	26	40
O=C1OCCN1[C@@H]1CCN(C[C@H](O)CCc2ccccc2)C1	ZINC000852437994	DD	On-Demand	Anodyne	ABCB1	26	40
O=C1OCCN1[C@H]1CCN(C[C@H](O)CCc2ccccc2)C1	ZINC000852437995	DD	On-Demand	Anodyne	ABCB1	26	40
O=C(CCCN1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1	ZINC000852438038	GF	On-Demand	Anodyne	HTR2A	17	47
O=C(CCCN1CC[C@H](N2CCOC2=O)C1)c1ccc(Br)cc1	ZINC000852438038	GF	On-Demand	Anodyne	CYP2J2	57	40
O=C(CCCN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1	ZINC000852438039	GF	On-Demand	Anodyne	HTR2A	17	47
O=C(CCCN1CC[C@@H](N2CCOC2=O)C1)c1ccc(Br)cc1	ZINC000852438039	GF	On-Demand	Anodyne	CYP2J2	57	40
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852438060	GF	On-Demand	Anodyne	CHRM4	15	42
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852438060	GF	On-Demand	Anodyne	GRIN2B	43	47
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852438060	GF	On-Demand	Anodyne	TGM2	24	40
O=C(OCc1ccccc1)N1CCC(CN2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852438060	GF	On-Demand	Anodyne	F13A1	29	40
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852438061	GF	On-Demand	Anodyne	CHRM4	15	42
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852438061	GF	On-Demand	Anodyne	GRIN2B	43	47
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852438061	GF	On-Demand	Anodyne	TGM2	24	40
O=C(OCc1ccccc1)N1CCC(CN2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852438061	GF	On-Demand	Anodyne	F13A1	29	40
O=C1OCCN1[C@H]1CCN(CCCOCc2ccccc2)C1	ZINC000852438064	DE	On-Demand	Anodyne	LTA4H	15	43
O=C1OCCN1[C@@H]1CCN(CCCOCc2ccccc2)C1	ZINC000852438065	DE	On-Demand	Anodyne	LTA4H	15	43
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852438156	FF	On-Demand	Anodyne	GPR119	31	45
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852438157	FF	On-Demand	Anodyne	GPR119	31	45
Cc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1C	ZINC000852438160	CE	On-Demand	Anodyne	DRD4	28	44
Cc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1C	ZINC000852438161	CE	On-Demand	Anodyne	DRD4	28	44
O=C1OCCN1[C@@H]1CCN(CCOc2ccc(Cl)c(F)c2)C1	ZINC000852438186	EE	On-Demand	Anodyne	LTA4H	29	48
O=C1OCCN1[C@H]1CCN(CCOc2ccc(Cl)c(F)c2)C1	ZINC000852438187	EE	On-Demand	Anodyne	LTA4H	29	48
O=C1OCCN1[C@@H]1CCN(Cc2ccc(C3CCCC3)cc2)C1	ZINC000852438210	DG	On-Demand	Anodyne	S1PR5	20	41
O=C1OCCN1[C@H]1CCN(Cc2ccc(C3CCCC3)cc2)C1	ZINC000852438211	DG	On-Demand	Anodyne	S1PR5	20	41
CO[C@@H](CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852438214	CD	On-Demand	Anodyne	CCR5	18	50
CO[C@@H](CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852438215	CD	On-Demand	Anodyne	CCR5	18	50
O=C1OCCN1[C@H]1CCN(Cc2cncc3ccccc23)C1	ZINC000852438323	CE	On-Demand	Anodyne	PDE11A	66	33
O=C1OCCN1[C@@H]1CCN(Cc2cncc3ccccc23)C1	ZINC000852438324	CE	On-Demand	Anodyne	PDE11A	66	33
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000852438361	FC	On-Demand	Bother	ABCB1	52	41
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000852438362	FC	On-Demand	Bother	ABCB1	52	41
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000852438363	FC	On-Demand	Bother	ABCB1	52	41
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000852438364	FC	On-Demand	Bother	ABCB1	52	41
O=C1OCCN1[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438371	DD	On-Demand	Anodyne	DRD4	35	41
O=C1OCCN1[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438371	DD	On-Demand	Anodyne	ACHE	27	40
O=C1OCCN1[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438371	DD	On-Demand	Anodyne	SIGMAR1	54	43
O=C1OCCN1[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438371	DD	On-Demand	Anodyne	SLC18A3	24	40
O=C1OCCN1[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438372	DD	On-Demand	Anodyne	DRD4	35	41
O=C1OCCN1[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438372	DD	On-Demand	Anodyne	ACHE	27	40
O=C1OCCN1[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438372	DD	On-Demand	Anodyne	SIGMAR1	54	43
O=C1OCCN1[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438372	DD	On-Demand	Anodyne	SLC18A3	24	40
O=C1OCCN1[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438373	DD	On-Demand	Anodyne	DRD4	35	41
O=C1OCCN1[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438373	DD	On-Demand	Anodyne	ACHE	27	40
O=C1OCCN1[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438373	DD	On-Demand	Anodyne	SIGMAR1	54	43
O=C1OCCN1[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438373	DD	On-Demand	Anodyne	SLC18A3	24	40
O=C1OCCN1[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438374	DD	On-Demand	Anodyne	DRD4	35	41
O=C1OCCN1[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438374	DD	On-Demand	Anodyne	ACHE	27	40
O=C1OCCN1[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438374	DD	On-Demand	Anodyne	SIGMAR1	54	43
O=C1OCCN1[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1	ZINC000852438374	DD	On-Demand	Anodyne	SLC18A3	24	40
O=C1OCCN1[C@@H]1CCN(Cc2cc(Cl)nc3ccccc23)C1	ZINC000852438379	EF	On-Demand	Anodyne	PDE11A	73	37
O=C1OCCN1[C@H]1CCN(Cc2cc(Cl)nc3ccccc23)C1	ZINC000852438380	EF	On-Demand	Anodyne	PDE11A	73	37
Cc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1Br	ZINC000852438393	EF	On-Demand	Anodyne	DRD4	21	40
Cc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1Br	ZINC000852438394	EF	On-Demand	Anodyne	DRD4	21	40
CCOc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-]	ZINC000852438395	EE	On-Demand	Bother	SSTR5	64	41
CCOc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-]	ZINC000852438396	EE	On-Demand	Bother	SSTR5	64	41
O=C1OCCN1[C@H]1CCN(Cc2ccc(-c3cccs3)cc2)C1	ZINC000852438450	EG	On-Demand	Anodyne	DRD4	22	49
O=C1OCCN1[C@@H]1CCN(Cc2ccc(-c3cccs3)cc2)C1	ZINC000852438451	EG	On-Demand	Anodyne	DRD4	22	49
CN(C)[C@@H](CNC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852438460	FC	On-Demand	Anodyne	OPRK1	25	40
CN(C)[C@@H](CNC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852438460	FC	On-Demand	Anodyne	CCR5	26	49
CN(C)[C@@H](CNC(=O)CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852438460	FC	On-Demand	Anodyne	BIRC8	44	31
CN(C)[C@@H](CNC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852438461	FC	On-Demand	Anodyne	OPRK1	25	40
CN(C)[C@@H](CNC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852438461	FC	On-Demand	Anodyne	CCR5	26	49
CN(C)[C@@H](CNC(=O)CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852438461	FC	On-Demand	Anodyne	BIRC8	44	31
O=C1OCCN1[C@H]1CCN(CC#Cc2ccccc2)C1	ZINC000852438464	CD	On-Demand	Mild	GRIN2C	17	41
O=C1OCCN1[C@@H]1CCN(CC#Cc2ccccc2)C1	ZINC000852438465	CD	On-Demand	Mild	GRIN2C	17	41
O=C1OCCN1[C@H]1CCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852438546	ED	On-Demand	Anodyne	PDE11A	42	31
O=C1OCCN1[C@@H]1CCN(CCS(=O)(=O)Cc2ccccc2)C1	ZINC000852438547	ED	On-Demand	Anodyne	PDE11A	42	31
O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852438548	GE	On-Demand	Anodyne	HTR1A	15	48
O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852438549	GE	On-Demand	Anodyne	HTR1A	15	48
O=C1OCCN1[C@H]1CCN(Cc2cnnn2-c2ccccc2)C1	ZINC000852438584	DD	On-Demand	Anodyne	PDE11A	65	34
O=C1OCCN1[C@@H]1CCN(Cc2cnnn2-c2ccccc2)C1	ZINC000852438585	DD	On-Demand	Anodyne	PDE11A	65	34
O=C1OCCN1[C@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438590	CF	On-Demand	Anodyne	DRD2	15	49
O=C1OCCN1[C@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438590	CF	On-Demand	Anodyne	DRD4	18	43
O=C1OCCN1[C@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438590	CF	On-Demand	Anodyne	OPRM1	15	44
O=C1OCCN1[C@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438590	CF	On-Demand	Anodyne	CHRM3	20	41
O=C1OCCN1[C@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438590	CF	On-Demand	Anodyne	SIGMAR1	65	50
O=C1OCCN1[C@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438590	CF	On-Demand	Anodyne	PDE11A	69	34
O=C1OCCN1[C@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438590	CF	On-Demand	Anodyne	CYP2J2	47	36
O=C1OCCN1[C@@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438591	CF	On-Demand	Anodyne	DRD2	15	49
O=C1OCCN1[C@@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438591	CF	On-Demand	Anodyne	DRD4	18	43
O=C1OCCN1[C@@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438591	CF	On-Demand	Anodyne	OPRM1	15	44
O=C1OCCN1[C@@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438591	CF	On-Demand	Anodyne	CHRM3	20	41
O=C1OCCN1[C@@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438591	CF	On-Demand	Anodyne	SIGMAR1	65	50
O=C1OCCN1[C@@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438591	CF	On-Demand	Anodyne	PDE11A	69	34
O=C1OCCN1[C@@H]1CCN(CCCCc2ccccc2)C1	ZINC000852438591	CF	On-Demand	Anodyne	CYP2J2	47	36
O=C1OCCN1[C@@H]1CCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852438592	CD	On-Demand	Anodyne	SLC6A3	16	46
O=C1OCCN1[C@@H]1CCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852438592	CD	On-Demand	Anodyne	CCR5	38	55
O=C1OCCN1[C@H]1CCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852438593	CD	On-Demand	Anodyne	SLC6A3	16	46
O=C1OCCN1[C@H]1CCN(CC[C@@H](O)c2ccccc2)C1	ZINC000852438593	CD	On-Demand	Anodyne	CCR5	38	55
Cc1cc(F)ccc1CN1CC[C@H](N2CCOC2=O)C1	ZINC000852438594	CE	On-Demand	Anodyne	P2RX7	22	43
Cc1cc(F)ccc1CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852438595	CE	On-Demand	Anodyne	P2RX7	22	43
O=C(CCN1CC[C@H](N2CCOC2=O)C1)NCC(=O)c1ccccc1	ZINC000852438622	EC	On-Demand	Anodyne	CYP2J2	46	32
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)NCC(=O)c1ccccc1	ZINC000852438623	EC	On-Demand	Anodyne	CYP2J2	46	32
O=C1OCCN1[C@H]1CCN([C@@H]2CCc3ccccc32)C1	ZINC000852438680	CE	On-Demand	Anodyne	OPRL1	17	42
O=C1OCCN1[C@@H]1CCN([C@H]2CCc3ccccc32)C1	ZINC000852438681	CE	On-Demand	Anodyne	OPRL1	17	42
O=C1OCCN1[C@@H]1CCN([C@@H]2CCc3ccccc32)C1	ZINC000852438682	CE	On-Demand	Anodyne	OPRL1	17	42
O=C1OCCN1[C@H]1CCN([C@H]2CCc3ccccc32)C1	ZINC000852438683	CE	On-Demand	Anodyne	OPRL1	17	42
O=C1OCCN1[C@H]1CCN(CCCc2cccc(F)c2)C1	ZINC000852438690	CE	On-Demand	Anodyne	SIGMAR1	21	45
O=C1OCCN1[C@H]1CCN(CCCc2cccc(F)c2)C1	ZINC000852438690	CE	On-Demand	Anodyne	PDE11A	49	32
O=C1OCCN1[C@@H]1CCN(CCCc2cccc(F)c2)C1	ZINC000852438691	CE	On-Demand	Anodyne	SIGMAR1	21	45
O=C1OCCN1[C@@H]1CCN(CCCc2cccc(F)c2)C1	ZINC000852438691	CE	On-Demand	Anodyne	PDE11A	49	32
O=C(c1ccccc1)N1CC[C@@H](CN2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852438740	ED	On-Demand	Anodyne	L3MBTL3	55	36
O=C(c1ccccc1)N1CC[C@H](CN2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852438741	ED	On-Demand	Anodyne	L3MBTL3	55	36
O=C(c1ccccc1)N1CC[C@@H](CN2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852438742	ED	On-Demand	Anodyne	L3MBTL3	55	36
O=C(c1ccccc1)N1CC[C@H](CN2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852438743	ED	On-Demand	Anodyne	L3MBTL3	55	36
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852438774	FF	On-Demand	Anodyne	SLC6A3	16	46
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852438774	FF	On-Demand	Anodyne	TACR2	52	36
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852438774	FF	On-Demand	Anodyne	TACR3	46	36
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852438777	FF	On-Demand	Anodyne	SLC6A3	16	46
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852438777	FF	On-Demand	Anodyne	TACR2	52	36
COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852438777	FF	On-Demand	Anodyne	TACR3	46	36
O=C1OCCN1[C@@H]1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C1	ZINC000852438814	FD	On-Demand	Anodyne	ABCB1	56	39
O=C1OCCN1[C@@H]1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)C1	ZINC000852438815	FD	On-Demand	Anodyne	ABCB1	56	39
O=C1OCCN1[C@H]1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)C1	ZINC000852438816	FD	On-Demand	Anodyne	ABCB1	56	39
O=C1OCCN1[C@H]1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)C1	ZINC000852438817	FD	On-Demand	Anodyne	ABCB1	56	39
N#Cc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1F	ZINC000852438830	CD	On-Demand	Mild	KCNJ1	28	43
N#Cc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1F	ZINC000852438831	CD	On-Demand	Mild	KCNJ1	28	43
COC(=O)/C=C\c1ccc(OCCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852438864	FD	On-Demand	Anodyne	LTA4H	21	45
COC(=O)/C=C\c1ccc(OCCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852438866	FD	On-Demand	Anodyne	LTA4H	21	45
O=C1OCCN1[C@H]1CCN(C[C@H](O)c2ccccc2Cl)C1	ZINC000852438868	DD	On-Demand	Anodyne	OPRL1	45	38
O=C1OCCN1[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)C1	ZINC000852438869	DD	On-Demand	Anodyne	OPRL1	45	38
O=C1OCCN1[C@H]1CCN(Cc2cc3ccccc3c(Cl)n2)C1	ZINC000852438892	EF	On-Demand	Anodyne	PDE11A	64	34
O=C1OCCN1[C@@H]1CCN(Cc2cc3ccccc3c(Cl)n2)C1	ZINC000852438893	EF	On-Demand	Anodyne	PDE11A	64	34
CCCOc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852438898	DF	On-Demand	Anodyne	HRH2	29	41
CCCOc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852438899	DF	On-Demand	Anodyne	HRH2	29	41
O=C1OCCN1[C@H]1CCN(CC2CCC(c3ccccc3)CC2)C1	ZINC000852438900	EG	On-Demand	Anodyne	CCR5	19	43
O=C1OCCN1[C@@H]1CCN(CC2CCC(c3ccccc3)CC2)C1	ZINC000852438901	EG	On-Demand	Anodyne	CCR5	19	43
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1	ZINC000852438904	CF	On-Demand	Anodyne	CXCR3	26	45
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C1	ZINC000852438905	CF	On-Demand	Anodyne	CXCR3	26	45
O=C(CCN1CC[C@H](N2CCOC2=O)C1)N1CCc2ccccc2C1	ZINC000852438920	ED	On-Demand	Anodyne	HTR7	15	43
O=C(CCN1CC[C@@H](N2CCOC2=O)C1)N1CCc2ccccc2C1	ZINC000852438921	ED	On-Demand	Anodyne	HTR7	15	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc(C(F)(F)F)c1	ZINC000852438957	GH	On-Demand	Anodyne	HSD17B2	20	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc(C(F)(F)F)c1	ZINC000852438957	GH	On-Demand	Anodyne	AOC3	17	54
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc(C(F)(F)F)c1	ZINC000852438957	GH	On-Demand	Anodyne	PDS	40	34
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc(C(F)(F)F)c1	ZINC000852438960	GH	On-Demand	Anodyne	HSD17B2	20	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc(C(F)(F)F)c1	ZINC000852438960	GH	On-Demand	Anodyne	AOC3	17	54
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc(C(F)(F)F)c1	ZINC000852438960	GH	On-Demand	Anodyne	PDS	40	34
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccc(Cl)nc1	ZINC000852438961	GF	On-Demand	Anodyne	MTNR1A	21	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccc(Cl)nc1	ZINC000852438961	GF	On-Demand	Anodyne	MTNR1B	25	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ncc(C)s1	ZINC000852439026	DF	On-Demand	Anodyne	HSD17B2	27	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCF	ZINC000852439044	CD	On-Demand	Anodyne	MTNR1A	39	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCF	ZINC000852439044	CD	On-Demand	Anodyne	MTNR1B	37	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCF	ZINC000852439044	CD	On-Demand	Anodyne	HSD17B2	24	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCF	ZINC000852439044	CD	On-Demand	Anodyne	AOC3	16	48
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852439055	GE	On-Demand	Anodyne	ENPP1	70	35
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(Cl)ccc1OCC#N	ZINC000852439067	GH	On-Demand	Mild	TSPO	40	32
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(Cl)nc(Cl)c1	ZINC000852439070	FH	On-Demand	Anodyne	MTNR1A	35	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(Cl)nc(Cl)c1	ZINC000852439070	FH	On-Demand	Anodyne	MTNR1B	35	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(Cl)nc(Cl)c1	ZINC000852439070	FH	On-Demand	Anodyne	AOC3	15	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000852439096	GH	On-Demand	Bother	CACNA1C	42	34
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000852439096	GH	On-Demand	Bother	CACNA1D	65	34
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000852439096	GH	On-Demand	Bother	TAAR1	21	41
C=C(Br)CN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439222	EF	On-Demand	Mild	AOC3	15	46
C=C(Br)CN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439223	EF	On-Demand	Mild	AOC3	15	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cccc(Cl)n1	ZINC000852439229	EG	On-Demand	Anodyne	AOC3	15	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(N(C)C)cc1	ZINC000852439231	EG	On-Demand	Clean	MTNR1A	36	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(N(C)C)cc1	ZINC000852439231	EG	On-Demand	Clean	MTNR1B	37	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(N(C)C)cc1	ZINC000852439231	EG	On-Demand	Clean	HSD17B2	26	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(N(C)C)cc1	ZINC000852439231	EG	On-Demand	Clean	AOC3	18	46
COCCc1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852439315	FD	On-Demand	Anodyne	ADRB1	21	43
COCCc1ccc(OC[C@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852439315	FD	On-Demand	Anodyne	ABCB1	40	38
COCCc1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852439316	FD	On-Demand	Anodyne	ADRB1	21	43
COCCc1ccc(OC[C@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852439316	FD	On-Demand	Anodyne	ABCB1	40	38
COCCc1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852439317	FD	On-Demand	Anodyne	ADRB1	21	43
COCCc1ccc(OC[C@@H](O)CN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852439317	FD	On-Demand	Anodyne	ABCB1	40	38
COCCc1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852439318	FD	On-Demand	Anodyne	ADRB1	21	43
COCCc1ccc(OC[C@@H](O)CN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852439318	FD	On-Demand	Anodyne	ABCB1	40	38
O=C1OCCN1[C@@H]1CCN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000852439321	ED	On-Demand	Anodyne	HRH3	15	42
O=C1OCCN1[C@H]1CCN(Cc2ccc(CN3CCOCC3)cc2)C1	ZINC000852439322	ED	On-Demand	Anodyne	HRH3	15	42
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@H](N3CCOC3=O)C2)CC1	ZINC000852439323	GF	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@@H](N3CCOC3=O)C2)CC1	ZINC000852439324	GF	On-Demand	Anodyne	GPR119	29	46
CC(=O)c1ccccc1NC(=O)CCCN1CC[C@H](N2CCOC2=O)C1	ZINC000852439329	FE	On-Demand	Anodyne	CYP2J2	44	31
CC(=O)c1ccccc1NC(=O)CCCN1CC[C@@H](N2CCOC2=O)C1	ZINC000852439330	FE	On-Demand	Anodyne	CYP2J2	44	31
C#CCNC(=O)CN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439345	DC	On-Demand	Mild	MTNR1B	35	43
C#CCNC(=O)CN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439346	DC	On-Demand	Mild	MTNR1B	35	43
O=C1OCCN1[C@H]1CCN(CCOCc2ccccc2)C1	ZINC000852439348	CD	On-Demand	Anodyne	LTA4H	21	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NCCC#N	ZINC000852439349	DC	On-Demand	Mild	DRD4	40	30
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NCCC#N	ZINC000852439349	DC	On-Demand	Mild	MTNR1A	43	38
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NCCC#N	ZINC000852439349	DC	On-Demand	Mild	MTNR1B	41	38
O=C1OCCN1[C@@H]1CCN(CCOCc2ccccc2)C1	ZINC000852439350	CD	On-Demand	Anodyne	LTA4H	21	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(F)cc1C#N	ZINC000852439351	EG	On-Demand	Mild	TAAR1	19	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](C)CBr	ZINC000852439355	EF	On-Demand	Reactive	AOC3	19	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](C)CBr	ZINC000852439359	EF	On-Demand	Reactive	AOC3	19	51
O=C1OCCN1[C@@H]1CCN(Cc2ccc(OCc3ccccc3)nc2)C1	ZINC000852439374	FF	On-Demand	Anodyne	LTA4H	15	48
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCNC(=O)OC(C)(C)C	ZINC000852439375	FE	On-Demand	Anodyne	NQO2	18	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCNC(=O)OC(C)(C)C	ZINC000852439375	FE	On-Demand	Anodyne	MTNR1A	46	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCNC(=O)OC(C)(C)C	ZINC000852439375	FE	On-Demand	Anodyne	MTNR1B	43	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852439377	GH	On-Demand	Bother	TAAR1	23	49
O=C1OCCN1[C@H]1CCN(Cc2ccc(OCc3ccccc3)nc2)C1	ZINC000852439379	FF	On-Demand	Anodyne	LTA4H	15	48
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(C#N)cc1	ZINC000852439393	FE	On-Demand	Mild	AOC3	26	54
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(C#N)cc1	ZINC000852439394	FE	On-Demand	Mild	AOC3	26	54
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCCNC(=O)C(F)(F)F	ZINC000852439407	FD	On-Demand	Anodyne	NQO2	17	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCCNC(=O)C(F)(F)F	ZINC000852439407	FD	On-Demand	Anodyne	MTNR1A	37	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCCNC(=O)C(F)(F)F	ZINC000852439407	FD	On-Demand	Anodyne	MTNR1B	37	40
COc1cc(C(=O)NNC(=O)NC[C@H](OC)[C@@H]2CCOC2)ccc1OC(C)C	ZINC000852439430	GD	On-Demand	Reactive	PDE4D	18	43
COc1cc(C(=O)NNC(=O)NC[C@@H](OC)[C@@H]2CCOC2)ccc1OC(C)C	ZINC000852439432	GD	On-Demand	Reactive	PDE4D	18	43
COc1cc(C(=O)NNC(=O)NC[C@@H](OC)[C@H]2CCOC2)ccc1OC(C)C	ZINC000852439433	GD	On-Demand	Reactive	PDE4D	18	43
COc1cc(C(=O)NNC(=O)NC[C@H](OC)[C@H]2CCOC2)ccc1OC(C)C	ZINC000852439434	GD	On-Demand	Reactive	PDE4D	18	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(Cl)cc1	ZINC000852439458	FG	On-Demand	Anodyne	UL54	35	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(Cl)cc1	ZINC000852439458	FG	On-Demand	Anodyne	AOC3	29	54
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(Cl)cc1	ZINC000852439458	FG	On-Demand	Anodyne	UTS2	52	39
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(C)=O	ZINC000852439473	CD	On-Demand	Anodyne	MTNR1A	53	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(C)=O	ZINC000852439473	CD	On-Demand	Anodyne	MTNR1B	51	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(C)=O	ZINC000852439473	CD	On-Demand	Anodyne	AOC3	15	47
CCCS(=O)(=O)CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439475	ED	On-Demand	Anodyne	MTNR1A	42	43
CCCS(=O)(=O)CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439475	ED	On-Demand	Anodyne	MTNR1B	39	43
CCCS(=O)(=O)CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439476	ED	On-Demand	Anodyne	MTNR1A	42	43
CCCS(=O)(=O)CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439476	ED	On-Demand	Anodyne	MTNR1B	39	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1nc2ccccc2[nH]1	ZINC000852439497	EF	On-Demand	Anodyne	CXCR4	32	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1nc2ccccc2[nH]1	ZINC000852439497	EF	On-Demand	Anodyne	PIN1	37	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1nc2ccccc2[nH]1	ZINC000852439497	EF	On-Demand	Anodyne	CACNA1G	22	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852439508	FE	On-Demand	Bother	CACNA1C	51	37
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852439508	FE	On-Demand	Bother	CACNA1D	79	36
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852439510	FE	On-Demand	Bother	CACNA1C	51	37
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852439510	FE	On-Demand	Bother	CACNA1D	79	36
COc1ccc(N2CCC(NC(=O)NC[C@H](OC)[C@@H]3CCOC3)CC2)cc1	ZINC000852439534	GE	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CCC(NC(=O)NC[C@@H](OC)[C@@H]3CCOC3)CC2)cc1	ZINC000852439535	GE	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CCC(NC(=O)NC[C@@H](OC)[C@H]3CCOC3)CC2)cc1	ZINC000852439536	GE	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CCC(NC(=O)NC[C@H](OC)[C@H]3CCOC3)CC2)cc1	ZINC000852439537	GE	On-Demand	Clean	PDK1	44	31
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(CF)cc1	ZINC000852439542	EH	On-Demand	Anodyne	AOC3	15	45
CO[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCOC1	ZINC000852439554	GH	On-Demand	Anodyne	RBP4	77	36
CO[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCOC1	ZINC000852439554	GH	On-Demand	Anodyne	WNT3	41	33
CO[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCOC1	ZINC000852439555	GH	On-Demand	Anodyne	RBP4	77	36
CO[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCOC1	ZINC000852439555	GH	On-Demand	Anodyne	WNT3	41	33
CO[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCOC1	ZINC000852439556	GH	On-Demand	Anodyne	RBP4	77	36
CO[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCOC1	ZINC000852439556	GH	On-Demand	Anodyne	WNT3	41	33
CO[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCOC1	ZINC000852439557	GH	On-Demand	Anodyne	RBP4	77	36
CO[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCOC1	ZINC000852439557	GH	On-Demand	Anodyne	WNT3	41	33
C#CCCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439558	CD	On-Demand	Mild	MTNR1B	34	40
C#CCCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439559	CD	On-Demand	Mild	MTNR1B	34	40
CCC(=O)CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439568	CE	On-Demand	Anodyne	MTNR1A	42	40
CCC(=O)CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439568	CE	On-Demand	Anodyne	MTNR1B	41	40
CCC(=O)CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439569	CE	On-Demand	Anodyne	MTNR1A	42	40
CCC(=O)CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852439569	CE	On-Demand	Anodyne	MTNR1B	41	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)C(C)C	ZINC000852439579	ED	On-Demand	Anodyne	MTNR1A	31	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)C(C)C	ZINC000852439579	ED	On-Demand	Anodyne	MTNR1B	30	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C)nc(Cl)c1	ZINC000852439676	EG	On-Demand	Anodyne	MTNR1A	27	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C)nc(Cl)c1	ZINC000852439676	EG	On-Demand	Anodyne	MTNR1B	26	40
CC(=O)c1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852439689	CD	On-Demand	Anodyne	CHRM3	21	40
CC(=O)c1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852439690	CD	On-Demand	Anodyne	CHRM3	21	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(Cl)cc1	ZINC000852439719	FG	On-Demand	Anodyne	UL54	35	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(Cl)cc1	ZINC000852439719	FG	On-Demand	Anodyne	AOC3	29	54
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(Cl)cc1	ZINC000852439719	FG	On-Demand	Anodyne	UTS2	52	39
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NCc1ccc(N(C)C)cc1	ZINC000852439737	GE	On-Demand	Clean	UL54	17	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)N(C)OC	ZINC000852439753	DC	On-Demand	Anodyne	MTNR1A	34	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)N(C)OC	ZINC000852439753	DC	On-Demand	Anodyne	MTNR1B	35	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)N(C)OC	ZINC000852439753	DC	On-Demand	Anodyne	AOC3	15	47
C#CCNC(=O)C1CCN(C(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852439782	FC	On-Demand	Mild	EPHX2	26	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000852439802	FG	On-Demand	Bother	COLA	107	38
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000852439802	FG	On-Demand	Bother	TAAR1	28	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1	ZINC000852439931	GF	On-Demand	Anodyne	CASR	27	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1	ZINC000852439933	GF	On-Demand	Anodyne	CASR	27	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)C1CC1	ZINC000852439956	DE	On-Demand	Anodyne	MTNR1A	43	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)C1CC1	ZINC000852439956	DE	On-Demand	Anodyne	MTNR1B	39	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccccc1Cl	ZINC000852439960	FG	On-Demand	Anodyne	AOC3	24	49
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ncc(Cl)n1C	ZINC000852439963	EE	On-Demand	Anodyne	DRD4	41	32
CONC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852439994	CC	On-Demand	Anodyne	TPSAB1	17	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccc(O)cc1	ZINC000852439997	FE	On-Demand	Anodyne	MTNR1A	33	47
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccc(O)cc1	ZINC000852439997	FE	On-Demand	Anodyne	MTNR1B	35	47
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccc(O)cc1	ZINC000852439997	FE	On-Demand	Anodyne	ACR	15	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(F)c(F)c1	ZINC000852440000	FF	On-Demand	Anodyne	AOC3	24	55
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(F)c(F)c1	ZINC000852440002	FF	On-Demand	Anodyne	AOC3	24	55
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000852440016	GG	On-Demand	Anodyne	UL54	17	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000852440016	GG	On-Demand	Anodyne	AOC3	23	52
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(Cl)c(F)c1	ZINC000852440018	GG	On-Demand	Anodyne	UL54	17	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(Cl)c(F)c1	ZINC000852440018	GG	On-Demand	Anodyne	AOC3	23	52
COc1ccccc1[C@@H](O)CNC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852440022	FD	On-Demand	Anodyne	MTNR1A	17	46
COc1ccccc1[C@@H](O)CNC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852440022	FD	On-Demand	Anodyne	MTNR1B	22	43
COc1ccccc1[C@@H](O)CNC(=O)NCc1ccc(CNC(C)=O)cc1	ZINC000852440022	FD	On-Demand	Anodyne	SOAT1	15	41
COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@H](OC)[C@H]2CCOC2)c1	ZINC000852440023	FD	On-Demand	Anodyne	MTNR1A	20	42
COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H](OC)[C@@H]2CCOC2)c1	ZINC000852440024	FD	On-Demand	Anodyne	MTNR1A	20	42
COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@H](OC)[C@@H]2CCOC2)c1	ZINC000852440025	FD	On-Demand	Anodyne	MTNR1A	20	42
COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H](OC)[C@H]2CCOC2)c1	ZINC000852440026	FD	On-Demand	Anodyne	MTNR1A	20	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1nc(C)c2ccccc2n1	ZINC000852440044	FG	On-Demand	Anodyne	MMP13	19	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1nc(C)c2ccccc2n1	ZINC000852440044	FG	On-Demand	Anodyne	TACR3	48	39
C#CCN1CCN(C(=O)CN(C)[C@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852440045	FC	On-Demand	Mild	DRD4	43	33
C#CCN1CCN(C(=O)CN(C)[C@@H](C(=O)OC)c2cccc(OC)c2)CC1	ZINC000852440046	FC	On-Demand	Mild	DRD4	43	33
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc([N+](=O)[O-])c(F)c1	ZINC000852440048	FG	On-Demand	Bother	COLA	54	35
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc([N+](=O)[O-])c(F)c1	ZINC000852440048	FG	On-Demand	Bother	TAAR1	26	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCN1CCOC1=O	ZINC000852440059	DD	On-Demand	Anodyne	DRD4	43	32
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCN1CCOC1=O	ZINC000852440059	DD	On-Demand	Anodyne	CASR	31	42
CO[C@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CCOC1	ZINC000852440062	GD	On-Demand	Anodyne	NPY2R	57	44
CO[C@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CCOC1	ZINC000852440062	GD	On-Demand	Anodyne	SLC6A9	18	44
CO[C@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CCOC1	ZINC000852440063	GD	On-Demand	Anodyne	NPY2R	57	44
CO[C@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CCOC1	ZINC000852440063	GD	On-Demand	Anodyne	SLC6A9	18	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852440064	GG	On-Demand	Anodyne	GPR119	33	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852440065	GG	On-Demand	Anodyne	GPR119	33	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1nccc(C)n1	ZINC000852440078	DE	On-Demand	Anodyne	ROCK1	26	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(F)cc1	ZINC000852440084	EF	On-Demand	Anodyne	AOC3	28	54
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(F)cc1	ZINC000852440086	EF	On-Demand	Anodyne	AOC3	28	54
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccccc1	ZINC000852440089	EF	On-Demand	Anodyne	MTNR1A	39	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccccc1	ZINC000852440089	EF	On-Demand	Anodyne	MTNR1B	40	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccccc1	ZINC000852440089	EF	On-Demand	Anodyne	AOC3	42	59
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccccc1	ZINC000852440091	EF	On-Demand	Anodyne	MTNR1A	39	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccccc1	ZINC000852440091	EF	On-Demand	Anodyne	MTNR1B	40	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccccc1	ZINC000852440091	EF	On-Demand	Anodyne	AOC3	42	59
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)OCc1ccccc1	ZINC000852440101	FF	On-Demand	Anodyne	MTNR1A	36	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)OCc1ccccc1	ZINC000852440101	FF	On-Demand	Anodyne	MTNR1B	38	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)OCc1ccccc1	ZINC000852440101	FF	On-Demand	Anodyne	CAPN2	45	38
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)OCc1ccccc1	ZINC000852440101	FF	On-Demand	Anodyne	NPR	58	32
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(F)cc1C	ZINC000852440106	FG	On-Demand	Anodyne	AOC3	15	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(F)cc1C	ZINC000852440107	FG	On-Demand	Anodyne	AOC3	15	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1cccnc1Cl	ZINC000852440109	GF	On-Demand	Anodyne	G2YM83_BOTF4	62	31
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852440121	GG	On-Demand	Anodyne	CYP19A1	15	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852440121	GG	On-Demand	Anodyne	CYP11B1	15	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852440121	GG	On-Demand	Anodyne	MAOA	47	39
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852440121	GG	On-Demand	Anodyne	MAOB	40	45
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852440121	GG	On-Demand	Anodyne	MTNR1A	63	37
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852440121	GG	On-Demand	Anodyne	MTNR1B	58	35
CCOC(=O)N(C)C1CCN(C(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852440171	GE	On-Demand	Anodyne	TPSAB1	17	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)CN1CCCC1	ZINC000852440190	ED	On-Demand	Anodyne	DRD4	43	33
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)CN1CCCC1	ZINC000852440190	ED	On-Demand	Anodyne	OPRK1	21	49
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)CN1CCCC1	ZINC000852440190	ED	On-Demand	Anodyne	ABCB1	28	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)CN1CCCC1	ZINC000852440280	ED	On-Demand	Anodyne	DRD4	43	33
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)CN1CCCC1	ZINC000852440280	ED	On-Demand	Anodyne	OPRK1	21	49
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)CN1CCCC1	ZINC000852440280	ED	On-Demand	Anodyne	ABCB1	28	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000852440284	GH	On-Demand	Bother	COLA	106	38
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000852440284	GH	On-Demand	Bother	TAAR1	25	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc(Cl)c1	ZINC000852440286	FG	On-Demand	Anodyne	ADRB1	25	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc(Cl)c1	ZINC000852440286	FG	On-Demand	Anodyne	ADRB3	42	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc(Cl)c1	ZINC000852440286	FG	On-Demand	Anodyne	UL54	18	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc(Cl)c1	ZINC000852440286	FG	On-Demand	Anodyne	AOC3	27	57
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc(Cl)c1	ZINC000852440288	FG	On-Demand	Anodyne	ADRB1	25	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc(Cl)c1	ZINC000852440288	FG	On-Demand	Anodyne	ADRB3	42	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc(Cl)c1	ZINC000852440288	FG	On-Demand	Anodyne	UL54	18	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc(Cl)c1	ZINC000852440288	FG	On-Demand	Anodyne	AOC3	27	57
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA2	112	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	BMP1	56	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA1	96	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA7	61	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA5B	44	38
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA4	79	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA5A	45	38
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA14	44	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	MMP2	15	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	MMP9	21	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA12	67	47
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	CA9	79	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	MMP1	20	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	AOC3	15	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	UREA_CANEN	17	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	NCE103	21	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852440289	GD	On-Demand	Anodyne	P96878_MYCTU	40	39
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440293	FF	On-Demand	Clean	THRA	78	37
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440293	FF	On-Demand	Clean	ANPEP	15	50
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440293	FF	On-Demand	Clean	THRB	71	37
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440293	FF	On-Demand	Clean	MTNR1A	71	44
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440293	FF	On-Demand	Clean	MTNR1B	65	44
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440294	FF	On-Demand	Clean	THRA	78	37
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440294	FF	On-Demand	Clean	ANPEP	15	50
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440294	FF	On-Demand	Clean	THRB	71	37
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440294	FF	On-Demand	Clean	MTNR1A	71	44
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852440294	FF	On-Demand	Clean	MTNR1B	65	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)OCC(C)C	ZINC000852440308	DE	On-Demand	Anodyne	MTNR1A	29	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)OCC(C)C	ZINC000852440308	DE	On-Demand	Anodyne	MTNR1B	28	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(OC(C)=O)cc1	ZINC000852440331	FF	On-Demand	Anodyne	MTNR1A	61	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(OC(C)=O)cc1	ZINC000852440331	FF	On-Demand	Anodyne	MTNR1B	53	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(OC(C)=O)cc1	ZINC000852440331	FF	On-Demand	Anodyne	AOC3	16	43
CCCOc1ccc(C(=O)NNC(=O)NC[C@H](OC)[C@@H]2CCOC2)cc1OC	ZINC000852440332	GD	On-Demand	Reactive	PDE4D	15	42
CCCOc1ccc(C(=O)NNC(=O)NC[C@@H](OC)[C@@H]2CCOC2)cc1OC	ZINC000852440333	GD	On-Demand	Reactive	PDE4D	15	42
CCCOc1ccc(C(=O)NNC(=O)NC[C@@H](OC)[C@H]2CCOC2)cc1OC	ZINC000852440334	GD	On-Demand	Reactive	PDE4D	15	42
CCCOc1ccc(C(=O)NNC(=O)NC[C@H](OC)[C@H]2CCOC2)cc1OC	ZINC000852440335	GD	On-Demand	Reactive	PDE4D	15	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C(C)(C)C	ZINC000852440337	FD	On-Demand	Reactive	AOC3	16	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1c(F)cccc1F	ZINC000852440349	FF	On-Demand	Anodyne	AOC3	18	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1c(F)cccc1F	ZINC000852440350	FF	On-Demand	Anodyne	AOC3	18	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000852440353	GF	On-Demand	Bother	CACNA1D	58	34
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000852440353	GF	On-Demand	Bother	COLA	99	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)[C@H](C)C(=O)NNC(=O)CC(C)C	ZINC000852440358	GD	On-Demand	Reactive	MTNR1B	28	45
COC(=O)[C@@H](c1cccc(OC)c1)N(C)[C@@H](C)C(=O)NNC(=O)CC(C)C	ZINC000852440361	GD	On-Demand	Reactive	MTNR1B	28	45
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC[C@@H](O)c1ccccc1	ZINC000852440380	EF	On-Demand	Anodyne	MTNR1A	35	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC[C@@H](O)c1ccccc1	ZINC000852440380	EF	On-Demand	Anodyne	MTNR1B	35	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC[C@@H](O)c1ccccc1	ZINC000852440380	EF	On-Demand	Anodyne	AOC3	28	50
COC(=O)[C@@H](c1cccc(OC)c1)N(C)[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852440381	GG	On-Demand	Anodyne	F2	17	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852440381	GG	On-Demand	Anodyne	SIGMAR1	17	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852440381	GG	On-Demand	Anodyne	TRY2_BOVIN	17	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852440382	GG	On-Demand	Anodyne	F2	17	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852440382	GG	On-Demand	Anodyne	SIGMAR1	17	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852440382	GG	On-Demand	Anodyne	TRY2_BOVIN	17	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)C(C)C	ZINC000852440404	DE	On-Demand	Anodyne	MTNR1A	44	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)C(C)C	ZINC000852440404	DE	On-Demand	Anodyne	MTNR1B	42	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)c1cccc(C)c1	ZINC000852440428	GD	On-Demand	Reactive	DRD4	42	35
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)c1cccc(C)c1	ZINC000852440428	GD	On-Demand	Reactive	KCNK3	56	47
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)c1cccc(C)c1	ZINC000852440428	GD	On-Demand	Reactive	KCNK9	41	35
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(-n2ccnc2)nc1	ZINC000852440469	FF	On-Demand	Anodyne	CYP26A1	57	35
COC(=O)C12CC(CN1C[C@H](O)c1cccc(Cl)c1)C2	ZINC000852440486	CE	On-Demand	Anodyne	ADRB1	23	40
COC(=O)C12CC(CN1C[C@H](O)c1cccc(Cl)c1)C2	ZINC000852440486	CE	On-Demand	Anodyne	ADRB3	37	40
COC(=O)C12CC(CN1C[C@H](O)c1cccc(Cl)c1)C2	ZINC000852440486	CE	On-Demand	Anodyne	CYP3A4	47	36
COC(=O)C12CC(CN1C[C@@H](O)c1cccc(Cl)c1)C2	ZINC000852440487	CE	On-Demand	Anodyne	ADRB1	23	40
COC(=O)C12CC(CN1C[C@@H](O)c1cccc(Cl)c1)C2	ZINC000852440487	CE	On-Demand	Anodyne	ADRB3	37	40
COC(=O)C12CC(CN1C[C@@H](O)c1cccc(Cl)c1)C2	ZINC000852440487	CE	On-Demand	Anodyne	CYP3A4	47	36
COC(=O)C12CC(CN1Cc1nc(C)c3ccccc3n1)C2	ZINC000852440543	CE	On-Demand	Anodyne	ADAM17	49	36
CS(=O)(=O)CC1(CCNC(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	ZINC000852440559	GD	On-Demand	Reactive	IDO1	16	40
CS(=O)(=O)CC1(CCNC(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	ZINC000852440559	GD	On-Demand	Reactive	P96878_MYCTU	20	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)Nc1ccccc1C(N)=O	ZINC000852440581	GD	On-Demand	Anodyne	MTNR1B	25	40
CO[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCOC1	ZINC000852440600	GD	On-Demand	Bother	SSTR1	43	41
CO[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1	ZINC000852440601	GD	On-Demand	Bother	SSTR1	43	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCCN1CCOC1=O	ZINC000852440616	ED	On-Demand	Anodyne	CASR	23	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852440619	FF	On-Demand	Anodyne	MTNR1A	24	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000852440619	FF	On-Demand	Anodyne	MTNR1B	26	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000852440620	FF	On-Demand	Anodyne	MTNR1A	24	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000852440620	FF	On-Demand	Anodyne	MTNR1B	26	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)c1ccccc1	ZINC000852440621	GD	On-Demand	Reactive	DRD4	41	32
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)c1ccccc1	ZINC000852440621	GD	On-Demand	Reactive	KCNK3	16	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C1CC1	ZINC000852440634	EC	On-Demand	Reactive	MTNR1A	43	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C1CC1	ZINC000852440634	EC	On-Demand	Reactive	MTNR1B	43	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)Cc1ccccc1	ZINC000852440636	GE	On-Demand	Anodyne	MMP13	24	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)Cc1ccccc1	ZINC000852440636	GE	On-Demand	Anodyne	MMP3	17	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)Cc1ccccc1	ZINC000852440636	GE	On-Demand	Anodyne	MMP9	17	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)Cc1ccccc1	ZINC000852440636	GE	On-Demand	Anodyne	MMP12	16	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)Cc1ccccc1	ZINC000852440636	GE	On-Demand	Anodyne	MMP1	17	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(OC)OC	ZINC000852440662	CD	On-Demand	Anodyne	MTNR1A	44	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(OC)OC	ZINC000852440662	CD	On-Demand	Anodyne	MTNR1B	43	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(OC)OC	ZINC000852440662	CD	On-Demand	Anodyne	AOC3	21	52
CCOC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852440667	GD	On-Demand	Anodyne	DPP7	41	35
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCCI	ZINC000852440675	GF	On-Demand	Reactive	MTNR1A	40	38
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCCI	ZINC000852440675	GF	On-Demand	Reactive	AOC3	17	46
CCOC(=O)N1CCC(NC(=O)N[C@@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852440682	FG	On-Demand	Anodyne	GRIN2B	19	43
CCOC(=O)N1CCC(NC(=O)N[C@@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852440682	FG	On-Demand	Anodyne	CCR3	42	37
CCOC(=O)N1CCC(NC(=O)N[C@@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852440682	FG	On-Demand	Anodyne	EPHX2	39	40
CCOC(=O)N1CCC(NC(=O)N[C@@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852440682	FG	On-Demand	Anodyne	CCR8	24	40
CCOC(=O)N1CCC(NC(=O)N[C@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852440683	FG	On-Demand	Anodyne	GRIN2B	19	43
CCOC(=O)N1CCC(NC(=O)N[C@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852440683	FG	On-Demand	Anodyne	CCR3	42	37
CCOC(=O)N1CCC(NC(=O)N[C@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852440683	FG	On-Demand	Anodyne	EPHX2	39	40
CCOC(=O)N1CCC(NC(=O)N[C@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852440683	FG	On-Demand	Anodyne	CCR8	24	40
COc1ccc2c(CN3CC4(CCC4)OC[C@H]3C)cc(=O)oc2c1	ZINC000852440723	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CC4(CCC4)OC[C@H]3C)cc(=O)oc2c1	ZINC000852440723	EF	On-Demand	Anodyne	MAOA	43	31
COc1ccc2c(CN3CC4(CCC4)OC[C@H]3C)cc(=O)oc2c1	ZINC000852440723	EF	On-Demand	Anodyne	MAOB	18	40
COc1ccc2c(CN3CC4(CCC4)OC[C@@H]3C)cc(=O)oc2c1	ZINC000852440724	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CC4(CCC4)OC[C@@H]3C)cc(=O)oc2c1	ZINC000852440724	EF	On-Demand	Anodyne	MAOA	43	31
COc1ccc2c(CN3CC4(CCC4)OC[C@@H]3C)cc(=O)oc2c1	ZINC000852440724	EF	On-Demand	Anodyne	MAOB	18	40
COC(=O)C12CC(CN1C[C@@H](O)c1ccccc1)C2	ZINC000852440731	CD	On-Demand	Anodyne	Q8WSF8_APLCA	24	41
COC(=O)C12CC(CN1C[C@H](O)c1ccccc1)C2	ZINC000852440732	CD	On-Demand	Anodyne	Q8WSF8_APLCA	24	41
CS(=O)(=O)CC1(CCNC(=O)NNC(=O)c2ccc(Cl)cc2F)CC1	ZINC000852440750	GD	On-Demand	Reactive	SLC6A9	43	33
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	MME	27	45
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	KLK3	43	33
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	CTSB	58	39
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	PAPA1_CARPA	69	38
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	CAPNS1	62	35
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	HLA-DRB1	50	36
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	CAPN1	83	38
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	CASP1	24	40
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	CAPN2	120	36
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	NPR	77	36
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	PSMB5	43	38
C[C@@H](NC(=O)NCCC1(CS(C)(=O)=O)CC1)C(=O)OCc1ccccc1	ZINC000852440751	GD	On-Demand	Anodyne	SLC12A5	51	35
CS(=O)(=O)CC1(CCNC(=O)NCC(=O)OCc2ccccc2)CC1	ZINC000852440754	FD	On-Demand	Anodyne	SLC12A5	64	34
COC(=O)C12CC(CN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C2	ZINC000852440759	FB	On-Demand	Reactive	CACNA1C	56	37
COC(=O)C12CC(CN1CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C2	ZINC000852440759	FB	On-Demand	Reactive	CACNA1D	89	36
COc1ccc(CN(C)C(=O)NCc2ccc(CNC(C)=O)cc2)cc1F	ZINC000852440793	FF	On-Demand	Anodyne	MT-ND1	23	42
CCOC(=O)N1CCC(NC(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852440812	GD	On-Demand	Anodyne	GRIN2B	19	43
CCOC(=O)N1CCC(NC(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852440812	GD	On-Demand	Anodyne	EPHX2	54	51
CCOC(=O)N1CCC(NC(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852440812	GD	On-Demand	Anodyne	TPSAB1	24	42
CCOC(=O)N1CCC(NC(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852440812	GD	On-Demand	Anodyne	CCR8	37	47
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(F)cc1F	ZINC000852440816	FF	On-Demand	Anodyne	AOC3	19	47
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(F)cc1F	ZINC000852440818	FF	On-Demand	Anodyne	AOC3	19	47
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccccc1F	ZINC000852440821	EF	On-Demand	Anodyne	AOC3	22	49
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccccc1F	ZINC000852440823	EF	On-Demand	Anodyne	AOC3	22	49
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)Nc1ccc(N(C)C)cc1	ZINC000852440857	GF	On-Demand	Anodyne	MTNR1A	27	53
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)Nc1ccc(N(C)C)cc1	ZINC000852440857	GF	On-Demand	Anodyne	MTNR1B	31	53
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(N)(=O)=O	ZINC000852440862	DC	On-Demand	Anodyne	MTNR1A	42	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(N)(=O)=O	ZINC000852440862	DC	On-Demand	Anodyne	MTNR1B	40	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(N)(=O)=O	ZINC000852440862	DC	On-Demand	Anodyne	AOC3	15	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000852440869	FE	On-Demand	Bother	AOC3	18	50
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000852440871	FE	On-Demand	Bother	AOC3	18	50
COC(=O)C12CC(CN1C[C@H](O)c1cccc(C(F)(F)F)c1)C2	ZINC000852440879	EE	On-Demand	Anodyne	CCR2	58	35
COC(=O)C12CC(CN1C[C@@H](O)c1cccc(C(F)(F)F)c1)C2	ZINC000852440880	EE	On-Demand	Anodyne	CCR2	58	35
COC(=O)C12CC(CN1CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C2	ZINC000852440887	GD	On-Demand	Anodyne	CNR2	21	40
CS(=O)(=O)CC1(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1	ZINC000852440902	GD	On-Demand	Anodyne	PRSS2	56	33
CS(=O)(=O)CC1(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1	ZINC000852440902	GD	On-Demand	Anodyne	EPHX2	16	42
CS(=O)(=O)CC1(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1	ZINC000852440902	GD	On-Demand	Anodyne	GPR119	43	36
COC(=O)C12CC(CN1CC(=O)Nc1ccc(N3CCOCC3)cc1)C2	ZINC000852440952	FD	On-Demand	Anodyne	MTOR	70	38
COC(=O)C12CC(CN1CC(=O)Nc1ccc(N3CCOCC3)cc1)C2	ZINC000852440952	FD	On-Demand	Anodyne	EPHX2	20	48
COC(=O)C12CC(CN1Cc1ccc(Cl)nc1)C2	ZINC000852440953	CD	On-Demand	Anodyne	Q8WSF8_APLCA	40	36
COC(=O)C12CC(CN1Cc1ccc(Cl)nc1)C2	ZINC000852440953	CD	On-Demand	Anodyne	NACHRBETA2	52	36
CS(=O)(=O)CC1(CCNC(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)CC1	ZINC000852440964	GD	On-Demand	Anodyne	CCR1	19	41
CS(=O)(=O)CC1(CCNC(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)CC1	ZINC000852440965	GD	On-Demand	Anodyne	CCR1	19	41
COc1ccc2c(c1)CN(C(=O)NCCC1(CS(C)(=O)=O)CC1)CCO2	ZINC000852440967	GD	On-Demand	Anodyne	BMP1	54	36
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1c(C)nn(C)c1Cl	ZINC000852440991	FF	On-Demand	Anodyne	DRD4	40	31
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1oc(C)nc1C	ZINC000852441013	DF	On-Demand	Anodyne	MTNR1A	36	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1oc(C)nc1C	ZINC000852441013	DF	On-Demand	Anodyne	MTNR1B	35	40
CO[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCOC1	ZINC000852441030	FF	On-Demand	Anodyne	ADRA1A	40	33
CO[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCOC1	ZINC000852441031	FF	On-Demand	Anodyne	ADRA1A	40	33
CO[C@H](CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCOC1	ZINC000852441032	FF	On-Demand	Anodyne	ADRA1A	40	33
CO[C@H](CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCOC1	ZINC000852441033	FF	On-Demand	Anodyne	ADRA1A	40	33
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCI	ZINC000852441034	FE	On-Demand	Reactive	MTNR1A	43	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCI	ZINC000852441034	FE	On-Demand	Reactive	MTNR1B	39	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCI	ZINC000852441034	FE	On-Demand	Reactive	AOC3	16	48
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(F)cc1Cl	ZINC000852441041	GG	On-Demand	Anodyne	AOC3	15	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(F)cc1Cl	ZINC000852441043	GG	On-Demand	Anodyne	AOC3	15	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cccc2c1OCCO2	ZINC000852441044	FF	On-Demand	Anodyne	MTNR1A	43	46
COc1cccc([C@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852441057	FD	On-Demand	Anodyne	ADRB2	44	36
COc1cccc([C@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852441057	FD	On-Demand	Anodyne	ADRB3	47	43
COc1cccc([C@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852441057	FD	On-Demand	Anodyne	ANPEP	15	47
COc1cccc([C@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852441057	FD	On-Demand	Anodyne	MTNR1A	78	49
COc1cccc([C@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852441057	FD	On-Demand	Anodyne	MTNR1B	76	49
COc1cccc([C@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852441057	FD	On-Demand	Anodyne	ROCK2	34	43
COc1cccc([C@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)c1	ZINC000852441057	FD	On-Demand	Anodyne	PDS	58	43
COC(=O)C12CC(CN1CCCOc1ccc(C#N)cc1)C2	ZINC000852441097	DD	On-Demand	Mild	HRH3	29	48
COC(=O)C12CC(CN1CCCOc1ccc(C#N)cc1)C2	ZINC000852441097	DD	On-Demand	Mild	MEN1	42	39
COC(=O)C12CC(CN1Cc1ccc(OCC#N)cc1)C2	ZINC000852441098	CD	On-Demand	Mild	ADAM17	21	40
COC(=O)C12CC(CN1CCC(=O)Nc1ccc(N3CCOCC3)cc1)C2	ZINC000852441143	FD	On-Demand	Anodyne	MTOR	60	38
COC(=O)C12CC(CN1CCC(=O)Nc1ccc(N3CCOCC3)cc1)C2	ZINC000852441143	FD	On-Demand	Anodyne	EPHX2	20	47
COC(=O)C12CC(CN1CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2	ZINC000852441186	GC	On-Demand	Bother	SSTR1	54	46
COC(=O)C12CC(CN1CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2	ZINC000852441186	GC	On-Demand	Bother	SLC27A4	47	31
COC(=O)C12CC(CN1Cc1cc(=O)oc3cc(O)ccc13)C2	ZINC000852441192	DD	On-Demand	Anodyne	HSD17B3	33	49
COc1ccc([C@@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)cc1	ZINC000852441198	FD	On-Demand	Anodyne	MTNR1A	52	47
COc1ccc([C@@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)cc1	ZINC000852441198	FD	On-Demand	Anodyne	MTNR1B	47	41
COc1ccc([C@@H](O)CNC(=O)NCc2ccc(CNC(C)=O)cc2)cc1	ZINC000852441198	FD	On-Demand	Anodyne	CA9	15	42
C#CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441213	BD	On-Demand	Mild	MTNR1A	37	40
C#CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441213	BD	On-Demand	Mild	MTNR1B	36	42
C#CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441213	BD	On-Demand	Mild	AOC3	15	47
C#CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441214	BD	On-Demand	Mild	MTNR1A	37	40
C#CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441214	BD	On-Demand	Mild	MTNR1B	36	42
C#CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441214	BD	On-Demand	Mild	AOC3	15	47
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC1CCC2(CC1)OCCO2	ZINC000852441216	FF	On-Demand	Anodyne	C5AR1	23	44
CO[C@H](CNC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)[C@H]1CCOC1	ZINC000852441243	GF	On-Demand	Anodyne	CHRNA10	33	44
CO[C@H](CNC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)[C@@H]1CCOC1	ZINC000852441244	GF	On-Demand	Anodyne	CHRNA10	33	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccc(F)c1	ZINC000852441247	EF	On-Demand	Anodyne	AOC3	23	57
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccc(F)c1	ZINC000852441249	EF	On-Demand	Anodyne	AOC3	23	57
CC[C@@H](C(=O)NNC(=O)NCc1ccc(CNC(C)=O)cc1)c1ccccc1	ZINC000852441264	GE	On-Demand	Reactive	ANPEP	21	44
CC[C@@H](C(=O)NNC(=O)NCc1ccc(CNC(C)=O)cc1)c1ccccc1	ZINC000852441264	GE	On-Demand	Reactive	PAPA1_CARPA	28	43
CC[C@@H](C(=O)NNC(=O)NCc1ccc(CNC(C)=O)cc1)c1ccccc1	ZINC000852441264	GE	On-Demand	Reactive	PDS	45	36
COC(=O)C12CC(CN1CC(=O)Nc1ccc(N3CCCC3)cc1)C2	ZINC000852441299	ED	On-Demand	Anodyne	KCNQ2	18	40
Cc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cn1	ZINC000852441361	CD	On-Demand	Anodyne	PDE1C	24	44
Cc1ccc(CN2CC[C@H](N3CCOC3=O)C2)cn1	ZINC000852441367	CD	On-Demand	Anodyne	PDE1C	24	44
CS(=O)(=O)CC1(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1	ZINC000852441385	GF	On-Demand	Anodyne	HTR1D	35	43
CS(=O)(=O)CC1(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1	ZINC000852441385	GF	On-Demand	Anodyne	HTR1B	29	43
CS(=O)(=O)CC1(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1	ZINC000852441385	GF	On-Demand	Anodyne	MPO	59	36
CS(=O)(=O)CC1(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1	ZINC000852441385	GF	On-Demand	Anodyne	MTNR1A	15	51
CS(=O)(=O)CC1(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1	ZINC000852441385	GF	On-Demand	Anodyne	MAPT	15	44
CC[C@@H](C)c1ccc(NC(=O)CN2CC3CC2(C(=O)OC)C3)cc1	ZINC000852441396	EF	On-Demand	Anodyne	SCN2A	15	41
COC(=O)C12CC(CN1CCOc1ccc3c(C)cc(=O)oc3c1)C2	ZINC000852441431	EE	On-Demand	Anodyne	MAOA	63	49
COC(=O)C12CC(CN1CCOc1ccc3c(C)cc(=O)oc3c1)C2	ZINC000852441431	EE	On-Demand	Anodyne	ACHE	16	44
COC(=O)C12CC(CN1CCOc1ccc3c(C)cc(=O)oc3c1)C2	ZINC000852441431	EE	On-Demand	Anodyne	MAOB	53	49
COC(=O)C12CC(CN1CCOc1ccc3c(C)cc(=O)oc3c1)C2	ZINC000852441431	EE	On-Demand	Anodyne	BCHE	18	43
CCOC(=O)C1=C(CN2CC3(CCC3)OC[C@H]2C)NC(=O)N[C@H]1c1ccccc1	ZINC000852441432	GF	On-Demand	Anodyne	SLC27A4	71	33
CCOC(=O)C1=C(CN2CC3(CCC3)OC[C@H]2C)NC(=O)N[C@@H]1c1ccccc1	ZINC000852441435	GF	On-Demand	Anodyne	SLC27A4	71	33
CCOC(=O)C1=C(CN2CC3(CCC3)OC[C@@H]2C)NC(=O)N[C@@H]1c1ccccc1	ZINC000852441437	GF	On-Demand	Anodyne	SLC27A4	71	33
CCOC(=O)C1=C(CN2CC3(CCC3)OC[C@@H]2C)NC(=O)N[C@H]1c1ccccc1	ZINC000852441438	GF	On-Demand	Anodyne	SLC27A4	71	33
O=C1OCCN1[C@@H]1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1	ZINC000852441471	EE	On-Demand	Anodyne	ACHE	16	44
O=C1OCCN1[C@H]1CCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1	ZINC000852441473	EE	On-Demand	Anodyne	ACHE	16	44
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1	ZINC000852441511	EG	On-Demand	Anodyne	CXCR3	19	42
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1	ZINC000852441513	EG	On-Demand	Anodyne	CXCR3	19	42
CN(CCN1CC[C@H](N2CCOC2=O)C1)Cc1ccccc1	ZINC000852441530	DD	On-Demand	Anodyne	SIGMAR1	34	43
CN(CCN1CC[C@H](N2CCOC2=O)C1)Cc1ccccc1	ZINC000852441530	DD	On-Demand	Anodyne	PDE11A	69	33
CN(CCN1CC[C@@H](N2CCOC2=O)C1)Cc1ccccc1	ZINC000852441532	DD	On-Demand	Anodyne	SIGMAR1	34	43
CN(CCN1CC[C@@H](N2CCOC2=O)C1)Cc1ccccc1	ZINC000852441532	DD	On-Demand	Anodyne	PDE11A	69	33
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852441539	FD	On-Demand	Anodyne	MTNR1A	26	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852441539	FD	On-Demand	Anodyne	MTNR1B	27	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852441542	FD	On-Demand	Anodyne	MTNR1A	26	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852441542	FD	On-Demand	Anodyne	MTNR1B	27	40
C#CCNC(=O)CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441578	DC	On-Demand	Mild	MTNR1A	40	40
C#CCNC(=O)CCN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441578	DC	On-Demand	Mild	MTNR1B	36	42
C#CCNC(=O)CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441579	DC	On-Demand	Mild	MTNR1A	40	40
C#CCNC(=O)CCN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441579	DC	On-Demand	Mild	MTNR1B	36	42
CS(=O)(=O)CC1(CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1	ZINC000852441594	GD	On-Demand	Bother	COLA	68	34
COC(=O)C12CC(CN1Cc1cccnc1Cl)C2	ZINC000852441631	CD	On-Demand	Anodyne	G2YM83_BOTF4	67	34
COC(=O)C12CC(CN1CC(=O)Nc1ccc3nc(O)[nH]c3c1)C2	ZINC000852441636	EC	On-Demand	Anodyne	ENPP1	62	33
COc1ccc(N2CCN(C(=O)CN3CC4(CCC4)OC[C@@H]3C)CC2)cc1	ZINC000852441690	FD	On-Demand	Clean	NPBWR1	43	31
COc1ccc(N2CCN(C(=O)CN3CC4(CCC4)OC[C@H]3C)CC2)cc1	ZINC000852441693	FD	On-Demand	Clean	NPBWR1	43	31
COC(=O)C12CC(CN1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C2	ZINC000852441745	GF	On-Demand	Anodyne	KCNK3	40	34
COC(=O)C12CC(CN1CC(=O)c1cc(C)n(Cc3ccccc3)c1C)C2	ZINC000852441763	FF	On-Demand	Anodyne	PLA2G2A	42	33
C=C(Cl)CN(C)[C@@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441791	CF	On-Demand	Mild	AOC3	15	46
C=C(Cl)CN(C)[C@H](C(=O)OC)c1cccc(OC)c1	ZINC000852441792	CF	On-Demand	Mild	AOC3	15	46
O=C1OCCN1[C@H]1CCN(Cc2cccc(CN3CCCCC3)c2)C1	ZINC000852441812	EF	On-Demand	Anodyne	HRH3	20	41
O=C1OCCN1[C@@H]1CCN(Cc2cccc(CN3CCCCC3)c2)C1	ZINC000852441817	EF	On-Demand	Anodyne	HRH3	20	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC1(Br)CC1	ZINC000852441821	EF	On-Demand	Anodyne	DRD4	41	31
COC(=O)C12CC(CN1CCOc1cccc(F)c1)C2	ZINC000852441846	CD	On-Demand	Anodyne	CHRNA10	32	40
CCOC(=O)C1=C(CN2CC3CC2(C(=O)OC)C3)NC(=O)N[C@H]1c1ccccc1	ZINC000852441870	GD	On-Demand	Anodyne	SLC27A4	78	36
CCOC(=O)C1=C(CN2CC3CC2(C(=O)OC)C3)NC(=O)N[C@@H]1c1ccccc1	ZINC000852441871	GD	On-Demand	Anodyne	SLC27A4	78	36
Cn1nncc1CN1CC[C@@H](N2CCOC2=O)C1	ZINC000852441872	CB	On-Demand	Anodyne	PDE11A	52	31
Cn1nncc1CN1CC[C@H](N2CCOC2=O)C1	ZINC000852441874	CB	On-Demand	Anodyne	PDE11A	52	31
CCOC(=O)N[C@H]1CCCN(C(=O)N[C@@H](CC)Cc2ccc(F)cc2)C1	ZINC000852441889	FG	On-Demand	Anodyne	CCR3	80	35
CCOC(=O)N[C@H]1CCCN(C(=O)N[C@@H](CC)Cc2ccc(F)cc2)C1	ZINC000852441889	FG	On-Demand	Anodyne	BIRC2	33	41
CCOC(=O)N[C@H]1CCCN(C(=O)N[C@H](CC)Cc2ccc(F)cc2)C1	ZINC000852441890	FG	On-Demand	Anodyne	CCR3	80	35
CCOC(=O)N[C@H]1CCCN(C(=O)N[C@H](CC)Cc2ccc(F)cc2)C1	ZINC000852441890	FG	On-Demand	Anodyne	BIRC2	33	41
COC(=O)C12CC(CN1Cc1cc(=O)oc3cc(OC)ccc13)C2	ZINC000852441902	ED	On-Demand	Anodyne	CYP11B1	17	42
COC(=O)C12CC(CN1Cc1cc(=O)oc3cc(OC)ccc13)C2	ZINC000852441902	ED	On-Demand	Anodyne	MAOB	26	41
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852441954	FE	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC[C@H](N3CCOC3=O)C2)C1	ZINC000852441955	FE	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CC[C@@H](CCN2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852441956	FE	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC[C@@H](N3CCOC3=O)C2)C1	ZINC000852441957	FE	On-Demand	Anodyne	GPR119	26	42
COC(=O)C12CC(CN1CCC(=O)Nc1sc3c(c1C(N)=O)CCCC3)C2	ZINC000852441988	GD	On-Demand	Anodyne	VIPR1	25	40
COC(=O)C12CC(CN1Cc1cc([N+](=O)[O-])ccc1Cl)C2	ZINC000852442029	DE	On-Demand	Bother	CACNA1C	42	34
COC(=O)C12CC(CN1Cc1cc([N+](=O)[O-])ccc1Cl)C2	ZINC000852442029	DE	On-Demand	Bother	CACNA1D	59	34
COC(=O)C12CC(CN1CC(=O)Nc1cccnc1Cl)C2	ZINC000852442038	DD	On-Demand	Anodyne	G2YM83_BOTF4	72	37
COC(=O)C12CC(CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2	ZINC000852442102	FD	On-Demand	Bother	TAAR1	17	40
COC(=O)C12CC(CN1CC(=O)OCc1ccccc1)C2	ZINC000852442173	CD	On-Demand	Anodyne	CAPNS1	46	32
COC(=O)C12CC(CN1CC(=O)OCc1ccccc1)C2	ZINC000852442173	CD	On-Demand	Anodyne	SLC12A5	72	43
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852442212	GG	On-Demand	Anodyne	EPHX2	22	48
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852442212	GG	On-Demand	Anodyne	SCD1	25	43
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852442212	GG	On-Demand	Anodyne	TRPM8	45	38
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852442215	GG	On-Demand	Anodyne	EPHX2	22	48
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852442215	GG	On-Demand	Anodyne	SCD1	25	43
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852442215	GG	On-Demand	Anodyne	TRPM8	45	38
COC(=O)C12CC(CN1Cc1ccc(-n3ccnc3)nc1)C2	ZINC000852442229	CD	On-Demand	Anodyne	NOS2	51	34
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(F)(F)Br	ZINC000852442257	FF	On-Demand	Anodyne	AOC3	16	46
COC(=O)C12CC(CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2	ZINC000852442261	FD	On-Demand	Bother	WDR5	34	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC1CC(F)(F)C1	ZINC000852442270	DF	On-Demand	Anodyne	MTNR1A	30	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC1CC(F)(F)C1	ZINC000852442270	DF	On-Demand	Anodyne	MTNR1B	28	40
COC[C@@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(OC)c1	ZINC000852442300	GD	On-Demand	Reactive	DRD4	43	32
COC[C@H](NCC(=O)NNC(=O)c1cccc(C#N)c1)c1cccc(OC)c1	ZINC000852442303	GD	On-Demand	Reactive	DRD4	43	32
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cc(OC)ccc1OC	ZINC000852442315	GF	On-Demand	Anodyne	MTNR1B	40	36
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cc(OC)ccc1OC	ZINC000852442315	GF	On-Demand	Anodyne	AOC3	25	50
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cc(OC)ccc1OC	ZINC000852442328	GF	On-Demand	Anodyne	MTNR1B	40	36
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cc(OC)ccc1OC	ZINC000852442328	GF	On-Demand	Anodyne	AOC3	25	50
COC[C@H](NCc1ccc(OC(C)=O)cc1)c1cccc(OC)c1	ZINC000852442332	EG	On-Demand	Anodyne	MTNR1A	55	41
COC[C@H](NCc1ccc(OC(C)=O)cc1)c1cccc(OC)c1	ZINC000852442332	EG	On-Demand	Anodyne	MTNR1B	53	41
COC[C@@H](NCc1ccc(OC(C)=O)cc1)c1cccc(OC)c1	ZINC000852442334	EG	On-Demand	Anodyne	MTNR1A	55	41
COC[C@@H](NCc1ccc(OC(C)=O)cc1)c1cccc(OC)c1	ZINC000852442334	EG	On-Demand	Anodyne	MTNR1B	53	41
C#CCNC(=O)CCN[C@@H](COC)c1cccc(OC)c1	ZINC000852442337	CD	On-Demand	Mild	DRD4	40	31
C#CCNC(=O)CCN[C@@H](COC)c1cccc(OC)c1	ZINC000852442337	CD	On-Demand	Mild	MTNR1A	51	41
C#CCNC(=O)CCN[C@@H](COC)c1cccc(OC)c1	ZINC000852442337	CD	On-Demand	Mild	MTNR1B	47	43
C#CCNC(=O)CCN[C@H](COC)c1cccc(OC)c1	ZINC000852442339	CD	On-Demand	Mild	DRD4	40	31
C#CCNC(=O)CCN[C@H](COC)c1cccc(OC)c1	ZINC000852442339	CD	On-Demand	Mild	MTNR1A	51	41
C#CCNC(=O)CCN[C@H](COC)c1cccc(OC)c1	ZINC000852442339	CD	On-Demand	Mild	MTNR1B	47	43
COc1ccc2c(c1)CN(C(=O)NCc1ccc(CNC(C)=O)cc1)CCO2	ZINC000852442353	GE	On-Demand	Anodyne	BMP1	52	37
COc1ccc2c(c1)CN(C(=O)NCc1ccc(CNC(C)=O)cc1)CCO2	ZINC000852442353	GE	On-Demand	Anodyne	MMP13	17	41
COc1ccc2c(c1)CN(C(=O)NCc1ccc(CNC(C)=O)cc1)CCO2	ZINC000852442353	GE	On-Demand	Anodyne	MTNR1A	61	48
COc1ccc2c(c1)CN(C(=O)NCc1ccc(CNC(C)=O)cc1)CCO2	ZINC000852442353	GE	On-Demand	Anodyne	MTNR1B	59	37
COC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852442356	ED	On-Demand	Anodyne	MTNR1A	26	41
COC[C@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852442356	ED	On-Demand	Anodyne	MTNR1B	29	41
COC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852442359	ED	On-Demand	Anodyne	MTNR1A	26	41
COC[C@@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852442359	ED	On-Demand	Anodyne	MTNR1B	29	41
COC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852442361	ED	On-Demand	Anodyne	MTNR1A	26	41
COC[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852442361	ED	On-Demand	Anodyne	MTNR1B	29	41
COC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852442364	ED	On-Demand	Anodyne	MTNR1A	26	41
COC[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1cccc(OC)c1	ZINC000852442364	ED	On-Demand	Anodyne	MTNR1B	29	41
COC[C@@H](NC[C@H](O)c1ccccc1Cl)c1cccc(OC)c1	ZINC000852442371	EG	On-Demand	Anodyne	ADRB2	22	44
COC[C@@H](NC[C@H](O)c1ccccc1Cl)c1cccc(OC)c1	ZINC000852442371	EG	On-Demand	Anodyne	ADRB3	23	43
COC[C@H](NC[C@H](O)c1ccccc1Cl)c1cccc(OC)c1	ZINC000852442377	EG	On-Demand	Anodyne	ADRB2	22	44
COC[C@H](NC[C@H](O)c1ccccc1Cl)c1cccc(OC)c1	ZINC000852442377	EG	On-Demand	Anodyne	ADRB3	23	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C(C)C	ZINC000852442400	FC	On-Demand	Reactive	MTNR1A	36	43
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)NNC(=O)C(C)C	ZINC000852442400	FC	On-Demand	Reactive	MTNR1B	34	43
C#CC[C@@H]1CCCN(C(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852442401	EE	On-Demand	Mild	NAMPT	20	40
C#CC[C@H]1CCCN(C(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852442403	EE	On-Demand	Mild	NAMPT	20	40
COC[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852442594	FG	On-Demand	Anodyne	ADRB1	15	42
COC[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852442594	FG	On-Demand	Anodyne	ADRB3	33	45
COC[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852442597	FG	On-Demand	Anodyne	ADRB1	15	42
COC[C@@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852442597	FG	On-Demand	Anodyne	ADRB3	33	45
COC[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852442600	FG	On-Demand	Anodyne	ADRB1	15	42
COC[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852442600	FG	On-Demand	Anodyne	ADRB3	33	45
COC[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852442603	FG	On-Demand	Anodyne	ADRB1	15	42
COC[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)c1cccc(OC)c1	ZINC000852442603	FG	On-Demand	Anodyne	ADRB3	33	45
CC[C@@H](C(=O)NNC(=O)NCCC1(CS(C)(=O)=O)CC1)c1ccccc1	ZINC000852442610	GD	On-Demand	Reactive	KCNQ2	40	39
COC(=O)C12CC(CN1C[C@H](O)c1cccc([N+](=O)[O-])c1)C2	ZINC000852442625	DD	On-Demand	Bother	CACNA1C	62	39
COC(=O)C12CC(CN1C[C@H](O)c1cccc([N+](=O)[O-])c1)C2	ZINC000852442625	DD	On-Demand	Bother	CACNA1D	92	39
COC(=O)C12CC(CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2	ZINC000852442630	DD	On-Demand	Bother	CACNA1C	62	39
COC(=O)C12CC(CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2	ZINC000852442630	DD	On-Demand	Bother	CACNA1D	92	39
COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(OC)c1	ZINC000852442635	GG	On-Demand	Bother	CACNA1D	41	33
COC[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(OC)c1	ZINC000852442635	GG	On-Demand	Bother	TAAR1	24	40
COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(OC)c1	ZINC000852442641	GG	On-Demand	Bother	CACNA1D	41	33
COC[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(OC)c1	ZINC000852442641	GG	On-Demand	Bother	TAAR1	24	40
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	CA2	74	52
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	ADRB2	16	43
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	ADRB3	22	43
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	CA1	70	52
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	CA7	49	52
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	CA4	41	41
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	CA14	37	52
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	CA12	52	51
COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442646	FD	On-Demand	Anodyne	CA9	65	52
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	CA2	74	52
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	ADRB2	16	43
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	ADRB3	22	43
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	CA1	70	52
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	CA7	49	52
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	CA4	41	41
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	CA14	37	52
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	CA12	52	51
COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852442651	FD	On-Demand	Anodyne	CA9	65	52
COC[C@@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852442688	FH	On-Demand	Anodyne	ADRB3	23	44
COC[C@@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852442692	FH	On-Demand	Anodyne	ADRB3	23	44
COC[C@H](NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852442696	FH	On-Demand	Anodyne	ADRB3	23	44
COC[C@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1	ZINC000852442701	FH	On-Demand	Anodyne	ADRB3	23	44
COC(=O)C12CC(CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000852442704	DD	On-Demand	Bother	SLC27A4	47	31
COC(=O)C12CC(CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000852442707	DD	On-Demand	Bother	SLC27A4	47	31
COC(=O)C12CC(CN1C[C@@H](O)CN1CCN(c3ccc(OC)cc3)CC1)C2	ZINC000852442751	GC	On-Demand	Clean	ABCB1	44	41
COC(=O)C12CC(CN1C[C@H](O)CN1CCN(c3ccc(OC)cc3)CC1)C2	ZINC000852442753	GC	On-Demand	Clean	ABCB1	44	41
COC[C@@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852442754	FI	On-Demand	Anodyne	ADRB2	17	41
COC[C@@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852442754	FI	On-Demand	Anodyne	ADRB3	31	43
COC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852442756	FI	On-Demand	Anodyne	ADRB2	17	41
COC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852442756	FI	On-Demand	Anodyne	ADRB3	31	43
COC[C@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852442758	FI	On-Demand	Anodyne	ADRB2	17	41
COC[C@H](NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852442758	FI	On-Demand	Anodyne	ADRB3	31	43
COC[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852442759	FI	On-Demand	Anodyne	ADRB2	17	41
COC[C@H](NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(OC)c1	ZINC000852442759	FI	On-Demand	Anodyne	ADRB3	31	43
COC(=O)C12CC(CN1Cc1cccc([N+](=O)[O-])c1Br)C2	ZINC000852442780	FE	On-Demand	Bother	COLA	94	33
COC[C@H](NCC(=O)NNC(=O)C1CC1)c1cccc(OC)c1	ZINC000852442784	DC	On-Demand	Reactive	MTNR1A	41	47
COC[C@H](NCC(=O)NNC(=O)C1CC1)c1cccc(OC)c1	ZINC000852442784	DC	On-Demand	Reactive	MTNR1B	43	47
COC[C@@H](NCC(=O)NNC(=O)C1CC1)c1cccc(OC)c1	ZINC000852442786	DC	On-Demand	Reactive	MTNR1A	41	47
COC[C@@H](NCC(=O)NNC(=O)C1CC1)c1cccc(OC)c1	ZINC000852442786	DC	On-Demand	Reactive	MTNR1B	43	47
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852442800	GE	On-Demand	Anodyne	PDS	48	34
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852442803	GE	On-Demand	Anodyne	PDS	48	34
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA2	114	43
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA1	104	42
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA7	73	40
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA5B	44	38
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA4	73	42
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA5A	45	38
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA14	66	38
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA12	87	43
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	CA9	92	43
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	NCE103	18	41
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	P96878_MYCTU	41	39
COC(=O)C12CC(CN1CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000852442804	DC	On-Demand	Anodyne	A6YCJ1_9METZ	22	40
C#C[C@@H]1CCCN(C(=O)N[C@@H](CC)Cc2ccc(F)cc2)C1	ZINC000852442917	DG	On-Demand	Mild	CCR3	63	34
C#C[C@@H]1CCCN(C(=O)N[C@H](CC)Cc2ccc(F)cc2)C1	ZINC000852442918	DG	On-Demand	Mild	CCR3	63	34
C#C[C@H]1CCCN(C(=O)N[C@H](CC)Cc2ccc(F)cc2)C1	ZINC000852442919	DG	On-Demand	Mild	CCR3	63	34
C#C[C@H]1CCCN(C(=O)N[C@@H](CC)Cc2ccc(F)cc2)C1	ZINC000852442920	DG	On-Demand	Mild	CCR3	63	34
COc1ccc([C@@H](O)CNC(=O)NCCC2(CS(C)(=O)=O)CC2)cc1	ZINC000852442986	FD	On-Demand	Anodyne	ADRB3	21	41
COC(=O)C12CC(CN1CC(=O)NNC(=O)c1cccc(C)c1)C2	ZINC000852442992	EC	On-Demand	Reactive	KCNK3	52	36
COC(=O)C12CC(CN1CC(=O)NNC(=O)c1cccc(C)c1)C2	ZINC000852442992	EC	On-Demand	Reactive	KCNK9	42	36
COC[C@H](NCC(=O)OCC(C)C)c1cccc(OC)c1	ZINC000852443014	CE	On-Demand	Anodyne	MTNR1A	30	42
COC[C@H](NCC(=O)OCC(C)C)c1cccc(OC)c1	ZINC000852443014	CE	On-Demand	Anodyne	MTNR1B	32	42
COC[C@@H](NCC(=O)OCC(C)C)c1cccc(OC)c1	ZINC000852443015	CE	On-Demand	Anodyne	MTNR1A	30	42
COC[C@@H](NCC(=O)OCC(C)C)c1cccc(OC)c1	ZINC000852443015	CE	On-Demand	Anodyne	MTNR1B	32	42
COC[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1	ZINC000852443016	EF	On-Demand	Bother	ADRB3	22	45
COC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1	ZINC000852443017	EF	On-Demand	Bother	ADRB3	22	45
COC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1	ZINC000852443018	EF	On-Demand	Bother	ADRB3	22	45
COC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1	ZINC000852443019	EF	On-Demand	Bother	ADRB3	22	45
COC[C@@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852443035	EE	On-Demand	Anodyne	NQO2	16	47
COC[C@@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852443035	EE	On-Demand	Anodyne	MTNR1A	36	43
COC[C@@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852443035	EE	On-Demand	Anodyne	MTNR1B	39	43
COC[C@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852443036	EE	On-Demand	Anodyne	NQO2	16	47
COC[C@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852443036	EE	On-Demand	Anodyne	MTNR1A	36	43
COC[C@H](NCCCNC(=O)C(F)(F)F)c1cccc(OC)c1	ZINC000852443036	EE	On-Demand	Anodyne	MTNR1B	39	43
COC[C@H](NCCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852443051	FG	On-Demand	Anodyne	MTNR1A	33	53
COC[C@H](NCCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852443051	FG	On-Demand	Anodyne	MTNR1B	36	53
COC[C@@H](NCCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852443052	FG	On-Demand	Anodyne	MTNR1A	33	53
COC[C@@H](NCCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852443052	FG	On-Demand	Anodyne	MTNR1B	36	53
O=C(NCc1cnc(C(F)(F)F)nc1)N1Cc2cccc(Cl)c2C1	ZINC000852443060	FG	On-Demand	Anodyne	NAMPT	28	44
COC(=O)C12CC(CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2	ZINC000852443063	DD	On-Demand	Bother	CACNA1C	44	34
COC(=O)C12CC(CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2	ZINC000852443063	DD	On-Demand	Bother	CACNA1D	66	32
COC[C@@H](NC[C@H](O)c1ccc(F)c(Br)c1)c1cccc(OC)c1	ZINC000852443075	GH	On-Demand	Anodyne	ADRB3	27	46
COC[C@@H](NC[C@@H](O)c1ccc(F)c(Br)c1)c1cccc(OC)c1	ZINC000852443076	GH	On-Demand	Anodyne	ADRB3	27	46
COC[C@H](NC[C@H](O)c1ccc(F)c(Br)c1)c1cccc(OC)c1	ZINC000852443077	GH	On-Demand	Anodyne	ADRB3	27	46
COC[C@H](NC[C@@H](O)c1ccc(F)c(Br)c1)c1cccc(OC)c1	ZINC000852443078	GH	On-Demand	Anodyne	ADRB3	27	46
O=C(CN1CC[C@@H](N2CCOC2=O)C1)Nc1ccc(Cl)nc1	ZINC000852443143	DD	On-Demand	Anodyne	NPY5R	15	46
O=C(CN1CC[C@H](N2CCOC2=O)C1)Nc1ccc(Cl)nc1	ZINC000852443144	DD	On-Demand	Anodyne	NPY5R	15	46
NC(=O)[C@](O)(CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443153	DB	On-Demand	Anodyne	CHRM2	20	40
NC(=O)[C@](O)(CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443153	DB	On-Demand	Anodyne	CHRM1	15	40
NC(=O)[C@](O)(CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443153	DB	On-Demand	Anodyne	CHRM3	29	40
NC(=O)[C@](O)(CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443153	DB	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443154	DB	On-Demand	Anodyne	CHRM2	20	40
NC(=O)[C@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443154	DB	On-Demand	Anodyne	CHRM1	15	40
NC(=O)[C@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443154	DB	On-Demand	Anodyne	CHRM3	29	40
NC(=O)[C@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443154	DB	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443155	DB	On-Demand	Anodyne	CHRM2	20	40
NC(=O)[C@@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443155	DB	On-Demand	Anodyne	CHRM1	15	40
NC(=O)[C@@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443155	DB	On-Demand	Anodyne	CHRM3	29	40
NC(=O)[C@@](O)(CN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443155	DB	On-Demand	Anodyne	CYP2J2	46	32
NC(=O)[C@@](O)(CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443156	DB	On-Demand	Anodyne	CHRM2	20	40
NC(=O)[C@@](O)(CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443156	DB	On-Demand	Anodyne	CHRM1	15	40
NC(=O)[C@@](O)(CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443156	DB	On-Demand	Anodyne	CHRM3	29	40
NC(=O)[C@@](O)(CN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443156	DB	On-Demand	Anodyne	CYP2J2	46	32
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(OC)OC	ZINC000852443162	DD	On-Demand	Anodyne	MTNR1A	34	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(OC)OC	ZINC000852443162	DD	On-Demand	Anodyne	MTNR1B	34	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(OC)OC	ZINC000852443162	DD	On-Demand	Anodyne	AOC3	17	47
N#Cc1ccc(CCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852443346	CD	On-Demand	Mild	L3MBTL3	25	43
N#Cc1ccc(CCN2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852443346	CD	On-Demand	Mild	KCNJ1	61	51
N#Cc1ccc(CCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852443354	CD	On-Demand	Mild	L3MBTL3	25	43
N#Cc1ccc(CCN2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852443354	CD	On-Demand	Mild	KCNJ1	61	51
O=C1OCCN1[C@H]1CCN(Cc2ccc(CN3CCCCC3)cc2)C1	ZINC000852443356	EF	On-Demand	Anodyne	HRH3	29	43
O=C1OCCN1[C@H]1CCN(Cc2ccc(CN3CCCCC3)cc2)C1	ZINC000852443356	EF	On-Demand	Anodyne	L3MBTL3	24	42
O=C1OCCN1[C@@H]1CCN(Cc2ccc(CN3CCCCC3)cc2)C1	ZINC000852443358	EF	On-Demand	Anodyne	HRH3	29	43
O=C1OCCN1[C@@H]1CCN(Cc2ccc(CN3CCCCC3)cc2)C1	ZINC000852443358	EF	On-Demand	Anodyne	L3MBTL3	24	42
COC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(OC)c1	ZINC000852443386	EG	On-Demand	Bother	TAAR1	20	40
COC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(OC)c1	ZINC000852443388	EG	On-Demand	Bother	TAAR1	20	40
COC[C@@H](NC[C@H](O)c1ccccc1Br)c1cccc(OC)c1	ZINC000852443431	GG	On-Demand	Anodyne	ADRB2	17	41
COC[C@@H](NC[C@@H](O)c1ccccc1Br)c1cccc(OC)c1	ZINC000852443433	GG	On-Demand	Anodyne	ADRB2	17	41
COC[C@H](NC[C@H](O)c1ccccc1Br)c1cccc(OC)c1	ZINC000852443435	GG	On-Demand	Anodyne	ADRB2	17	41
COC[C@H](NC[C@@H](O)c1ccccc1Br)c1cccc(OC)c1	ZINC000852443437	GG	On-Demand	Anodyne	ADRB2	17	41
COC(=O)C12CC(CN1CCC1CCN(C(=O)OC(C)(C)C)CC1)C2	ZINC000852443452	FF	On-Demand	Anodyne	GPR119	30	41
CS(=O)(=O)CC1(CCNC(=O)N2CCC[C@@H](c3ccccc3)CC2)CC1	ZINC000852443470	GG	On-Demand	Anodyne	EPHX2	28	42
CS(=O)(=O)CC1(CCNC(=O)N2CCC[C@H](c3ccccc3)CC2)CC1	ZINC000852443472	GG	On-Demand	Anodyne	EPHX2	28	42
COC[C@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	ZINC000852443493	FD	On-Demand	Reactive	MTNR1A	29	42
COC[C@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	ZINC000852443493	FD	On-Demand	Reactive	MTNR1B	29	46
COC[C@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	ZINC000852443494	FD	On-Demand	Reactive	MTNR1A	29	42
COC[C@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	ZINC000852443494	FD	On-Demand	Reactive	MTNR1B	29	46
COC[C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	ZINC000852443495	FD	On-Demand	Reactive	MTNR1A	29	42
COC[C@@H](N[C@H](C)C(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	ZINC000852443495	FD	On-Demand	Reactive	MTNR1B	29	46
COC[C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	ZINC000852443496	FD	On-Demand	Reactive	MTNR1A	29	42
COC[C@@H](N[C@@H](C)C(=O)NNC(=O)CC(C)C)c1cccc(OC)c1	ZINC000852443496	FD	On-Demand	Reactive	MTNR1B	29	46
COC[C@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852443515	DD	On-Demand	Anodyne	DRD4	45	35
COC[C@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852443515	DD	On-Demand	Anodyne	MTNR1A	41	38
COC[C@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852443515	DD	On-Demand	Anodyne	MTNR1B	50	38
COC[C@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852443515	DD	On-Demand	Anodyne	DPP7	18	44
COC[C@@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852443516	DD	On-Demand	Anodyne	DRD4	45	35
COC[C@@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852443516	DD	On-Demand	Anodyne	MTNR1A	41	38
COC[C@@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852443516	DD	On-Demand	Anodyne	MTNR1B	50	38
COC[C@@H](NCCC(=O)N1CCCC1)c1cccc(OC)c1	ZINC000852443516	DD	On-Demand	Anodyne	DPP7	18	44
COc1ccc(N2CC[C@H](NC(=O)NCc3cnc(C(F)(F)F)nc3)C2)cc1	ZINC000852443518	GF	On-Demand	Clean	MCHR1	20	43
COC(=O)C12CC(CN1CC1CCN(C(=O)OCc3ccccc3)CC1)C2	ZINC000852443529	FF	On-Demand	Anodyne	GRIN2B	53	52
COC(=O)C12CC(CN1CC1CCN(C(=O)OCc3ccccc3)CC1)C2	ZINC000852443529	FF	On-Demand	Anodyne	PREP	25	40
COC(=O)C12CC(CN1CC1CCN(C(=O)OCc3ccccc3)CC1)C2	ZINC000852443529	FF	On-Demand	Anodyne	LGMN	48	38
COC(=O)C12CC(CN1CC1CCN(C(=O)OCc3ccccc3)CC1)C2	ZINC000852443529	FF	On-Demand	Anodyne	TGM2	41	44
COC(=O)C12CC(CN1CC1CCN(C(=O)OCc3ccccc3)CC1)C2	ZINC000852443529	FF	On-Demand	Anodyne	F13A1	42	44
COC(=O)C12CC(CN1CC1CCN(C(=O)OCc3ccccc3)CC1)C2	ZINC000852443529	FF	On-Demand	Anodyne	CCR8	26	42
COC(=O)C12CC(CN1CC1CCN(C(=O)OCc3ccccc3)CC1)C2	ZINC000852443529	FF	On-Demand	Anodyne	SLC12A5	69	43
O=C1OCCN1[C@@H]1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)C1	ZINC000852443570	DG	On-Demand	Anodyne	CCR5	17	42
O=C1OCCN1[C@H]1CCN(C[C@@H]2CC[C@@H](c3ccccc3)C2)C1	ZINC000852443572	DG	On-Demand	Anodyne	CCR5	17	42
COC(=O)c1ccc2nc(CN3CC[C@@H](N4CCOC4=O)C3)[nH]c2c1	ZINC000852443606	ED	On-Demand	Anodyne	PDE11A	45	32
COC(=O)c1ccc2nc(CN3CC[C@H](N4CCOC4=O)C3)[nH]c2c1	ZINC000852443607	ED	On-Demand	Anodyne	PDE11A	45	32
O=C1OCCN1[C@H]1CCN(Cc2ccc(Cl)c3ccccc23)C1	ZINC000852443609	EH	On-Demand	Anodyne	PDE11A	43	34
O=C1OCCN1[C@@H]1CCN(Cc2ccc(Cl)c3ccccc23)C1	ZINC000852443610	EH	On-Demand	Anodyne	PDE11A	43	34
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852443637	GG	On-Demand	Reactive	ACE2	40	34
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)CC(C)C	ZINC000852443638	DF	On-Demand	Anodyne	MTNR1B	28	41
CCC(=O)NNC(=O)[C@H](C)N[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852443641	GG	On-Demand	Reactive	ACE2	40	34
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852443644	GG	On-Demand	Reactive	ACE2	40	34
CCC(=O)NNC(=O)[C@H](C)N[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852443647	GG	On-Demand	Reactive	ACE2	40	34
O=C1OCCN1[C@H]1CCN(Cc2cc(O)nc(-c3ccccc3)n2)C1	ZINC000852443668	ED	On-Demand	Anodyne	PDE11A	53	34
O=C1OCCN1[C@@H]1CCN(Cc2cc(O)nc(-c3ccccc3)n2)C1	ZINC000852443669	ED	On-Demand	Anodyne	PDE11A	53	34
COC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443712	EG	On-Demand	Anodyne	ADRB2	21	41
COC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443712	EG	On-Demand	Anodyne	ADRB3	44	46
COC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443712	EG	On-Demand	Anodyne	AOC3	15	53
COC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443713	EG	On-Demand	Anodyne	ADRB2	21	41
COC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443713	EG	On-Demand	Anodyne	ADRB3	44	46
COC[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443713	EG	On-Demand	Anodyne	AOC3	15	53
COC[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443714	EG	On-Demand	Anodyne	ADRB2	21	41
COC[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443714	EG	On-Demand	Anodyne	ADRB3	44	46
COC[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443714	EG	On-Demand	Anodyne	AOC3	15	53
COC[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443715	EG	On-Demand	Anodyne	ADRB2	21	41
COC[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443715	EG	On-Demand	Anodyne	ADRB3	44	46
COC[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(OC)c1	ZINC000852443715	EG	On-Demand	Anodyne	AOC3	15	53
CS(=O)(=O)CC1(CCNC(=O)NC[C@H](O)c2cccc(Cl)c2)CC1	ZINC000852443716	FD	On-Demand	Anodyne	ADRB1	34	40
CS(=O)(=O)CC1(CCNC(=O)NC[C@H](O)c2cccc(Cl)c2)CC1	ZINC000852443716	FD	On-Demand	Anodyne	ADRB3	52	41
CS(=O)(=O)CC1(CCNC(=O)NC[C@@H](O)c2cccc(Cl)c2)CC1	ZINC000852443717	FD	On-Demand	Anodyne	ADRB1	34	40
CS(=O)(=O)CC1(CCNC(=O)NC[C@@H](O)c2cccc(Cl)c2)CC1	ZINC000852443717	FD	On-Demand	Anodyne	ADRB3	52	41
CS(=O)(=O)CC1(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)CC1	ZINC000852443729	GD	On-Demand	Anodyne	ADRB1	32	41
CS(=O)(=O)CC1(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)CC1	ZINC000852443729	GD	On-Demand	Anodyne	GRIN1	17	45
CS(=O)(=O)CC1(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)CC1	ZINC000852443731	GD	On-Demand	Anodyne	ADRB1	32	41
CS(=O)(=O)CC1(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)CC1	ZINC000852443731	GD	On-Demand	Anodyne	GRIN1	17	45
COC[C@H](NCc1cncc2ccccc12)c1cccc(OC)c1	ZINC000852443748	DH	On-Demand	Anodyne	CYP11B2	15	41
COC[C@@H](NCc1cncc2ccccc12)c1cccc(OC)c1	ZINC000852443750	DH	On-Demand	Anodyne	CYP11B2	15	41
COC[C@@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(OC)c1	ZINC000852443814	FH	On-Demand	Anodyne	LUCI_PHOPY	83	61
COC[C@H](NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(OC)c1	ZINC000852443815	FH	On-Demand	Anodyne	LUCI_PHOPY	83	61
COC[C@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(OC)c1	ZINC000852443817	FH	On-Demand	Anodyne	LUCI_PHOPY	83	61
COC[C@@H](NC[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1cccc(OC)c1	ZINC000852443818	FH	On-Demand	Anodyne	LUCI_PHOPY	83	61
COC(=O)C12CC(CN1CC[C@@H](O)c1ccccc1)C2	ZINC000852443833	CD	On-Demand	Anodyne	SLC6A3	20	40
COC(=O)C12CC(CN1CC[C@H](O)c1ccccc1)C2	ZINC000852443834	CD	On-Demand	Anodyne	SLC6A3	20	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC[C@H](O)c1ccccc1	ZINC000852443873	EF	On-Demand	Anodyne	MTNR1A	35	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC[C@H](O)c1ccccc1	ZINC000852443873	EF	On-Demand	Anodyne	MTNR1B	35	44
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC[C@H](O)c1ccccc1	ZINC000852443873	EF	On-Demand	Anodyne	AOC3	28	50
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cc2ccccc2o1	ZINC000852443883	FG	On-Demand	Anodyne	AOC3	20	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cccc(C(=O)C(F)(F)F)c1	ZINC000852443889	GH	On-Demand	Anodyne	CSNK1D	20	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cccc(C(=O)C(F)(F)F)c1	ZINC000852443889	GH	On-Demand	Anodyne	HSD17B2	24	40
O=C(CCCN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443896	DE	On-Demand	Anodyne	HTR2A	22	49
O=C(CCCN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443896	DE	On-Demand	Anodyne	HTR2C	15	49
O=C(CCCN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443896	DE	On-Demand	Anodyne	SLC6A1	80	37
O=C(CCCN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443896	DE	On-Demand	Anodyne	SIGMAR1	15	48
O=C(CCCN1CC[C@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443896	DE	On-Demand	Anodyne	CYP2J2	65	46
O=C(CCCN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443897	DE	On-Demand	Anodyne	HTR2A	22	49
O=C(CCCN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443897	DE	On-Demand	Anodyne	HTR2C	15	49
O=C(CCCN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443897	DE	On-Demand	Anodyne	SLC6A1	80	37
O=C(CCCN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443897	DE	On-Demand	Anodyne	SIGMAR1	15	48
O=C(CCCN1CC[C@@H](N2CCOC2=O)C1)c1ccccc1	ZINC000852443897	DE	On-Demand	Anodyne	CYP2J2	65	46
O=C1OCCN1[C@@H]1CCN(CCc2nsc3ccccc23)C1	ZINC000852443900	DE	On-Demand	Anodyne	PDE11A	48	32
O=C1OCCN1[C@H]1CCN(CCc2nsc3ccccc23)C1	ZINC000852443901	DE	On-Demand	Anodyne	PDE11A	48	32
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC[S@](C)=O	ZINC000852443916	CD	On-Demand	Anodyne	AOC3	15	46
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC[S@@](C)=O	ZINC000852443917	CD	On-Demand	Anodyne	AOC3	15	46
COC(=O)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1Cl	ZINC000852443948	EE	On-Demand	Anodyne	CCR3	28	40
COC(=O)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1Cl	ZINC000852443948	EE	On-Demand	Anodyne	MCHR1	27	41
COC(=O)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1Cl	ZINC000852443949	EE	On-Demand	Anodyne	CCR3	28	40
COC(=O)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1Cl	ZINC000852443949	EE	On-Demand	Anodyne	MCHR1	27	41
COC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(OC)c1	ZINC000852443965	FF	On-Demand	Bother	CACNA1D	56	35
COC[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(OC)c1	ZINC000852443969	FF	On-Demand	Bother	CACNA1D	56	35
COC(=O)C12CC(CN1Cc1cc(Cl)nc3ccccc13)C2	ZINC000852443987	DG	On-Demand	Anodyne	ADAM17	70	37
COC[C@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852444017	GF	On-Demand	Anodyne	HTR1A	21	41
COC[C@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852444017	GF	On-Demand	Anodyne	DRD2	18	41
COC[C@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852444017	GF	On-Demand	Anodyne	DRD4	53	41
COC[C@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852444017	GF	On-Demand	Anodyne	DRD3	31	40
COC[C@@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852444019	GF	On-Demand	Anodyne	HTR1A	21	41
COC[C@@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852444019	GF	On-Demand	Anodyne	DRD2	18	41
COC[C@@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852444019	GF	On-Demand	Anodyne	DRD4	53	41
COC[C@@H](NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(OC)c1	ZINC000852444019	GF	On-Demand	Anodyne	DRD3	31	40
COC[C@H](NCc1ccccc1CC(=O)OC)c1cccc(OC)c1	ZINC000852444021	EF	On-Demand	Anodyne	MTNR1A	35	40
COC[C@H](NCc1ccccc1CC(=O)OC)c1cccc(OC)c1	ZINC000852444021	EF	On-Demand	Anodyne	MTNR1B	35	40
COC[C@@H](NCc1ccccc1CC(=O)OC)c1cccc(OC)c1	ZINC000852444023	EF	On-Demand	Anodyne	MTNR1A	35	40
COC[C@@H](NCc1ccccc1CC(=O)OC)c1cccc(OC)c1	ZINC000852444023	EF	On-Demand	Anodyne	MTNR1B	35	40
CN(C)C(=O)OC1CCN(C(=O)NCc2cnc(C(F)(F)F)nc2)CC1	ZINC000852444025	GD	On-Demand	Anodyne	EPHX2	16	42
COC(=O)C12CC(CN1C[C@H](O)c1ccccc1Cl)C2	ZINC000852444068	CE	On-Demand	Anodyne	OPRL1	40	43
CS(=O)(=O)CC1(CCNC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)CC1	ZINC000852444074	GG	On-Demand	Anodyne	ADRA1A	53	38
CS(=O)(=O)CC1(CCNC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)CC1	ZINC000852444076	GG	On-Demand	Anodyne	ADRA1A	53	38
COC[C@H](NC[C@H](O)c1cccc2ccccc12)c1cccc(OC)c1	ZINC000852444078	FH	On-Demand	Anodyne	ADRB2	22	41
COC[C@H](NC[C@H](O)c1cccc2ccccc12)c1cccc(OC)c1	ZINC000852444078	FH	On-Demand	Anodyne	CASR	15	41
COC[C@H](NC[C@H](O)c1cccc2ccccc12)c1cccc(OC)c1	ZINC000852444078	FH	On-Demand	Anodyne	MTNR1A	18	49
COC[C@@H](NC[C@H](O)c1cccc2ccccc12)c1cccc(OC)c1	ZINC000852444080	FH	On-Demand	Anodyne	ADRB2	22	41
COC[C@@H](NC[C@H](O)c1cccc2ccccc12)c1cccc(OC)c1	ZINC000852444080	FH	On-Demand	Anodyne	CASR	15	41
COC[C@@H](NC[C@H](O)c1cccc2ccccc12)c1cccc(OC)c1	ZINC000852444080	FH	On-Demand	Anodyne	MTNR1A	18	49
COC[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1cccc(OC)c1	ZINC000852444082	EF	On-Demand	Anodyne	ROCK1	15	40
COC[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1cccc(OC)c1	ZINC000852444082	EF	On-Demand	Anodyne	MTNR1A	17	42
COC[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1cccc(OC)c1	ZINC000852444082	EF	On-Demand	Anodyne	MTNR1B	23	42
COC[C@H](NCC(=O)Nc1ccc(Cl)nc1)c1cccc(OC)c1	ZINC000852444082	EF	On-Demand	Anodyne	ENPP1	40	32
COC[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1cccc(OC)c1	ZINC000852444084	EF	On-Demand	Anodyne	ROCK1	15	40
COC[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1cccc(OC)c1	ZINC000852444084	EF	On-Demand	Anodyne	MTNR1A	17	42
COC[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1cccc(OC)c1	ZINC000852444084	EF	On-Demand	Anodyne	MTNR1B	23	42
COC[C@@H](NCC(=O)Nc1ccc(Cl)nc1)c1cccc(OC)c1	ZINC000852444084	EF	On-Demand	Anodyne	ENPP1	40	32
COC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444086	EF	On-Demand	Bother	CACNA1C	51	38
COC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444086	EF	On-Demand	Bother	ADRB3	23	45
COC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444086	EF	On-Demand	Bother	CACNA1D	80	38
COC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444088	EF	On-Demand	Bother	CACNA1C	51	38
COC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444088	EF	On-Demand	Bother	ADRB3	23	45
COC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444088	EF	On-Demand	Bother	CACNA1D	80	38
COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444090	EF	On-Demand	Bother	CACNA1C	51	38
COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444090	EF	On-Demand	Bother	ADRB3	23	45
COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444090	EF	On-Demand	Bother	CACNA1D	80	38
COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444092	EF	On-Demand	Bother	CACNA1C	51	38
COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444092	EF	On-Demand	Bother	ADRB3	23	45
COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852444092	EF	On-Demand	Bother	CACNA1D	80	38
COC[C@@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444096	DG	On-Demand	Anodyne	CASR	19	41
COC[C@@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444096	DG	On-Demand	Anodyne	MTNR1A	20	45
COC[C@@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444096	DG	On-Demand	Anodyne	MTNR1B	24	45
COC[C@@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444096	DG	On-Demand	Anodyne	AOC3	15	49
COC[C@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444098	DG	On-Demand	Anodyne	CASR	19	41
COC[C@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444098	DG	On-Demand	Anodyne	MTNR1A	20	45
COC[C@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444098	DG	On-Demand	Anodyne	MTNR1B	24	45
COC[C@H](NCC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444098	DG	On-Demand	Anodyne	AOC3	15	49
COC[C@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444100	DG	On-Demand	Anodyne	CASR	19	41
COC[C@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444100	DG	On-Demand	Anodyne	MTNR1A	20	45
COC[C@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444100	DG	On-Demand	Anodyne	MTNR1B	24	45
COC[C@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444100	DG	On-Demand	Anodyne	AOC3	15	49
COC[C@@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444102	DG	On-Demand	Anodyne	CASR	19	41
COC[C@@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444102	DG	On-Demand	Anodyne	MTNR1A	20	45
COC[C@@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444102	DG	On-Demand	Anodyne	MTNR1B	24	45
COC[C@@H](NCC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444102	DG	On-Demand	Anodyne	AOC3	15	49
COc1cccc([C@H](O)CNC(=O)NCCC2(CS(C)(=O)=O)CC2)c1	ZINC000852444106	FD	On-Demand	Anodyne	ADRB3	42	44
COC[C@@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444127	FF	On-Demand	Anodyne	ADRB2	22	46
COC[C@@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444127	FF	On-Demand	Anodyne	ADRB3	22	41
COC[C@@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444127	FF	On-Demand	Anodyne	MTNR1A	15	42
COC[C@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444130	FF	On-Demand	Anodyne	ADRB2	22	46
COC[C@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444130	FF	On-Demand	Anodyne	ADRB3	22	41
COC[C@H](NC[C@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444130	FF	On-Demand	Anodyne	MTNR1A	15	42
COC[C@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444132	FF	On-Demand	Anodyne	ADRB2	22	46
COC[C@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444132	FF	On-Demand	Anodyne	ADRB3	22	41
COC[C@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444132	FF	On-Demand	Anodyne	MTNR1A	15	42
C#C[C@H]1CCCN(C(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852444133	DD	On-Demand	Mild	DPP7	40	34
COC[C@@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444134	FF	On-Demand	Anodyne	ADRB2	22	46
COC[C@@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444134	FF	On-Demand	Anodyne	ADRB3	22	41
COC[C@@H](NC[C@@H](O)c1cc(OC)ccc1OC)c1cccc(OC)c1	ZINC000852444134	FF	On-Demand	Anodyne	MTNR1A	15	42
C#C[C@@H]1CCCN(C(=O)NCc2ccc(CNC(C)=O)cc2)C1	ZINC000852444135	DD	On-Demand	Mild	DPP7	40	34
CCOC(=O)N1CCC(NC(=O)NCCC2(CS(C)(=O)=O)CC2)CC1	ZINC000852444140	GD	On-Demand	Anodyne	EPHX2	25	42
O=C1OCCN1[C@H]1CCN(CCc2ccc(Cl)cc2)C1	ZINC000852444168	CE	On-Demand	Anodyne	SIGMAR1	19	42
O=C1OCCN1[C@@H]1CCN(CCc2ccc(Cl)cc2)C1	ZINC000852444169	CE	On-Demand	Anodyne	SIGMAR1	19	42
O=C1OCCN1[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2)C1	ZINC000852444184	EF	On-Demand	Anodyne	HCRTR1	15	43
O=C1OCCN1[C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2)C1	ZINC000852444184	EF	On-Demand	Anodyne	HCRTR2	15	43
O=C1OCCN1[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2)C1	ZINC000852444185	EF	On-Demand	Anodyne	HCRTR1	15	43
O=C1OCCN1[C@H]1CCN(Cc2cccc(OC(F)(F)F)c2)C1	ZINC000852444185	EF	On-Demand	Anodyne	HCRTR2	15	43
COC[C@H](NC[C@@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444190	DE	On-Demand	Anodyne	ADRB2	26	42
COC[C@H](NC[C@@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444190	DE	On-Demand	Anodyne	ADRB1	25	43
COC[C@H](NC[C@@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444190	DE	On-Demand	Anodyne	ADRB3	63	43
COC[C@@H](NC[C@@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444191	DE	On-Demand	Anodyne	ADRB2	26	42
COC[C@@H](NC[C@@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444191	DE	On-Demand	Anodyne	ADRB1	25	43
COC[C@@H](NC[C@@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444191	DE	On-Demand	Anodyne	ADRB3	63	43
COC[C@H](NC[C@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444192	DE	On-Demand	Anodyne	ADRB2	26	42
COC[C@H](NC[C@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444192	DE	On-Demand	Anodyne	ADRB1	25	43
COC[C@H](NC[C@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444192	DE	On-Demand	Anodyne	ADRB3	63	43
COC[C@@H](NC[C@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444193	DE	On-Demand	Anodyne	ADRB2	26	42
COC[C@@H](NC[C@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444193	DE	On-Demand	Anodyne	ADRB1	25	43
COC[C@@H](NC[C@H](O)c1cccnc1)c1cccc(OC)c1	ZINC000852444193	DE	On-Demand	Anodyne	ADRB3	63	43
COC[C@H](NCC(=O)NNC(=O)C(C)C)c1cccc(OC)c1	ZINC000852444200	DC	On-Demand	Reactive	MTNR1A	33	40
COC[C@H](NCC(=O)NNC(=O)C(C)C)c1cccc(OC)c1	ZINC000852444200	DC	On-Demand	Reactive	MTNR1B	34	42
COC[C@@H](NCC(=O)NNC(=O)C(C)C)c1cccc(OC)c1	ZINC000852444201	DC	On-Demand	Reactive	MTNR1A	33	40
COC[C@@H](NCC(=O)NNC(=O)C(C)C)c1cccc(OC)c1	ZINC000852444201	DC	On-Demand	Reactive	MTNR1B	34	42
COC(=O)C12CC(CN1Cc1ccc(OC)cc1)C2	ZINC000852444212	CD	On-Demand	Anodyne	SIGMAR1	17	43
COC(=O)C12CC(CN1Cc1ccc(OC)cc1)C2	ZINC000852444212	CD	On-Demand	Anodyne	MMP13	40	40
COC(=O)C12CC(CN1Cc1ccc(OC)cc1)C2	ZINC000852444212	CD	On-Demand	Anodyne	ADAM17	16	40
COC(=O)C12CC(CN1Cc1ccc(OC)cc1)C2	ZINC000852444212	CD	On-Demand	Anodyne	MMP2	18	40
COC(=O)C12CC(CN1Cc1ccc(OC)cc1)C2	ZINC000852444212	CD	On-Demand	Anodyne	MMP3	41	38
COC(=O)C12CC(CN1Cc1ccc(OC)cc1)C2	ZINC000852444212	CD	On-Demand	Anodyne	MMP9	37	40
COC(=O)C12CC(CN1Cc1ccc(OC)cc1)C2	ZINC000852444212	CD	On-Demand	Anodyne	MMP1	44	44
COC(=O)C12CC(CN1Cc1ccc(OC)cc1)C2	ZINC000852444212	CD	On-Demand	Anodyne	PROKR1	59	32
O=C1OCCN1[C@@H]1CCN(CC[C@H](O)c2ccccc2)C1	ZINC000852444253	CD	On-Demand	Anodyne	SLC6A3	16	46
O=C1OCCN1[C@@H]1CCN(CC[C@H](O)c2ccccc2)C1	ZINC000852444253	CD	On-Demand	Anodyne	CCR5	38	55
O=C1OCCN1[C@H]1CCN(CC[C@H](O)c2ccccc2)C1	ZINC000852444255	CD	On-Demand	Anodyne	SLC6A3	16	46
O=C1OCCN1[C@H]1CCN(CC[C@H](O)c2ccccc2)C1	ZINC000852444255	CD	On-Demand	Anodyne	CCR5	38	55
COC[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1	ZINC000852444294	FG	On-Demand	Anodyne	SLC6A3	15	44
O=C1OCCN1[C@@H]1CCN([C@@H]2CCC[C@H]2O)C1	ZINC000852444295	BC	On-Demand	Anodyne	SLC18A3	27	40
O=C1OCCN1[C@H]1CCN([C@@H]2CCC[C@H]2O)C1	ZINC000852444297	BC	On-Demand	Anodyne	SLC18A3	27	40
COC[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1	ZINC000852444298	FG	On-Demand	Anodyne	SLC6A3	15	44
COC[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1	ZINC000852444300	FG	On-Demand	Anodyne	SLC6A3	15	44
COC[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1	ZINC000852444303	FG	On-Demand	Anodyne	SLC6A3	15	44
COC(=O)C12CC(CN1CC(=O)NOCc1ccccc1)C2	ZINC000852444321	DC	On-Demand	Anodyne	SLC12A5	63	42
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)N1CCCC1	ZINC000852444342	ED	On-Demand	Anodyne	DRD4	41	32
COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCC(=O)N1CCCC1	ZINC000852444342	ED	On-Demand	Anodyne	DPP7	15	42
COC(=O)C12CC(CN1CCC(=O)OCc1ccccc1)C2	ZINC000852444353	DD	On-Demand	Anodyne	CTSK	19	40
COC(=O)C12CC(CN1CCC(=O)OCc1ccccc1)C2	ZINC000852444353	DD	On-Demand	Anodyne	CTSL	20	40
COC(=O)C12CC(CN1CCC(=O)OCc1ccccc1)C2	ZINC000852444353	DD	On-Demand	Anodyne	SLC12A5	69	42
COC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852444395	FD	On-Demand	Reactive	DRD4	43	36
COC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852444395	FD	On-Demand	Reactive	CTSL	18	41
COC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852444395	FD	On-Demand	Reactive	KCNK3	57	48
COC[C@@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852444395	FD	On-Demand	Reactive	KCNK9	42	36
COC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852444396	FD	On-Demand	Reactive	DRD4	43	36
COC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852444396	FD	On-Demand	Reactive	CTSL	18	41
COC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852444396	FD	On-Demand	Reactive	KCNK3	57	48
COC[C@H](NCC(=O)NNC(=O)c1cccc(C)c1)c1cccc(OC)c1	ZINC000852444396	FD	On-Demand	Reactive	KCNK9	42	36
COC(=O)C12CC(CN1C[C@H]1CC(c3ccc(Cl)cc3)=NO1)C2	ZINC000852444399	EE	On-Demand	Anodyne	LUCI_PHOPY	72	45
COC(=O)C12CC(CN1C[C@@H]1CC(c3ccc(Cl)cc3)=NO1)C2	ZINC000852444401	EE	On-Demand	Anodyne	LUCI_PHOPY	72	45
COC[C@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852444402	EF	On-Demand	Anodyne	MTNR1A	22	43
COC[C@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852444402	EF	On-Demand	Anodyne	MTNR1B	25	43
COC[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852444404	EF	On-Demand	Anodyne	MTNR1A	22	43
COC[C@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852444404	EF	On-Demand	Anodyne	MTNR1B	25	43
COC[C@@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852444406	EF	On-Demand	Anodyne	MTNR1A	22	43
COC[C@@H](NC[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852444406	EF	On-Demand	Anodyne	MTNR1B	25	43
COC[C@@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852444407	EF	On-Demand	Anodyne	MTNR1A	22	43
COC[C@@H](NC[C@H](C)NC(=O)OC(C)(C)C)c1cccc(OC)c1	ZINC000852444407	EF	On-Demand	Anodyne	MTNR1B	25	43
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCc2cc(Cl)nnc2C1	ZINC000852444411	FE	On-Demand	Anodyne	MAPK1	51	44
COC[C@@H](NC[C@@H]1CCc2ccccc21)c1cccc(OC)c1	ZINC000852444429	DH	On-Demand	Anodyne	NQO2	18	41
COC[C@@H](NC[C@@H]1CCc2ccccc21)c1cccc(OC)c1	ZINC000852444429	DH	On-Demand	Anodyne	MTNR1A	15	44
COC[C@H](NC[C@@H]1CCc2ccccc21)c1cccc(OC)c1	ZINC000852444430	DH	On-Demand	Anodyne	NQO2	18	41
COC[C@H](NC[C@@H]1CCc2ccccc21)c1cccc(OC)c1	ZINC000852444430	DH	On-Demand	Anodyne	MTNR1A	15	44
COC[C@H](NC[C@H]1CCc2ccccc21)c1cccc(OC)c1	ZINC000852444431	DH	On-Demand	Anodyne	NQO2	18	41
COC[C@H](NC[C@H]1CCc2ccccc21)c1cccc(OC)c1	ZINC000852444431	DH	On-Demand	Anodyne	MTNR1A	15	44
COC[C@@H](NC[C@H]1CCc2ccccc21)c1cccc(OC)c1	ZINC000852444433	DH	On-Demand	Anodyne	NQO2	18	41
COC[C@@H](NC[C@H]1CCc2ccccc21)c1cccc(OC)c1	ZINC000852444433	DH	On-Demand	Anodyne	MTNR1A	15	44
COC[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444447	FH	On-Demand	Anodyne	ADRB2	28	57
COC[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444447	FH	On-Demand	Anodyne	ADRB3	37	50
COC[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444447	FH	On-Demand	Anodyne	CASR	23	42
COC[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444447	FH	On-Demand	Anodyne	MTNR1A	19	50
COC[C@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444447	FH	On-Demand	Anodyne	UTS2	23	40
COC[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444448	FH	On-Demand	Anodyne	ADRB2	28	57
COC[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444448	FH	On-Demand	Anodyne	ADRB3	37	50
COC[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444448	FH	On-Demand	Anodyne	CASR	23	42
COC[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444448	FH	On-Demand	Anodyne	MTNR1A	19	50
COC[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444448	FH	On-Demand	Anodyne	UTS2	23	40
COC[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444449	FH	On-Demand	Anodyne	ADRB2	28	57
COC[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444449	FH	On-Demand	Anodyne	ADRB3	37	50
COC[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444449	FH	On-Demand	Anodyne	CASR	23	42
COC[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444449	FH	On-Demand	Anodyne	MTNR1A	19	50
COC[C@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444449	FH	On-Demand	Anodyne	UTS2	23	40
COC[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444450	FH	On-Demand	Anodyne	ADRB2	28	57
COC[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444450	FH	On-Demand	Anodyne	ADRB3	37	50
COC[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444450	FH	On-Demand	Anodyne	CASR	23	42
COC[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444450	FH	On-Demand	Anodyne	MTNR1A	19	50
COC[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1cccc(OC)c1	ZINC000852444450	FH	On-Demand	Anodyne	UTS2	23	40
COC[C@@H](NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852444451	FG	On-Demand	Anodyne	GPR119	37	41
COC[C@@H](NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852444452	FG	On-Demand	Anodyne	GPR119	37	41
COC[C@H](NC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852444453	FG	On-Demand	Anodyne	GPR119	37	41
COC[C@H](NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852444454	FG	On-Demand	Anodyne	GPR119	37	41
Cn1c(=O)c(CN2CC[C@H](N3CCOC3=O)C2)cc2ccccc21	ZINC000852444487	ED	On-Demand	Anodyne	PDE11A	60	33
Cn1c(=O)c(CN2CC[C@H](N3CCOC3=O)C2)cc2ccccc21	ZINC000852444487	ED	On-Demand	Anodyne	NPSR1	33	43
Cn1c(=O)c(CN2CC[C@@H](N3CCOC3=O)C2)cc2ccccc21	ZINC000852444490	ED	On-Demand	Anodyne	PDE11A	60	33
Cn1c(=O)c(CN2CC[C@@H](N3CCOC3=O)C2)cc2ccccc21	ZINC000852444490	ED	On-Demand	Anodyne	NPSR1	33	43
COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1Cl	ZINC000852444503	DE	On-Demand	Anodyne	DRD4	35	44
COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1Cl	ZINC000852444503	DE	On-Demand	Anodyne	SSTR5	41	37
COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1Cl	ZINC000852444503	DE	On-Demand	Anodyne	CCR8	18	47
COc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1Cl	ZINC000852444504	DE	On-Demand	Anodyne	DRD4	35	44
COc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1Cl	ZINC000852444504	DE	On-Demand	Anodyne	SSTR5	41	37
COc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1Cl	ZINC000852444504	DE	On-Demand	Anodyne	CCR8	18	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CNC(C)=O)cc3)C2)cc1	ZINC000852444550	GE	On-Demand	Clean	MTNR1A	42	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CNC(C)=O)cc3)C2)cc1	ZINC000852444550	GE	On-Demand	Clean	MTNR1B	39	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CNC(C)=O)cc3)C2)cc1	ZINC000852444550	GE	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CNC(C)=O)cc3)C2)cc1	ZINC000852444550	GE	On-Demand	Clean	MCHR1	20	52
COC[C@H](NCc1cccc(C(=O)C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852444557	FH	On-Demand	Anodyne	PDS	42	36
COC[C@@H](NCc1cccc(C(=O)C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852444564	FH	On-Demand	Anodyne	PDS	42	36
COC[C@H](NCCC(=O)N(C)OC)c1cccc(OC)c1	ZINC000852444593	CD	On-Demand	Anodyne	DRD4	40	30
COC[C@@H](NCCC(=O)N(C)OC)c1cccc(OC)c1	ZINC000852444598	CD	On-Demand	Anodyne	DRD4	40	30
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cncc(C(F)(F)F)c1	ZINC000852444667	FG	On-Demand	Anodyne	CSNK1D	26	43
COC[C@@H](NCCCOC(=O)NC(N)=O)c1cccc(OC)c1	ZINC000852444715	ED	On-Demand	Anodyne	MTNR1A	33	40
COC[C@@H](NCCCOC(=O)NC(N)=O)c1cccc(OC)c1	ZINC000852444715	ED	On-Demand	Anodyne	MTNR1B	34	40
COC[C@H](NCCCOC(=O)NC(N)=O)c1cccc(OC)c1	ZINC000852444716	ED	On-Demand	Anodyne	MTNR1A	33	40
COC[C@H](NCCCOC(=O)NC(N)=O)c1cccc(OC)c1	ZINC000852444716	ED	On-Demand	Anodyne	MTNR1B	34	40
COC[C@@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444738	DF	On-Demand	Anodyne	ADRB2	32	44
COC[C@@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444738	DF	On-Demand	Anodyne	ADRB1	32	42
COC[C@@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444738	DF	On-Demand	Anodyne	ADRB3	48	52
COC[C@@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444738	DF	On-Demand	Anodyne	MTNR1A	20	41
COC[C@@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444738	DF	On-Demand	Anodyne	MTNR1B	25	41
COC[C@@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444738	DF	On-Demand	Anodyne	AOC3	20	58
COC[C@@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444739	DF	On-Demand	Anodyne	ADRB2	32	44
COC[C@@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444739	DF	On-Demand	Anodyne	ADRB1	32	42
COC[C@@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444739	DF	On-Demand	Anodyne	ADRB3	48	52
COC[C@@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444739	DF	On-Demand	Anodyne	MTNR1A	20	41
COC[C@@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444739	DF	On-Demand	Anodyne	MTNR1B	25	41
COC[C@@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444739	DF	On-Demand	Anodyne	AOC3	20	58
COC[C@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444740	DF	On-Demand	Anodyne	ADRB2	32	44
COC[C@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444740	DF	On-Demand	Anodyne	ADRB1	32	42
COC[C@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444740	DF	On-Demand	Anodyne	ADRB3	48	52
COC[C@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444740	DF	On-Demand	Anodyne	MTNR1A	20	41
COC[C@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444740	DF	On-Demand	Anodyne	MTNR1B	25	41
COC[C@H](NC[C@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444740	DF	On-Demand	Anodyne	AOC3	20	58
COC[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444741	DF	On-Demand	Anodyne	ADRB2	32	44
COC[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444741	DF	On-Demand	Anodyne	ADRB1	32	42
COC[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444741	DF	On-Demand	Anodyne	ADRB3	48	52
COC[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444741	DF	On-Demand	Anodyne	MTNR1A	20	41
COC[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444741	DF	On-Demand	Anodyne	MTNR1B	25	41
COC[C@H](NC[C@@H](O)c1ccccc1)c1cccc(OC)c1	ZINC000852444741	DF	On-Demand	Anodyne	AOC3	20	58
COC(=O)C12CC(CN1Cc1ccc(Cl)cc1C)C2	ZINC000852444742	CF	On-Demand	Anodyne	P2RX7	26	44
COC[C@@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852444745	EE	On-Demand	Anodyne	MTNR1A	32	40
COC[C@@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852444745	EE	On-Demand	Anodyne	MTNR1B	36	40
COC[C@@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852444745	EE	On-Demand	Anodyne	CAPN1	18	40
COC[C@@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852444745	EE	On-Demand	Anodyne	PDS	43	39
COC[C@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852444746	EE	On-Demand	Anodyne	MTNR1A	32	40
COC[C@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852444746	EE	On-Demand	Anodyne	MTNR1B	36	40
COC[C@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852444746	EE	On-Demand	Anodyne	CAPN1	18	40
COC[C@H](NCC(=O)NOCc1ccccc1)c1cccc(OC)c1	ZINC000852444746	EE	On-Demand	Anodyne	PDS	43	39
COC[C@@H](NC[C@@H]1CNC(=O)O1)c1cccc(OC)c1	ZINC000852444756	CD	On-Demand	Anodyne	MAN1B1	49	37
COC[C@H](NC[C@@H]1CNC(=O)O1)c1cccc(OC)c1	ZINC000852444757	CD	On-Demand	Anodyne	MAN1B1	49	37
COC[C@@H](NC[C@H]1CNC(=O)O1)c1cccc(OC)c1	ZINC000852444758	CD	On-Demand	Anodyne	MAN1B1	49	37
COC[C@H](NC[C@H]1CNC(=O)O1)c1cccc(OC)c1	ZINC000852444759	CD	On-Demand	Anodyne	MAN1B1	49	37
COC(=O)C12CC(CN1CCCC1CCN(C(=O)OC(C)(C)C)CC1)C2	ZINC000852444766	FG	On-Demand	Anodyne	GPR119	30	43
COC(=O)C12CC(CN1CCOC(=O)Cc1ccccc1)C2	ZINC000852444767	DD	On-Demand	Anodyne	SLC12A5	45	37
COC[C@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852444771	GH	On-Demand	Anodyne	GPR119	38	45
COC[C@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852444772	GH	On-Demand	Anodyne	GPR119	38	45
COC[C@@H](NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852444773	GH	On-Demand	Anodyne	GPR119	38	45
COC[C@@H](NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc(OC)c1	ZINC000852444774	GH	On-Demand	Anodyne	GPR119	38	45
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1c(F)c(F)c(F)c(F)c1F	ZINC000852444898	GH	On-Demand	Anodyne	HSD17B2	28	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1c(F)c(F)c(F)c(F)c1F	ZINC000852444898	GH	On-Demand	Anodyne	AOC3	15	46
COc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1C	ZINC000852444931	CE	On-Demand	Anodyne	SSTR5	40	36
COc1cc(CN2CC[C@H](N3CCOC3=O)C2)ccc1C	ZINC000852444931	CE	On-Demand	Anodyne	CCR8	15	48
COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1C	ZINC000852444933	CE	On-Demand	Anodyne	SSTR5	40	36
COc1cc(CN2CC[C@@H](N3CCOC3=O)C2)ccc1C	ZINC000852444933	CE	On-Demand	Anodyne	CCR8	15	48
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccnc1	ZINC000852444971	ED	On-Demand	Anodyne	ADRB3	36	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccnc1	ZINC000852444971	ED	On-Demand	Anodyne	KCNA5	20	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1cccnc1	ZINC000852444971	ED	On-Demand	Anodyne	AOC3	18	53
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccnc1	ZINC000852444973	ED	On-Demand	Anodyne	ADRB3	36	41
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccnc1	ZINC000852444973	ED	On-Demand	Anodyne	KCNA5	20	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1cccnc1	ZINC000852444973	ED	On-Demand	Anodyne	AOC3	18	53
C#CCNC(=O)C1CCN(C(=O)N[C@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852445059	FE	On-Demand	Mild	CACNA1G	39	43
C#CCNC(=O)C1CCN(C(=O)N[C@@H](CC)Cc2ccc(F)cc2)CC1	ZINC000852445060	FE	On-Demand	Mild	CACNA1G	39	43
Nc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1	ZINC000852445083	CD	On-Demand	Anodyne	DRD4	24	40
Nc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1	ZINC000852445084	CD	On-Demand	Anodyne	DRD4	24	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cccc(Br)n1	ZINC000852445090	GG	On-Demand	Anodyne	MTNR1A	28	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)Cc1cccc(Br)n1	ZINC000852445090	GG	On-Demand	Anodyne	MTNR1B	28	40
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1	ZINC000852445102	GH	On-Demand	Anodyne	AOC3	24	51
COC(=O)[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)c1ccc(C(F)(F)F)cc1	ZINC000852445104	GH	On-Demand	Anodyne	AOC3	24	51
C#CCNC(=O)CN[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852445161	EG	On-Demand	Mild	ACACA	21	41
C#CCNC(=O)CN[C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852445161	EG	On-Demand	Mild	ACACB	19	41
C#CCNC(=O)CN[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852445162	EG	On-Demand	Mild	ACACA	21	41
C#CCNC(=O)CN[C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1	ZINC000852445162	EG	On-Demand	Mild	ACACB	19	41
C#CCNC(=O)CN[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852445163	EG	On-Demand	Mild	ACACA	21	41
C#CCNC(=O)CN[C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852445163	EG	On-Demand	Mild	ACACB	19	41
C#CCNC(=O)CN[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852445164	EG	On-Demand	Mild	ACACA	21	41
C#CCNC(=O)CN[C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1	ZINC000852445164	EG	On-Demand	Mild	ACACB	19	41
C#CC1CCN(C(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852445232	DD	On-Demand	Mild	EPHX2	17	40
C#CC1CCN(C(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852445232	DD	On-Demand	Mild	TPSAB1	22	41
C#CC1CCN(C(=O)NCc2ccc(CNC(C)=O)cc2)CC1	ZINC000852445232	DD	On-Demand	Mild	NAMPT	26	41
C#CC[C@@H]1CCCN(C(=O)N[C@@H](CC)Cc2ccc(F)cc2)C1	ZINC000852445287	DH	On-Demand	Mild	CCR3	84	36
C#CC[C@H]1CCCN(C(=O)N[C@H](CC)Cc2ccc(F)cc2)C1	ZINC000852445288	DH	On-Demand	Mild	CCR3	84	36
C#CC[C@@H]1CCCN(C(=O)N[C@H](CC)Cc2ccc(F)cc2)C1	ZINC000852445289	DH	On-Demand	Mild	CCR3	84	36
C#CC[C@H]1CCCN(C(=O)N[C@@H](CC)Cc2ccc(F)cc2)C1	ZINC000852445290	DH	On-Demand	Mild	CCR3	84	36
Cc1cccc(C(=O)NNC(=O)CN2CC3(CCC3)OC[C@@H]2C)c1	ZINC000852445335	ED	On-Demand	Reactive	KCNK3	42	34
Cc1cccc(C(=O)NNC(=O)CN2CC3(CCC3)OC[C@H]2C)c1	ZINC000852445336	ED	On-Demand	Reactive	KCNK3	42	34
O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@@H](O)COc1cccc(F)c1	ZINC000852445349	GD	On-Demand	Anodyne	PDS	69	45
O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@H](O)COc1cccc(F)c1	ZINC000852445350	GD	On-Demand	Anodyne	PDS	69	45
COC[C@H](NCc1cc(=O)oc2cc(OC)ccc12)c1cccc(OC)c1	ZINC000852445353	FG	On-Demand	Anodyne	CYP19A1	15	47
COC[C@H](NCc1cc(=O)oc2cc(OC)ccc12)c1cccc(OC)c1	ZINC000852445353	FG	On-Demand	Anodyne	CYP11B1	16	44
COC[C@H](NCc1cc(=O)oc2cc(OC)ccc12)c1cccc(OC)c1	ZINC000852445353	FG	On-Demand	Anodyne	MAOB	46	47
COC[C@@H](NCc1cc(=O)oc2cc(OC)ccc12)c1cccc(OC)c1	ZINC000852445354	FG	On-Demand	Anodyne	CYP19A1	15	47
COC[C@@H](NCc1cc(=O)oc2cc(OC)ccc12)c1cccc(OC)c1	ZINC000852445354	FG	On-Demand	Anodyne	CYP11B1	16	44
COC[C@@H](NCc1cc(=O)oc2cc(OC)ccc12)c1cccc(OC)c1	ZINC000852445354	FG	On-Demand	Anodyne	MAOB	46	47
COC[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852445355	GG	On-Demand	Anodyne	MAOA	70	46
COC[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852445355	GG	On-Demand	Anodyne	ACHE	15	47
COC[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852445355	GG	On-Demand	Anodyne	MAOB	57	49
COC[C@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852445355	GG	On-Demand	Anodyne	BCHE	15	40
COC[C@@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852445356	GG	On-Demand	Anodyne	MAOA	70	46
COC[C@@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852445356	GG	On-Demand	Anodyne	ACHE	15	47
COC[C@@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852445356	GG	On-Demand	Anodyne	MAOB	57	49
COC[C@@H](NCCOc1ccc2c(C)cc(=O)oc2c1)c1cccc(OC)c1	ZINC000852445356	GG	On-Demand	Anodyne	BCHE	15	40
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CC(=O)NCC#N)C1	ZINC000852445357	FD	On-Demand	Mild	PAPA1_CARPA	37	42
COC[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852445362	GG	On-Demand	Anodyne	DRD4	47	40
COC[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852445362	GG	On-Demand	Anodyne	KCNQ2	37	46
COC[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852445362	GG	On-Demand	Anodyne	MTNR1A	20	43
COC[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852445362	GG	On-Demand	Anodyne	MTNR1B	30	43
COC[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852445363	GG	On-Demand	Anodyne	DRD4	47	40
COC[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852445363	GG	On-Demand	Anodyne	KCNQ2	37	46
COC[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852445363	GG	On-Demand	Anodyne	MTNR1A	20	43
COC[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852445363	GG	On-Demand	Anodyne	MTNR1B	30	43
COC[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445384	GH	On-Demand	Anodyne	DRD4	46	39
COC[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445384	GH	On-Demand	Anodyne	KCNQ2	32	45
COC[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445384	GH	On-Demand	Anodyne	MTNR1A	19	42
COC[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445384	GH	On-Demand	Anodyne	MTNR1B	28	42
COC[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445384	GH	On-Demand	Anodyne	GALR2	41	37
COC[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445385	GH	On-Demand	Anodyne	DRD4	46	39
COC[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445385	GH	On-Demand	Anodyne	KCNQ2	32	45
COC[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445385	GH	On-Demand	Anodyne	MTNR1A	19	42
COC[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445385	GH	On-Demand	Anodyne	MTNR1B	28	42
COC[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(OC)c1	ZINC000852445385	GH	On-Demand	Anodyne	GALR2	41	37
COC[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445415	CE	On-Demand	Anodyne	DRD4	51	40
COC[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445415	CE	On-Demand	Anodyne	LTA4H	21	46
COC[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445415	CE	On-Demand	Anodyne	HRH3	24	51
COC[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445415	CE	On-Demand	Anodyne	SIGMAR1	22	45
COC[C@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445415	CE	On-Demand	Anodyne	EBP	45	40
COC[C@@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445416	CE	On-Demand	Anodyne	DRD4	51	40
COC[C@@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445416	CE	On-Demand	Anodyne	LTA4H	21	46
COC[C@@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445416	CE	On-Demand	Anodyne	HRH3	24	51
COC[C@@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445416	CE	On-Demand	Anodyne	SIGMAR1	22	45
COC[C@@H](NCCN1CCCC1)c1cccc(OC)c1	ZINC000852445416	CE	On-Demand	Anodyne	EBP	45	40
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCn2ccccc2=O)C1	ZINC000852445418	GG	On-Demand	Anodyne	ACE	15	41
COC[C@@H](NCc1cc(=O)oc2cc(O)ccc12)c1cccc(OC)c1	ZINC000852445423	FF	On-Demand	Anodyne	MAOB	31	42
COC[C@@H](NCc1cc(=O)oc2cc(O)ccc12)c1cccc(OC)c1	ZINC000852445423	FF	On-Demand	Anodyne	HSD17B3	39	48
COC[C@H](NCc1cc(=O)oc2cc(O)ccc12)c1cccc(OC)c1	ZINC000852445424	FF	On-Demand	Anodyne	MAOB	31	42
COC[C@H](NCc1cc(=O)oc2cc(O)ccc12)c1cccc(OC)c1	ZINC000852445424	FF	On-Demand	Anodyne	HSD17B3	39	48
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCN2CCCC2=O)C1	ZINC000852445427	FF	On-Demand	Anodyne	ACE	17	42
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCN2CCCC2=O)C1	ZINC000852445427	FF	On-Demand	Anodyne	CCKAR	17	41
COC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1	ZINC000852445449	EG	On-Demand	Bother	TAAR1	21	40
COC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1	ZINC000852445450	EG	On-Demand	Bother	TAAR1	21	40
COC[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852445451	FH	On-Demand	Anodyne	ADRB3	23	44
COC[C@@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852445451	FH	On-Demand	Anodyne	PDS	40	34
COC[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852445452	FH	On-Demand	Anodyne	ADRB3	23	44
COC[C@@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852445452	FH	On-Demand	Anodyne	PDS	40	34
COC[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852445453	FH	On-Demand	Anodyne	ADRB3	23	44
COC[C@H](NC[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852445453	FH	On-Demand	Anodyne	PDS	40	34
COC[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852445454	FH	On-Demand	Anodyne	ADRB3	23	44
COC[C@H](NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OC)c1	ZINC000852445454	FH	On-Demand	Anodyne	PDS	40	34
COC[C@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852445458	CD	On-Demand	Mild	DRD4	41	31
COC[C@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852445458	CD	On-Demand	Mild	MTNR1A	41	40
COC[C@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852445458	CD	On-Demand	Mild	MTNR1B	39	40
COC[C@@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852445459	CD	On-Demand	Mild	DRD4	41	31
COC[C@@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852445459	CD	On-Demand	Mild	MTNR1A	41	40
COC[C@@H](NCC(=O)NCCC#N)c1cccc(OC)c1	ZINC000852445459	CD	On-Demand	Mild	MTNR1B	39	40
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCN2C(=O)CNC2=O)C1	ZINC000852445512	GD	On-Demand	Anodyne	ACE	15	42
COC[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1cccc(OC)c1	ZINC000852445515	GH	On-Demand	Anodyne	MTNR1A	19	45
COC[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1cccc(OC)c1	ZINC000852445515	GH	On-Demand	Anodyne	MTNR1B	26	45
COC[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1cccc(OC)c1	ZINC000852445516	GH	On-Demand	Anodyne	MTNR1A	19	45
COC[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1cccc(OC)c1	ZINC000852445516	GH	On-Demand	Anodyne	MTNR1B	26	45
CCOC(=O)C1=C(CN[C@H](COC)c2cccc(OC)c2)NC(=O)N[C@H]1C	ZINC000852445539	GD	On-Demand	Anodyne	CACNA1C	56	38
CCOC(=O)C1=C(CN[C@H](COC)c2cccc(OC)c2)NC(=O)N[C@H]1C	ZINC000852445539	GD	On-Demand	Anodyne	CACNA1D	83	37
CCOC(=O)C1=C(CN[C@@H](COC)c2cccc(OC)c2)NC(=O)N[C@H]1C	ZINC000852445540	GD	On-Demand	Anodyne	CACNA1C	56	38
CCOC(=O)C1=C(CN[C@@H](COC)c2cccc(OC)c2)NC(=O)N[C@H]1C	ZINC000852445540	GD	On-Demand	Anodyne	CACNA1D	83	37
CCOC(=O)C1=C(CN[C@H](COC)c2cccc(OC)c2)NC(=O)N[C@@H]1C	ZINC000852445541	GD	On-Demand	Anodyne	CACNA1C	56	38
CCOC(=O)C1=C(CN[C@H](COC)c2cccc(OC)c2)NC(=O)N[C@@H]1C	ZINC000852445541	GD	On-Demand	Anodyne	CACNA1D	83	37
CCOC(=O)C1=C(CN[C@@H](COC)c2cccc(OC)c2)NC(=O)N[C@@H]1C	ZINC000852445542	GD	On-Demand	Anodyne	CACNA1C	56	38
CCOC(=O)C1=C(CN[C@@H](COC)c2cccc(OC)c2)NC(=O)N[C@@H]1C	ZINC000852445542	GD	On-Demand	Anodyne	CACNA1D	83	37
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852445545	GF	On-Demand	Anodyne	EPHX2	24	46
Cc1ccc(N2CCCN(C(=O)NCc3cnc(C(F)(F)F)nc3)CC2)cc1	ZINC000852445550	GG	On-Demand	Anodyne	CCR1	15	40
CCOC(=O)N1CCN(C(=O)CN[C@@H](COC)c2cccc(OC)c2)CC1	ZINC000852445568	GD	On-Demand	Anodyne	DRD4	41	32
CCOC(=O)N1CCN(C(=O)CN[C@@H](COC)c2cccc(OC)c2)CC1	ZINC000852445568	GD	On-Demand	Anodyne	P2RY12	76	41
CCOC(=O)N1CCN(C(=O)CN[C@@H](COC)c2cccc(OC)c2)CC1	ZINC000852445568	GD	On-Demand	Anodyne	MTNR1B	40	38
CCOC(=O)N1CCN(C(=O)CN[C@H](COC)c2cccc(OC)c2)CC1	ZINC000852445569	GD	On-Demand	Anodyne	DRD4	41	32
CCOC(=O)N1CCN(C(=O)CN[C@H](COC)c2cccc(OC)c2)CC1	ZINC000852445569	GD	On-Demand	Anodyne	P2RY12	76	41
CCOC(=O)N1CCN(C(=O)CN[C@H](COC)c2cccc(OC)c2)CC1	ZINC000852445569	GD	On-Demand	Anodyne	MTNR1B	40	38
COC[C@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(OC)c1	ZINC000852445572	FD	On-Demand	Reactive	DRD4	42	33
COC[C@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(OC)c1	ZINC000852445572	FD	On-Demand	Reactive	MTNR1A	28	40
COC[C@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(OC)c1	ZINC000852445572	FD	On-Demand	Reactive	MTNR1B	31	40
COC[C@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(OC)c1	ZINC000852445572	FD	On-Demand	Reactive	KCNK3	21	44
COC[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(OC)c1	ZINC000852445573	FD	On-Demand	Reactive	DRD4	42	33
COC[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(OC)c1	ZINC000852445573	FD	On-Demand	Reactive	MTNR1A	28	40
COC[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(OC)c1	ZINC000852445573	FD	On-Demand	Reactive	MTNR1B	31	40
COC[C@@H](NCC(=O)NNC(=O)c1ccccc1)c1cccc(OC)c1	ZINC000852445573	FD	On-Demand	Reactive	KCNK3	21	44
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852445574	GG	On-Demand	Anodyne	RBP4	45	32
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852445575	GG	On-Demand	Anodyne	RBP4	45	32
COC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445579	GE	On-Demand	Anodyne	DRD4	45	39
COC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445579	GE	On-Demand	Anodyne	CASR	42	47
COC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445579	GE	On-Demand	Anodyne	MTNR1A	18	41
COC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445579	GE	On-Demand	Anodyne	MTNR1B	26	41
COC[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445579	GE	On-Demand	Anodyne	STAT6	48	43
COC[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445580	GE	On-Demand	Anodyne	DRD4	45	39
COC[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445580	GE	On-Demand	Anodyne	CASR	42	47
COC[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445580	GE	On-Demand	Anodyne	MTNR1A	18	41
COC[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445580	GE	On-Demand	Anodyne	MTNR1B	26	41
COC[C@@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(OC)c1	ZINC000852445580	GE	On-Demand	Anodyne	STAT6	48	43
COC[C@@H](CCNC(=O)N1CCCCCCCC1)OC	ZINC000852445582	CE	On-Demand	Anodyne	DPP7	22	41
COC[C@H](NCC(=O)Nc1ccccc1C(N)=O)c1cccc(OC)c1	ZINC000852445592	FD	On-Demand	Anodyne	MTNR1B	26	41
COC[C@@H](NCC(=O)Nc1ccccc1C(N)=O)c1cccc(OC)c1	ZINC000852445594	FD	On-Demand	Anodyne	MTNR1B	26	41
COC[C@@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(OC)c1	ZINC000852445675	GE	On-Demand	Anodyne	MTNR1A	22	40
COC[C@@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(OC)c1	ZINC000852445675	GE	On-Demand	Anodyne	MTNR1B	25	43
COC[C@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(OC)c1	ZINC000852445676	GE	On-Demand	Anodyne	MTNR1A	22	40
COC[C@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1cccc(OC)c1	ZINC000852445676	GE	On-Demand	Anodyne	MTNR1B	25	43
COC[C@@H](CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12)OC	ZINC000852445723	FF	On-Demand	Anodyne	HTR1D	32	48
COC[C@@H](CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12)OC	ZINC000852445723	FF	On-Demand	Anodyne	MPO	60	37
COC[C@@H](CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12)OC	ZINC000852445723	FF	On-Demand	Anodyne	MTNR1A	18	57
COC[C@@H](CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12)OC	ZINC000852445723	FF	On-Demand	Anodyne	MAPT	16	47
COC[C@@H](CCNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)OC	ZINC000852445733	GC	On-Demand	Anodyne	EPHX2	15	42
COC[C@@H](CCNC(=O)N1CCOc2ccc(OC)cc2C1)OC	ZINC000852445739	ED	On-Demand	Anodyne	BMP1	48	36
COC[C@H](NCC(=O)Nc1ccc2nc(O)[nH]c2c1)c1cccc(OC)c1	ZINC000852445754	FE	On-Demand	Anodyne	ENPP1	72	36
COC[C@@H](NCC(=O)Nc1ccc2nc(O)[nH]c2c1)c1cccc(OC)c1	ZINC000852445755	FE	On-Demand	Anodyne	ENPP1	72	36
O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852445773	FF	On-Demand	Anodyne	ADRB1	29	44
O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852445773	FF	On-Demand	Anodyne	ADRB3	43	44
O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852445773	FF	On-Demand	Anodyne	PDS	40	39
O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852445774	FF	On-Demand	Anodyne	ADRB1	29	44
O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852445774	FF	On-Demand	Anodyne	ADRB3	43	44
O=C(NCc1cnc(C(F)(F)F)nc1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852445774	FF	On-Demand	Anodyne	PDS	40	39
COC[C@@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852445787	EF	On-Demand	Anodyne	MTNR1A	32	43
COC[C@@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852445787	EF	On-Demand	Anodyne	MTNR1B	36	43
COC[C@@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852445787	EF	On-Demand	Anodyne	CAPN2	50	38
COC[C@@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852445787	EF	On-Demand	Anodyne	PDS	55	40
COC[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852445788	EF	On-Demand	Anodyne	MTNR1A	32	43
COC[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852445788	EF	On-Demand	Anodyne	MTNR1B	36	43
COC[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852445788	EF	On-Demand	Anodyne	CAPN2	50	38
COC[C@H](NCC(=O)OCc1ccccc1)c1cccc(OC)c1	ZINC000852445788	EF	On-Demand	Anodyne	PDS	55	40
COC[C@@H](CCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)OC	ZINC000852445798	FE	On-Demand	Anodyne	ADRA1A	42	36
COC[C@@H](CCNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)OC	ZINC000852445800	FE	On-Demand	Anodyne	ADRA1A	42	36
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C[C@H](O)Cn2cccn2)C1	ZINC000852445814	GF	On-Demand	Anodyne	REN	27	41
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(C[C@@H](O)Cn2cccn2)C1	ZINC000852445816	GF	On-Demand	Anodyne	REN	27	41
COC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852445828	GG	On-Demand	Bother	TAAR1	28	54
COC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000852445840	GG	On-Demand	Bother	TAAR1	28	54
COC[C@@H](CCNC(=O)N1CCc2cc(Cl)nnc2C1)OC	ZINC000852445845	ED	On-Demand	Anodyne	MAPK1	45	37
COC[C@@H](NC[C@H](O)c1ccccc1F)c1cccc(OC)c1	ZINC000852445879	DF	On-Demand	Anodyne	ADRB2	18	41
N#Cc1ccc(CCNC(=O)NCCC(=O)OC2CCCCC2)cc1	ZINC000852445880	EF	On-Demand	Mild	CTSK	18	42
COC[C@@H](NC[C@@H](O)c1ccccc1F)c1cccc(OC)c1	ZINC000852445882	DF	On-Demand	Anodyne	ADRB2	18	41
COC[C@H](NC[C@H](O)c1ccccc1F)c1cccc(OC)c1	ZINC000852445884	DF	On-Demand	Anodyne	ADRB2	18	41
COC[C@H](NC[C@@H](O)c1ccccc1F)c1cccc(OC)c1	ZINC000852445886	DF	On-Demand	Anodyne	ADRB2	18	41
Cc1cccc2c1CCN(C(=O)NCc1cnc(C(F)(F)F)nc1)C2	ZINC000852445890	FG	On-Demand	Anodyne	P2RY14	43	32
N#Cc1ccc(CCNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1	ZINC000852445949	FG	On-Demand	Mild	GPBAR1	33	41
N#Cc1ccc(CCNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1	ZINC000852445956	FG	On-Demand	Mild	GPBAR1	33	41
CCOC(=O)N1CCC(NC(=O)CN[C@H](c2ccccc2F)C(C)C)CC1	ZINC000852445965	GF	On-Demand	Anodyne	CHRM1	15	47
CCOC(=O)N1CCC(NC(=O)CN[C@H](c2ccccc2F)C(C)C)CC1	ZINC000852445965	GF	On-Demand	Anodyne	CCR8	28	41
CCOC(=O)N1CCC(NC(=O)CN[C@@H](c2ccccc2F)C(C)C)CC1	ZINC000852445968	GF	On-Demand	Anodyne	CHRM1	15	47
CCOC(=O)N1CCC(NC(=O)CN[C@@H](c2ccccc2F)C(C)C)CC1	ZINC000852445968	GF	On-Demand	Anodyne	CCR8	28	41
N#Cc1ccc(CCNC(=O)N2CCO[C@@H](C(F)F)C2)cc1	ZINC000852445977	DD	On-Demand	Mild	GPBAR1	34	41
COc1ccccc1[C@@H](O)CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852445979	EE	On-Demand	Mild	ADRB1	43	33
COc1ccccc1[C@@H](O)CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852445979	EE	On-Demand	Mild	CTRB_BOVIN	48	37
N#Cc1ccc(CCNC(=O)N2CCO[C@H](C(F)F)C2)cc1	ZINC000852445980	DD	On-Demand	Mild	GPBAR1	34	41
CN(C[C@H]1CCCN1C(=O)NCCc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000852445988	GG	On-Demand	Mild	DPP4	17	41
CN(C[C@@H]1CCCN1C(=O)NCCc1ccc(C#N)cc1)C(=O)OC(C)(C)C	ZINC000852445994	GG	On-Demand	Mild	DPP4	17	41
Cn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852446005	EE	On-Demand	Mild	GPBAR1	36	46
Cn1ccnc1[C@@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852446006	EE	On-Demand	Mild	GPBAR1	36	46
N#Cc1ccc(CCNC(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc1	ZINC000852446015	FF	On-Demand	Mild	GPBAR1	28	40
N#Cc1ccc(CCNC(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc1	ZINC000852446016	FF	On-Demand	Mild	GPBAR1	28	40
CC(C)(C)OC(=O)N1CC(N(Cc2cccc(C(N)=O)c2)C2CCC2)C1	ZINC000852446025	FF	On-Demand	Anodyne	GPR119	24	41
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852446027	GF	On-Demand	Mild	DPP4	18	44
CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccc(C#N)cc1	ZINC000852446030	GI	On-Demand	Mild	MLYCD	23	40
CC[C@@H](C(=O)NNC(=O)NCCc1ccc(C#N)cc1)c1ccccc1	ZINC000852446040	FF	On-Demand	Reactive	CTRB_BOVIN	47	38
COC[C@H](NCC(=O)Nc1cccnc1Cl)c1cccc(OC)c1	ZINC000852446049	EF	On-Demand	Anodyne	G2YM83_BOTF4	63	32
COC[C@@H](NCC(=O)Nc1cccnc1Cl)c1cccc(OC)c1	ZINC000852446051	EF	On-Demand	Anodyne	G2YM83_BOTF4	63	32
CCNC(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446057	EE	On-Demand	Anodyne	ACE	16	48
CCNC(=O)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446059	EE	On-Demand	Anodyne	ACE	16	48
CC[C@@H](O)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446061	EG	On-Demand	Anodyne	ACE	15	42
CC[C@@H](O)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446063	EG	On-Demand	Anodyne	ACE	15	42
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CC(N)=O)C1	ZINC000852446070	DD	On-Demand	Anodyne	ACE	17	46
COC[C@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852446108	EG	On-Demand	Anodyne	MTNR1A	36	41
COC[C@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852446108	EG	On-Demand	Anodyne	MTNR1B	38	41
COC[C@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852446108	EG	On-Demand	Anodyne	FAAH	24	43
COC[C@@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852446109	EG	On-Demand	Anodyne	MTNR1A	36	41
COC[C@@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852446109	EG	On-Demand	Anodyne	MTNR1B	38	41
COC[C@@H](NCC(=O)NC1CCCCCCC1)c1cccc(OC)c1	ZINC000852446109	EG	On-Demand	Anodyne	FAAH	24	43
N#Cc1ccc(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1	ZINC000852446130	GF	On-Demand	Mild	GPBAR1	33	42
COC[C@@H](CCNC(=O)N[C@@H](C)COc1ccccc1)OC	ZINC000852446141	DD	On-Demand	Anodyne	PDS	65	39
COC[C@@H](CCNC(=O)N[C@H](C)COc1ccccc1)OC	ZINC000852446145	DD	On-Demand	Anodyne	PDS	65	39
CON(C)C(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446149	FE	On-Demand	Anodyne	ACE	15	44
CON(C)C(=O)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446151	FE	On-Demand	Anodyne	ACE	15	44
O=C(NCc1cnc(C(F)(F)F)nc1)NC1CCC(O)(c2ccccc2)CC1	ZINC000852446157	GG	On-Demand	Anodyne	CCR2	29	41
N#Cc1ccc(CCNC(=O)N2CCCCCCC2)cc1	ZINC000852446160	CG	On-Demand	Mild	DPP7	47	41
N#Cc1ccc(CCNC(=O)N2CCCCCCC2)cc1	ZINC000852446160	CG	On-Demand	Mild	GPBAR1	35	45
N#Cc1ccc(CCNC(=O)N2CCCCCCC2)cc1	ZINC000852446160	CG	On-Demand	Mild	KCNJ1	18	49
COC[C@@H](CCNC(=O)N1CCN(c2ccc(C)cc2)CC1)OC	ZINC000852446193	ED	On-Demand	Anodyne	DRD4	24	40
CCOC(=O)N1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852446194	EE	On-Demand	Mild	EPHX2	34	45
CCOC(=O)N1CCC(NC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852446194	EE	On-Demand	Mild	CCR8	21	44
N#Cc1ccc(CCNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1	ZINC000852446204	FI	On-Demand	Mild	GPBAR1	33	40
COc1ccc([C@@H](O)CNC(=O)NCCc2ccc(C#N)cc2)cc1	ZINC000852446210	EE	On-Demand	Mild	ADRB2	32	46
COc1ccc([C@@H](O)CNC(=O)NCCc2ccc(C#N)cc2)cc1	ZINC000852446210	EE	On-Demand	Mild	ADRB3	49	44
Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852446212	FD	On-Demand	Mild	GPBAR1	34	44
Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852446216	FD	On-Demand	Mild	GPBAR1	34	44
Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852446219	FD	On-Demand	Mild	GPBAR1	34	44
Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852446222	FD	On-Demand	Mild	GPBAR1	34	44
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCCN2CCCC2=O)C1	ZINC000852446226	GG	On-Demand	Anodyne	CCKAR	16	40
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCCN2CCCC2=O)C1	ZINC000852446226	GG	On-Demand	Anodyne	TYRO3	18	41
CNC(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446229	EE	On-Demand	Anodyne	ACE	16	45
CNC(=O)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446230	EE	On-Demand	Anodyne	ACE	16	45
COC(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446238	EF	On-Demand	Anodyne	ACE	16	46
COC(=O)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446242	EF	On-Demand	Anodyne	ACE	16	46
C[C@@H]1CCOCCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852446243	CD	On-Demand	Mild	GPBAR1	32	41
C[C@H]1CCOCCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852446246	CD	On-Demand	Mild	GPBAR1	32	41
CC(C)(C)OC(=O)N1CC(N(CC(=O)NCc2cccnc2)C2CCC2)C1	ZINC000852446262	FE	On-Demand	Anodyne	SCD	17	40
CC(C)(C)OC(=O)N1CC(N(CC(=O)NCc2cccnc2)C2CCC2)C1	ZINC000852446262	FE	On-Demand	Anodyne	NAMPT	60	38
COc1ccc(N2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852446304	GG	On-Demand	Mild	CTSK	29	45
COc1ccc(N2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852446304	GG	On-Demand	Mild	CTSL	19	45
COc1ccc(N2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852446304	GG	On-Demand	Mild	EPHX2	15	42
COc1ccc(N2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852446304	GG	On-Demand	Mild	MCHR1	18	49
COc1ccc(N2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852446304	GG	On-Demand	Mild	GPBAR1	37	42
N#Cc1ccc(CCNC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1	ZINC000852446310	FH	On-Demand	Mild	ADRA1A	47	36
N#Cc1ccc(CCNC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1	ZINC000852446310	FH	On-Demand	Mild	DPP4	20	41
N#Cc1ccc(CCNC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1	ZINC000852446310	FH	On-Demand	Mild	GPBAR1	35	43
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1	ZINC000852446313	FH	On-Demand	Mild	ADRA1A	47	36
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1	ZINC000852446313	FH	On-Demand	Mild	DPP4	20	41
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1	ZINC000852446313	FH	On-Demand	Mild	GPBAR1	35	43
COC[C@@H](CCNC(=O)NC[C@@](C)(O)c1cccc(Cl)c1)OC	ZINC000852446314	ED	On-Demand	Anodyne	PDS	44	34
COC[C@@H](CCNC(=O)NC[C@](C)(O)c1cccc(Cl)c1)OC	ZINC000852446320	ED	On-Demand	Anodyne	PDS	44	34
N#Cc1ccc(CCNC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000852446321	FE	On-Demand	Mild	GPBAR1	35	44
N#Cc1ccc(CCNC(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000852446322	FE	On-Demand	Mild	GPBAR1	35	44
COc1cccc([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446324	EE	On-Demand	Mild	ADRB2	41	42
COc1cccc([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446324	EE	On-Demand	Mild	ADRB1	57	41
COc1cccc([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446324	EE	On-Demand	Mild	ADRB3	78	41
COc1cccc([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446324	EE	On-Demand	Mild	PTGER3	15	41
COc1cccc([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446324	EE	On-Demand	Mild	MTNR1A	56	41
COc1cccc([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446324	EE	On-Demand	Mild	MTNR1B	52	41
N#Cc1ccc(CCNC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1	ZINC000852446331	GE	On-Demand	Mild	GPBAR1	37	45
CCOC(=O)N1CCC(NC(=O)CN[C@H](COC)c2cccc(OC)c2)CC1	ZINC000852446354	GD	On-Demand	Anodyne	MTNR1A	22	45
CCOC(=O)N1CCC(NC(=O)CN[C@H](COC)c2cccc(OC)c2)CC1	ZINC000852446354	GD	On-Demand	Anodyne	MTNR1B	30	45
CCOC(=O)N1CCC(NC(=O)CN[C@H](COC)c2cccc(OC)c2)CC1	ZINC000852446354	GD	On-Demand	Anodyne	EPHX2	15	40
CCOC(=O)N1CCC(NC(=O)CN[C@@H](COC)c2cccc(OC)c2)CC1	ZINC000852446355	GD	On-Demand	Anodyne	MTNR1A	22	45
CCOC(=O)N1CCC(NC(=O)CN[C@@H](COC)c2cccc(OC)c2)CC1	ZINC000852446355	GD	On-Demand	Anodyne	MTNR1B	30	45
CCOC(=O)N1CCC(NC(=O)CN[C@@H](COC)c2cccc(OC)c2)CC1	ZINC000852446355	GD	On-Demand	Anodyne	EPHX2	15	40
COC[C@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(OC)c1	ZINC000852446374	EE	On-Demand	Anodyne	ADRB1	15	46
COC[C@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(OC)c1	ZINC000852446374	EE	On-Demand	Anodyne	ADRB3	15	46
COC[C@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(OC)c1	ZINC000852446374	EE	On-Demand	Anodyne	MTNR1A	30	48
COC[C@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(OC)c1	ZINC000852446374	EE	On-Demand	Anodyne	MTNR1B	35	48
COC[C@@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(OC)c1	ZINC000852446375	EE	On-Demand	Anodyne	ADRB1	15	46
COC[C@@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(OC)c1	ZINC000852446375	EE	On-Demand	Anodyne	ADRB3	15	46
COC[C@@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(OC)c1	ZINC000852446375	EE	On-Demand	Anodyne	MTNR1A	30	48
COC[C@@H](NCC(=O)Nc1ccc(O)cc1)c1cccc(OC)c1	ZINC000852446375	EE	On-Demand	Anodyne	MTNR1B	35	48
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CC(=O)N2CCCC2)C1	ZINC000852446376	FF	On-Demand	Anodyne	ACE	19	47
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CC(=O)N2CCCC2)C1	ZINC000852446376	FF	On-Demand	Anodyne	PREP	33	42
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCCN(c2ncccc2F)CC1	ZINC000852446378	GE	On-Demand	Anodyne	TRPV1	20	44
COC[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OC)c1	ZINC000852446386	GG	On-Demand	Bother	TAAR1	26	41
COC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(OC)c1	ZINC000852446387	GG	On-Demand	Bother	TAAR1	26	41
COC[C@@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446393	DD	On-Demand	Anodyne	ADRB2	16	41
COC[C@@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446393	DD	On-Demand	Anodyne	DRD4	41	31
COC[C@@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446393	DD	On-Demand	Anodyne	ABCB1	31	42
COC[C@@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446394	DD	On-Demand	Anodyne	ADRB2	16	41
COC[C@@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446394	DD	On-Demand	Anodyne	DRD4	41	31
COC[C@@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446394	DD	On-Demand	Anodyne	ABCB1	31	42
COC[C@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446395	DD	On-Demand	Anodyne	ADRB2	16	41
COC[C@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446395	DD	On-Demand	Anodyne	DRD4	41	31
COC[C@H](NC[C@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446395	DD	On-Demand	Anodyne	ABCB1	31	42
COC[C@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446396	DD	On-Demand	Anodyne	ADRB2	16	41
COC[C@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446396	DD	On-Demand	Anodyne	DRD4	41	31
COC[C@H](NC[C@@H](O)CN1CCCC1)c1cccc(OC)c1	ZINC000852446396	DD	On-Demand	Anodyne	ABCB1	31	42
COC[C@H](NCc1cc(=O)oc2cc(C)ccc12)c1cccc(OC)c1	ZINC000852446399	FH	On-Demand	Anodyne	MAOB	31	40
COC[C@@H](NCc1cc(=O)oc2cc(C)ccc12)c1cccc(OC)c1	ZINC000852446400	FH	On-Demand	Anodyne	MAOB	31	40
COC[C@@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446403	GE	On-Demand	Anodyne	ADRB2	26	43
COC[C@@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446403	GE	On-Demand	Anodyne	ADRB1	20	41
COC[C@@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446403	GE	On-Demand	Anodyne	ADRB3	50	52
COC[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446404	GE	On-Demand	Anodyne	ADRB2	26	43
COC[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446404	GE	On-Demand	Anodyne	ADRB1	20	41
COC[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446404	GE	On-Demand	Anodyne	ADRB3	50	52
COC[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446405	GE	On-Demand	Anodyne	ADRB2	26	43
COC[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446405	GE	On-Demand	Anodyne	ADRB1	20	41
COC[C@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446405	GE	On-Demand	Anodyne	ADRB3	50	52
COC[C@@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446406	GE	On-Demand	Anodyne	ADRB2	26	43
COC[C@@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446406	GE	On-Demand	Anodyne	ADRB1	20	41
COC[C@@H](NC[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc(OC)c1	ZINC000852446406	GE	On-Demand	Anodyne	ADRB3	50	52
COC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852446418	FE	On-Demand	Clean	PDS	43	39
COC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cccc(OC)c1	ZINC000852446419	FE	On-Demand	Clean	PDS	43	39
COC[C@@H](NC/C=C(\C)C(=O)OC)c1cccc(OC)c1	ZINC000852446422	CE	On-Demand	Anodyne	MTNR1A	35	41
COC[C@@H](NC/C=C(\C)C(=O)OC)c1cccc(OC)c1	ZINC000852446422	CE	On-Demand	Anodyne	MTNR1B	39	41
COC[C@H](NC/C=C(\C)C(=O)OC)c1cccc(OC)c1	ZINC000852446423	CE	On-Demand	Anodyne	MTNR1A	35	41
COC[C@H](NC/C=C(\C)C(=O)OC)c1cccc(OC)c1	ZINC000852446423	CE	On-Demand	Anodyne	MTNR1B	39	41
COC[C@@H](NC/C=C(/C)C(=O)OC)c1cccc(OC)c1	ZINC000852446424	CE	On-Demand	Anodyne	MTNR1A	35	41
COC[C@@H](NC/C=C(/C)C(=O)OC)c1cccc(OC)c1	ZINC000852446424	CE	On-Demand	Anodyne	MTNR1B	39	41
COC[C@H](NC/C=C(/C)C(=O)OC)c1cccc(OC)c1	ZINC000852446425	CE	On-Demand	Anodyne	MTNR1A	35	41
COC[C@H](NC/C=C(/C)C(=O)OC)c1cccc(OC)c1	ZINC000852446425	CE	On-Demand	Anodyne	MTNR1B	39	41
CCc1ccc(N2CCN(C(=O)NCc3cnc(C(F)(F)F)nc3)CC2)cc1	ZINC000852446444	GG	On-Demand	Anodyne	P2RY12	18	45
CCc1ccc(N2CCN(C(=O)NCc3cnc(C(F)(F)F)nc3)CC2)cc1	ZINC000852446444	GG	On-Demand	Anodyne	PLA2G7	15	41
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852446458	GG	On-Demand	Anodyne	RBP4	47	33
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852446461	GG	On-Demand	Anodyne	RBP4	47	33
C#CCNC(=O)C1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852446466	ED	On-Demand	Mild	GPBAR1	36	47
N#Cc1ccc(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000852446477	DD	On-Demand	Mild	DPP4	21	44
N#Cc1ccc(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1	ZINC000852446477	DD	On-Demand	Mild	GPBAR1	34	41
N#Cc1ccc(CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000852446479	DD	On-Demand	Mild	DPP4	21	44
N#Cc1ccc(CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1	ZINC000852446479	DD	On-Demand	Mild	GPBAR1	34	41
N#Cc1ccc(CCNC(=O)N2CCC3(CCCC3)C2)cc1	ZINC000852446481	CG	On-Demand	Mild	EPHX2	18	47
N#Cc1ccc(CCNC(=O)N2CCC3(CCCC3)CC2)cc1	ZINC000852446514	DG	On-Demand	Mild	GPBAR1	29	40
CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852446517	GG	On-Demand	Mild	GPR119	17	41
N#Cc1ccc(CCNC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1	ZINC000852446519	FE	On-Demand	Mild	GPBAR1	31	40
N#Cc1ccc(CCNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1	ZINC000852446521	FE	On-Demand	Mild	GPBAR1	31	40
N#Cc1ccc(CCNC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1	ZINC000852446567	GH	On-Demand	Mild	CCR1	15	40
N#Cc1ccc(CCNC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1	ZINC000852446569	GH	On-Demand	Mild	CCR1	15	40
N#Cc1ccc(CCNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cc1	ZINC000852446575	GH	On-Demand	Mild	CHRNA4	15	42
N#Cc1ccc(CCNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cc1	ZINC000852446575	GH	On-Demand	Mild	MLNR	16	40
N#Cc1ccc(CCNC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1	ZINC000852446586	GG	On-Demand	Mild	CCR3	17	42
N#Cc1ccc(CCNC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1	ZINC000852446586	GG	On-Demand	Mild	GPBAR1	33	41
N#Cc1ccc(CCNC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1	ZINC000852446587	GG	On-Demand	Mild	CCR3	17	42
N#Cc1ccc(CCNC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1	ZINC000852446587	GG	On-Demand	Mild	GPBAR1	33	41
N#Cc1ccc(CCNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)cc1	ZINC000852446594	FF	On-Demand	Mild	GPBAR1	39	49
N#Cc1ccc(CCNC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1	ZINC000852446611	GG	On-Demand	Mild	ADRB3	30	45
N#Cc1ccc(CCNC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1	ZINC000852446612	GG	On-Demand	Mild	ADRB3	30	45
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852446617	GG	On-Demand	Mild	CACNA1I	46	36
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852446617	GG	On-Demand	Mild	GPBAR1	34	42
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852446617	GG	On-Demand	Mild	GPR119	25	41
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852446620	FF	On-Demand	Clean	THRA	45	34
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852446620	FF	On-Demand	Clean	THRB	41	34
COc1ccc(O)c([C@H](C)NC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852446621	FF	On-Demand	Clean	THRA	45	34
COc1ccc(O)c([C@H](C)NC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852446621	FF	On-Demand	Clean	THRB	41	34
COC[C@H](NCC(=O)NCc1ccccn1)c1cccc(OC)c1	ZINC000852446631	ED	On-Demand	Anodyne	MTNR1A	30	40
COC[C@H](NCC(=O)NCc1ccccn1)c1cccc(OC)c1	ZINC000852446631	ED	On-Demand	Anodyne	MTNR1B	30	41
COC[C@@H](NCC(=O)NCc1ccccn1)c1cccc(OC)c1	ZINC000852446632	ED	On-Demand	Anodyne	MTNR1A	30	40
COC[C@@H](NCC(=O)NCc1ccccn1)c1cccc(OC)c1	ZINC000852446632	ED	On-Demand	Anodyne	MTNR1B	30	41
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@@H](c2ccccn2)C1	ZINC000852446639	FF	On-Demand	Anodyne	EPHX2	16	47
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@@H](c2ccccn2)C1	ZINC000852446639	FF	On-Demand	Anodyne	RBP4	57	37
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@H](c2ccccn2)C1	ZINC000852446640	FF	On-Demand	Anodyne	EPHX2	16	47
O=C(NCc1cnc(C(F)(F)F)nc1)N1CC[C@H](c2ccccn2)C1	ZINC000852446640	FF	On-Demand	Anodyne	RBP4	57	37
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852446653	GG	On-Demand	Mild	CTRB_BOVIN	55	36
C[C@@H](O)CCCN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446660	EG	On-Demand	Anodyne	ACE	17	43
C[C@@H](O)CCCN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852446662	EG	On-Demand	Anodyne	ACE	17	43
C#CCN1CCN(C(=O)CN[C@H](COC)c2cccc(OC)c2)CC1	ZINC000852446663	EC	On-Demand	Mild	DRD4	44	34
C#CCN1CCN(C(=O)CN[C@@H](COC)c2cccc(OC)c2)CC1	ZINC000852446664	EC	On-Demand	Mild	DRD4	44	34
CC(C)(C)OC(=O)N1CC(N(Cc2nc(-c3ccccn3)no2)C2CCC2)C1	ZINC000852446693	GG	On-Demand	Anodyne	GPR119	20	40
COC[C@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(OC)c1	ZINC000852446704	FH	On-Demand	Anodyne	MTNR1A	21	41
COC[C@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(OC)c1	ZINC000852446704	FH	On-Demand	Anodyne	MTNR1B	26	41
CC(C)(C)OC(=O)N1CC(N(CCc2ccncc2)C2CCC2)C1	ZINC000852446709	EG	On-Demand	Anodyne	GPR119	40	43
CC(C)(C)OC(=O)N1CC(N(Cc2ccccn2)C2CCC2)C1	ZINC000852446715	DG	On-Demand	Anodyne	GPR119	43	47
COC[C@@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(OC)c1	ZINC000852446720	FH	On-Demand	Anodyne	MTNR1A	21	41
COC[C@@H](NCc1cccc(SC(=O)N(C)C)c1)c1cccc(OC)c1	ZINC000852446720	FH	On-Demand	Anodyne	MTNR1B	26	41
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446759	EF	On-Demand	Mild	THRA	45	36
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446759	EF	On-Demand	Mild	THRB	56	39
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446759	EF	On-Demand	Mild	MTNR1A	57	40
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446759	EF	On-Demand	Mild	MTNR1B	47	40
COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446767	EF	On-Demand	Mild	THRA	45	36
COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446767	EF	On-Demand	Mild	THRB	56	39
COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446767	EF	On-Demand	Mild	MTNR1A	57	40
COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852446767	EF	On-Demand	Mild	MTNR1B	47	40
N#Cc1ccc(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1	ZINC000852446768	GF	On-Demand	Mild	ACE	28	40
N#Cc1ccc(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1	ZINC000852446768	GF	On-Demand	Mild	MME	17	40
N#Cc1ccc(CCNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1	ZINC000852446768	GF	On-Demand	Mild	GPBAR1	30	40
N#Cc1ccc(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1	ZINC000852446771	GF	On-Demand	Mild	ACE	28	40
N#Cc1ccc(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1	ZINC000852446771	GF	On-Demand	Mild	MME	17	40
N#Cc1ccc(CCNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1	ZINC000852446771	GF	On-Demand	Mild	GPBAR1	30	40
COC[C@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852446774	GD	On-Demand	Reactive	TAAR1	28	40
COC[C@@H](NCC(=O)NNC(=O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852446775	GD	On-Demand	Reactive	TAAR1	28	40
N#Cc1ccc(CCNC(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1	ZINC000852446792	FH	On-Demand	Mild	GPBAR1	37	44
N#Cc1ccc(CCNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1	ZINC000852446793	FH	On-Demand	Mild	GPBAR1	37	44
Cc1cccc2c1CCN(C(=O)NCCc1ccc(C#N)cc1)C2	ZINC000852446800	DG	On-Demand	Mild	P2RY14	32	41
Cc1cccc2c1CCN(C(=O)NCCc1ccc(C#N)cc1)C2	ZINC000852446800	DG	On-Demand	Mild	GPBAR1	29	40
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852446857	GH	On-Demand	Anodyne	CCR2	34	43
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852446857	GH	On-Demand	Anodyne	EPHX2	30	45
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852446857	GH	On-Demand	Anodyne	RBP4	58	39
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852446857	GH	On-Demand	Anodyne	SFRP1	68	32
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852446857	GH	On-Demand	Anodyne	WNT3	63	32
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852446858	GH	On-Demand	Anodyne	CCR2	34	43
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852446858	GH	On-Demand	Anodyne	EPHX2	30	45
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852446858	GH	On-Demand	Anodyne	RBP4	58	39
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852446858	GH	On-Demand	Anodyne	SFRP1	68	32
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852446858	GH	On-Demand	Anodyne	WNT3	63	32
C#CCNC(=O)CN[C@@H](COC)c1cccc(OC)c1	ZINC000852446861	CC	On-Demand	Mild	MTNR1B	36	45
C#CCNC(=O)CN[C@H](COC)c1cccc(OC)c1	ZINC000852446862	CC	On-Demand	Mild	MTNR1B	36	45
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCN2C(=O)CCC2=O)C1	ZINC000852446863	GE	On-Demand	Anodyne	ACE	17	44
COC[C@@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1cccc(OC)c1	ZINC000852446871	GD	On-Demand	Anodyne	C5AR1	15	43
COC[C@H](NCC(=O)NC1CCC2(CC1)OCCO2)c1cccc(OC)c1	ZINC000852446872	GD	On-Demand	Anodyne	C5AR1	15	43
O=C(NCc1cnc(C(F)(F)F)nc1)NCc1cccc(N2CCOC2=O)c1	ZINC000852446878	GE	On-Demand	Anodyne	CARM1	54	35
COC[C@H](NCC(=O)Nc1ccccc1C(=O)NC(C)C)c1cccc(OC)c1	ZINC000852446885	GF	On-Demand	Anodyne	PTGER3	42	41
COC[C@@H](NCC(=O)Nc1ccccc1C(=O)NC(C)C)c1cccc(OC)c1	ZINC000852446886	GF	On-Demand	Anodyne	PTGER3	42	41
COC[C@@H](NC[C@H](O)c1ccc(Br)cc1)c1cccc(OC)c1	ZINC000852446892	GG	On-Demand	Anodyne	ADRB2	18	49
COC[C@@H](NC[C@H](O)c1ccc(Br)cc1)c1cccc(OC)c1	ZINC000852446892	GG	On-Demand	Anodyne	ADRB3	21	46
COC[C@@H](NC[C@@H](O)c1ccc(Br)cc1)c1cccc(OC)c1	ZINC000852446893	GG	On-Demand	Anodyne	ADRB2	18	49
COC[C@@H](NC[C@@H](O)c1ccc(Br)cc1)c1cccc(OC)c1	ZINC000852446893	GG	On-Demand	Anodyne	ADRB3	21	46
COC[C@H](NC[C@H](O)c1ccc(Br)cc1)c1cccc(OC)c1	ZINC000852446894	GG	On-Demand	Anodyne	ADRB2	18	49
COC[C@H](NC[C@H](O)c1ccc(Br)cc1)c1cccc(OC)c1	ZINC000852446894	GG	On-Demand	Anodyne	ADRB3	21	46
COC[C@H](NC[C@@H](O)c1ccc(Br)cc1)c1cccc(OC)c1	ZINC000852446895	GG	On-Demand	Anodyne	ADRB2	18	49
COC[C@H](NC[C@@H](O)c1ccc(Br)cc1)c1cccc(OC)c1	ZINC000852446895	GG	On-Demand	Anodyne	ADRB3	21	46
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CC(=O)N2CCC2)C1	ZINC000852446897	FF	On-Demand	Anodyne	ACE	18	47
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CC(=O)N2CCC2)C1	ZINC000852446897	FF	On-Demand	Anodyne	PREP	25	40
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852446927	FF	On-Demand	Mild	DPP4	28	41
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852446927	FF	On-Demand	Mild	GPBAR1	33	41
CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852446928	FF	On-Demand	Mild	DPP4	28	41
CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852446928	FF	On-Demand	Mild	GPBAR1	33	41
CC(=O)c1ccc(OC[C@H](O)CN[C@@H](c2ccccc2F)C(C)C)cc1	ZINC000852446931	FH	On-Demand	Anodyne	ADRB2	38	48
CC(=O)c1ccc(OC[C@H](O)CN[C@@H](c2ccccc2F)C(C)C)cc1	ZINC000852446931	FH	On-Demand	Anodyne	ADRB1	57	40
CC(=O)c1ccc(OC[C@H](O)CN[C@@H](c2ccccc2F)C(C)C)cc1	ZINC000852446931	FH	On-Demand	Anodyne	ADRB3	24	40
CC(=O)c1ccc(OC[C@H](O)CN[C@@H](c2ccccc2F)C(C)C)cc1	ZINC000852446931	FH	On-Demand	Anodyne	ABCB1	17	52
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](c2ccccc2F)C(C)C)cc1	ZINC000852446932	FH	On-Demand	Anodyne	ADRB2	38	48
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](c2ccccc2F)C(C)C)cc1	ZINC000852446932	FH	On-Demand	Anodyne	ADRB1	57	40
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](c2ccccc2F)C(C)C)cc1	ZINC000852446932	FH	On-Demand	Anodyne	ADRB3	24	40
CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](c2ccccc2F)C(C)C)cc1	ZINC000852446932	FH	On-Demand	Anodyne	ABCB1	17	52
CC(=O)c1ccc(OC[C@H](O)CN[C@H](c2ccccc2F)C(C)C)cc1	ZINC000852446933	FH	On-Demand	Anodyne	ADRB2	38	48
CC(=O)c1ccc(OC[C@H](O)CN[C@H](c2ccccc2F)C(C)C)cc1	ZINC000852446933	FH	On-Demand	Anodyne	ADRB1	57	40
CC(=O)c1ccc(OC[C@H](O)CN[C@H](c2ccccc2F)C(C)C)cc1	ZINC000852446933	FH	On-Demand	Anodyne	ADRB3	24	40
CC(=O)c1ccc(OC[C@H](O)CN[C@H](c2ccccc2F)C(C)C)cc1	ZINC000852446933	FH	On-Demand	Anodyne	ABCB1	17	52
CC(=O)c1ccc(OC[C@@H](O)CN[C@H](c2ccccc2F)C(C)C)cc1	ZINC000852446934	FH	On-Demand	Anodyne	ADRB2	38	48
CC(=O)c1ccc(OC[C@@H](O)CN[C@H](c2ccccc2F)C(C)C)cc1	ZINC000852446934	FH	On-Demand	Anodyne	ADRB1	57	40
CC(=O)c1ccc(OC[C@@H](O)CN[C@H](c2ccccc2F)C(C)C)cc1	ZINC000852446934	FH	On-Demand	Anodyne	ADRB3	24	40
CC(=O)c1ccc(OC[C@@H](O)CN[C@H](c2ccccc2F)C(C)C)cc1	ZINC000852446934	FH	On-Demand	Anodyne	ABCB1	17	52
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)NCCc1ccc(C#N)cc1)C2	ZINC000852446935	GG	On-Demand	Mild	GPBAR1	31	41
CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)NCCc1ccc(C#N)cc1)C2	ZINC000852446935	GG	On-Demand	Mild	GPR119	20	41
CC(C)(C)OC(=O)N1CC(N(CCc2ccccn2)C2CCC2)C1	ZINC000852446942	EG	On-Demand	Anodyne	GPR119	36	46
N#Cc1ccc(CCNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000852446945	GD	On-Demand	Mild	KCNJ1	15	44
N#Cc1ccc(CCNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000852446946	GD	On-Demand	Mild	KCNJ1	15	44
N#Cc1ccc(CCNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000852446947	GD	On-Demand	Mild	KCNJ1	15	44
N#Cc1ccc(CCNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000852446948	GD	On-Demand	Mild	KCNJ1	15	44
N#Cc1ccc(CCNC(=O)N2CCCN(c3ncccc3F)CC2)cc1	ZINC000852446949	FF	On-Demand	Mild	CXCR3	17	40
N#Cc1ccc(CCNC(=O)N2CCCN(c3ncccc3F)CC2)cc1	ZINC000852446949	FF	On-Demand	Mild	GPBAR1	34	48
N#Cc1ccc(CCNC(=O)N2CC[C@H](c3ccccn3)C2)cc1	ZINC000852446979	DF	On-Demand	Mild	GPBAR1	36	43
N#Cc1ccc(CCNC(=O)N2CC[C@@H](c3ccccn3)C2)cc1	ZINC000852446980	DF	On-Demand	Mild	GPBAR1	36	43
N#Cc1ccc(CCNC(=O)N2CCc3c(F)cccc3C2)cc1	ZINC000852446981	DG	On-Demand	Mild	GPBAR1	30	40
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1	ZINC000852446985	GD	On-Demand	Mild	CTSK	21	42
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1	ZINC000852446985	GD	On-Demand	Mild	EPHX2	15	49
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1	ZINC000852446985	GD	On-Demand	Mild	GPBAR1	33	44
Cc1ccccc1[C@H](O)CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852446986	DE	On-Demand	Mild	CTRB_BOVIN	48	37
Cc1ccccc1[C@@H](O)CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852446987	DE	On-Demand	Mild	CTRB_BOVIN	48	37
Cc1cccc2c1OCC[C@@H]2NC(=O)NCCc1ccc(C#N)cc1	ZINC000852447020	EG	On-Demand	Mild	LUXR	51	33
CCOC(=O)N1CCN(C(=O)CN[C@@H](c2ccccc2F)C(C)C)CC1	ZINC000852447023	FE	On-Demand	Anodyne	P2RY12	58	43
CCOC(=O)N1CCN(C(=O)CN[C@H](c2ccccc2F)C(C)C)CC1	ZINC000852447024	FE	On-Demand	Anodyne	P2RY12	58	43
N#Cc1ccc(CCNC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1	ZINC000852447040	FD	On-Demand	Mild	CTRB_BOVIN	46	36
N#Cc1ccc(CCNC(=O)N[C@H](CO)C[C@H](O)c2ccccc2)cc1	ZINC000852447041	FD	On-Demand	Mild	CTRB_BOVIN	46	36
N#Cc1ccc(CCNC(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)cc1	ZINC000852447042	FD	On-Demand	Mild	CTRB_BOVIN	46	36
N#Cc1ccc(CCNC(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)cc1	ZINC000852447043	FD	On-Demand	Mild	CTRB_BOVIN	46	36
CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)NCCc3ccc(C#N)cc3)C[C@@H]2C1	ZINC000852447044	GF	On-Demand	Mild	GPBAR1	30	40
CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)NCCc3ccc(C#N)cc3)C[C@@H]2C1	ZINC000852447044	GF	On-Demand	Mild	GPR119	28	46
COC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447057	FG	On-Demand	Anodyne	DRD4	43	33
COC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447057	FG	On-Demand	Anodyne	HRH3	22	41
COC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447057	FG	On-Demand	Anodyne	DPP7	28	43
COC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447057	FG	On-Demand	Anodyne	L3MBTL3	42	33
COC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447057	FG	On-Demand	Anodyne	HPGD	23	43
COC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447058	FG	On-Demand	Anodyne	DRD4	43	33
COC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447058	FG	On-Demand	Anodyne	HRH3	22	41
COC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447058	FG	On-Demand	Anodyne	DPP7	28	43
COC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447058	FG	On-Demand	Anodyne	L3MBTL3	42	33
COC[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(OC)c1	ZINC000852447058	FG	On-Demand	Anodyne	HPGD	23	43
COC[C@@H](CCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1)OC	ZINC000852447078	FE	On-Demand	Anodyne	ADRB1	15	45
COC[C@@H](CCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1)OC	ZINC000852447080	FE	On-Demand	Anodyne	ADRB1	15	45
N#Cc1ccc(CCNC(=O)N2CCC(F)(F)CC2)cc1	ZINC000852447082	CF	On-Demand	Mild	GPBAR1	32	41
N#Cc1ccc(CCNC(=O)N2CCC(F)(F)CC2)cc1	ZINC000852447082	CF	On-Demand	Mild	KCNJ1	15	44
COC[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1cccc(OC)c1	ZINC000852447085	FH	On-Demand	Anodyne	MTNR1A	21	40
COC[C@H](NCc1ccc(SC(=O)N(C)C)cc1)c1cccc(OC)c1	ZINC000852447085	FH	On-Demand	Anodyne	MTNR1B	25	40
COC[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1cccc(OC)c1	ZINC000852447087	FH	On-Demand	Anodyne	MTNR1A	21	40
COC[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)c1cccc(OC)c1	ZINC000852447087	FH	On-Demand	Anodyne	MTNR1B	25	40
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852447093	GG	On-Demand	Mild	GPBAR1	34	43
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852447093	GG	On-Demand	Mild	GPR119	30	45
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852447095	GG	On-Demand	Mild	GPBAR1	34	43
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852447095	GG	On-Demand	Mild	GPR119	30	45
CC[C@@H](C(=O)NNC(=O)NCc1cnc(C(F)(F)F)nc1)c1ccccc1	ZINC000852447102	GF	On-Demand	Reactive	PDS	56	35
CCOC(=O)N(C)C1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447107	FE	On-Demand	Mild	GPBAR1	35	42
Cn1nccc1[C@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852447111	EE	On-Demand	Mild	GPBAR1	35	46
Cn1nccc1[C@@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852447112	EE	On-Demand	Mild	GPBAR1	35	46
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCc2c(F)cccc2C1	ZINC000852447118	FF	On-Demand	Anodyne	MAPK1	30	42
N#Cc1ccc(CCNC(=O)N2CCC(C#N)CC2)cc1	ZINC000852447126	CE	On-Demand	Mild	GPBAR1	34	43
N#Cc1ccc(CCNC(=O)N2CCC(C#N)CC2)cc1	ZINC000852447126	CE	On-Demand	Mild	KCNJ1	15	44
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC(CCc2ccccc2)CC1	ZINC000852447137	GI	On-Demand	Anodyne	GRIN2B	50	41
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC(CCc2ccccc2)CC1	ZINC000852447137	GI	On-Demand	Anodyne	EPHX2	27	41
O=C(NCc1cnc(C(F)(F)F)nc1)N1CCC(CCc2ccccc2)CC1	ZINC000852447137	GI	On-Demand	Anodyne	RBP4	50	34
COC[C@H](NCCN1CCOC1=O)c1cccc(OC)c1	ZINC000852447138	CD	On-Demand	Anodyne	DRD4	40	31
COC[C@@H](NCCN1CCOC1=O)c1cccc(OC)c1	ZINC000852447139	CD	On-Demand	Anodyne	DRD4	40	31
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CC(=O)N2CCNC2=O)C1	ZINC000852447147	GD	On-Demand	Anodyne	CCKAR	16	41
N#Cc1ccc(CCNC(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1	ZINC000852447153	ED	On-Demand	Mild	GPBAR1	33	41
N#Cc1ccc(CCNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1	ZINC000852447155	ED	On-Demand	Mild	GPBAR1	33	41
N#Cc1ccc(CCNC(=O)NNC(=O)C2CCC2)cc1	ZINC000852447159	CD	On-Demand	Reactive	GPBAR1	37	46
COC[C@@H](NC[C@H](O)c1ccc(F)c(F)c1)c1cccc(OC)c1	ZINC000852447160	EF	On-Demand	Anodyne	ADRB3	32	47
COC[C@@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1cccc(OC)c1	ZINC000852447161	EF	On-Demand	Anodyne	ADRB3	32	47
COC[C@H](NC[C@H](O)c1ccc(F)c(F)c1)c1cccc(OC)c1	ZINC000852447162	EF	On-Demand	Anodyne	ADRB3	32	47
COC[C@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1cccc(OC)c1	ZINC000852447163	EF	On-Demand	Anodyne	ADRB3	32	47
CC(C)(C)OC(=O)N1CC(N(Cc2cccnc2)C2CCC2)C1	ZINC000852447193	DG	On-Demand	Anodyne	GPR119	40	40
CC(C)(C)OC(=O)N1CC(N(Cc2ccncc2)C2CCC2)C1	ZINC000852447200	DG	On-Demand	Anodyne	GPR119	45	44
N#Cc1ccc(CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1	ZINC000852447208	FF	On-Demand	Mild	KCNJ1	31	45
Cc1cccc(C(=O)NNC(=O)CN[C@H](c2ccccc2F)C(C)C)c1	ZINC000852447232	FF	On-Demand	Reactive	KCNK3	61	43
Cc1cccc(C(=O)NNC(=O)CN[C@H](c2ccccc2F)C(C)C)c1	ZINC000852447232	FF	On-Demand	Reactive	KCNK9	50	39
Cc1cccc(C(=O)NNC(=O)CN[C@@H](c2ccccc2F)C(C)C)c1	ZINC000852447233	FF	On-Demand	Reactive	KCNK3	61	43
Cc1cccc(C(=O)NNC(=O)CN[C@@H](c2ccccc2F)C(C)C)c1	ZINC000852447233	FF	On-Demand	Reactive	KCNK9	50	39
N#Cc1ccc(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)cc1	ZINC000852447249	FD	On-Demand	Mild	ADRB2	40	43
N#Cc1ccc(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)cc1	ZINC000852447249	FD	On-Demand	Mild	ADRB1	85	45
N#Cc1ccc(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)cc1	ZINC000852447249	FD	On-Demand	Mild	ADRB3	52	45
N#Cc1ccc(CCNC(=O)NC[C@H](O)COc2cccc(F)c2)cc1	ZINC000852447249	FD	On-Demand	Mild	PDS	39	40
N#Cc1ccc(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)cc1	ZINC000852447250	FD	On-Demand	Mild	ADRB2	40	43
N#Cc1ccc(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)cc1	ZINC000852447250	FD	On-Demand	Mild	ADRB1	85	45
N#Cc1ccc(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)cc1	ZINC000852447250	FD	On-Demand	Mild	ADRB3	52	45
N#Cc1ccc(CCNC(=O)NC[C@@H](O)COc2cccc(F)c2)cc1	ZINC000852447250	FD	On-Demand	Mild	PDS	39	40
COc1ccc(N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1F	ZINC000852447261	GF	On-Demand	Mild	PDGFRB	17	42
COc1ccc(N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1F	ZINC000852447261	GF	On-Demand	Mild	GPBAR1	35	41
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447286	GG	On-Demand	Mild	CCR3	18	40
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447286	GG	On-Demand	Mild	CACNA1I	48	40
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447286	GG	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447286	GG	On-Demand	Mild	GPR119	48	44
COC[C@@H](O)CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852447299	CC	On-Demand	Mild	ADRB2	24	40
COC[C@@H](O)CNC(=O)NCCc1ccc(C#N)cc1	ZINC000852447299	CC	On-Demand	Mild	ADRB1	58	40
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)NCCc3ccc(C#N)cc3)C2)C1	ZINC000852447312	GG	On-Demand	Mild	EPHX2	15	41
CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)NCCc3ccc(C#N)cc3)C2)C1	ZINC000852447312	GG	On-Demand	Mild	GPR119	20	42
CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)NCCc3ccc(C#N)cc3)C2)C1	ZINC000852447316	GG	On-Demand	Mild	EPHX2	15	41
CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)NCCc3ccc(C#N)cc3)C2)C1	ZINC000852447316	GG	On-Demand	Mild	GPR119	20	42
C[C@@H](CO)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852447324	EF	On-Demand	Anodyne	ACE	18	42
C[C@H](CO)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852447326	EF	On-Demand	Anodyne	ACE	18	42
C[C@H](CO)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852447328	EF	On-Demand	Anodyne	ACE	18	42
C[C@@H](CO)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852447331	EF	On-Demand	Anodyne	ACE	18	42
CN(C)c1ccc(N2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852447332	GG	On-Demand	Mild	CTSK	23	42
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852447340	FF	On-Demand	Mild	GPR119	35	56
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852447343	FF	On-Demand	Mild	GPR119	35	56
COC[C@H](NCC(=O)NNC(=O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447345	GE	On-Demand	Reactive	DRD4	46	37
COC[C@@H](NCC(=O)NNC(=O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447348	GE	On-Demand	Reactive	DRD4	46	37
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852447352	GG	On-Demand	Clean	COLA	70	39
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852447352	GG	On-Demand	Clean	MMP1	15	41
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852447352	GG	On-Demand	Clean	BCL2L1	61	36
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852447352	GG	On-Demand	Clean	BCL2	44	36
N#Cc1ccc(CCNC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)cc1	ZINC000852447355	GE	On-Demand	Mild	P2RY12	15	49
N#Cc1ccc(CCNC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)cc1	ZINC000852447355	GE	On-Demand	Mild	GPBAR1	36	48
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CCCn2ccnc2)C1	ZINC000852447364	FH	On-Demand	Anodyne	QPCT	30	41
Cc1nc(CN2C[C@@H](NC(=O)OC(C)(C)C)CCc3ccccc32)c(C)o1	ZINC000852447365	FI	On-Demand	Anodyne	PDE8B	51	32
Cc1nc(CN2C[C@H](NC(=O)OC(C)(C)C)CCc3ccccc32)c(C)o1	ZINC000852447366	FI	On-Demand	Anodyne	PDE8B	51	32
COC[C@H](NCCOc1ccc(C)cc1)c1cccc(OC)c1	ZINC000852447370	DG	On-Demand	Anodyne	DRD4	18	46
COC[C@H](NCCOc1ccc(C)cc1)c1cccc(OC)c1	ZINC000852447370	DG	On-Demand	Anodyne	MTNR1B	15	42
COC[C@@H](NCCOc1ccc(C)cc1)c1cccc(OC)c1	ZINC000852447372	DG	On-Demand	Anodyne	DRD4	18	46
COC[C@@H](NCCOc1ccc(C)cc1)c1cccc(OC)c1	ZINC000852447372	DG	On-Demand	Anodyne	MTNR1B	15	42
COC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852447379	DF	On-Demand	Anodyne	ADRB3	26	46
COC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852447379	DF	On-Demand	Anodyne	AOC3	15	53
COC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852447381	DF	On-Demand	Anodyne	ADRB3	26	46
COC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852447381	DF	On-Demand	Anodyne	AOC3	15	53
COC[C@H](NC[C@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852447382	DF	On-Demand	Anodyne	ADRB3	26	46
COC[C@H](NC[C@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852447382	DF	On-Demand	Anodyne	AOC3	15	53
COC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852447384	DF	On-Demand	Anodyne	ADRB3	26	46
COC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1cccc(OC)c1	ZINC000852447384	DF	On-Demand	Anodyne	AOC3	15	53
CCOC(=O)N1CCC(NC(=O)NCc2cnc(C(F)(F)F)nc2)CC1	ZINC000852447386	GD	On-Demand	Anodyne	EPHX2	41	41
CCOC(=O)N1CCC(NC(=O)NCc2cnc(C(F)(F)F)nc2)CC1	ZINC000852447386	GD	On-Demand	Anodyne	CCR8	21	40
COC[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447395	EG	On-Demand	Anodyne	ADRB2	25	51
COC[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447395	EG	On-Demand	Anodyne	ADRB1	38	48
COC[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447395	EG	On-Demand	Anodyne	ADRB3	59	52
COC[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447396	EG	On-Demand	Anodyne	ADRB2	25	51
COC[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447396	EG	On-Demand	Anodyne	ADRB1	38	48
COC[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447396	EG	On-Demand	Anodyne	ADRB3	59	52
COC[C@H](NC[C@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447397	EG	On-Demand	Anodyne	ADRB2	25	51
COC[C@H](NC[C@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447397	EG	On-Demand	Anodyne	ADRB1	38	48
COC[C@H](NC[C@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447397	EG	On-Demand	Anodyne	ADRB3	59	52
COC[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447398	EG	On-Demand	Anodyne	ADRB2	25	51
COC[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447398	EG	On-Demand	Anodyne	ADRB1	38	48
COC[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1cccc(OC)c1	ZINC000852447398	EG	On-Demand	Anodyne	ADRB3	59	52
Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1cnc(C(F)(F)F)nc1	ZINC000852447408	FG	On-Demand	Anodyne	TRAR	51	35
COC[C@@H](NC[C@H](O)c1cccc(F)c1)c1cccc(OC)c1	ZINC000852447417	DF	On-Demand	Anodyne	ADRB2	17	40
COC[C@@H](NC[C@H](O)c1cccc(F)c1)c1cccc(OC)c1	ZINC000852447417	DF	On-Demand	Anodyne	ADRB3	26	46
COC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1cccc(OC)c1	ZINC000852447418	DF	On-Demand	Anodyne	ADRB2	17	40
COC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1cccc(OC)c1	ZINC000852447418	DF	On-Demand	Anodyne	ADRB3	26	46
COC[C@H](NC[C@H](O)c1cccc(F)c1)c1cccc(OC)c1	ZINC000852447420	DF	On-Demand	Anodyne	ADRB2	17	40
COC[C@H](NC[C@H](O)c1cccc(F)c1)c1cccc(OC)c1	ZINC000852447420	DF	On-Demand	Anodyne	ADRB3	26	46
COC[C@H](NC[C@@H](O)c1cccc(F)c1)c1cccc(OC)c1	ZINC000852447422	DF	On-Demand	Anodyne	ADRB2	17	40
COC[C@H](NC[C@@H](O)c1cccc(F)c1)c1cccc(OC)c1	ZINC000852447422	DF	On-Demand	Anodyne	ADRB3	26	46
COC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852447427	EF	On-Demand	Mild	ADRB3	15	44
COC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852447433	EF	On-Demand	Mild	ADRB3	15	44
COC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852447435	EF	On-Demand	Mild	ADRB3	15	44
COC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cccc(OC)c1	ZINC000852447437	EF	On-Demand	Mild	ADRB3	15	44
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(CC(=O)NC2CC2)C1	ZINC000852447447	FF	On-Demand	Anodyne	ACE	16	45
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4cccc(F)n4)CC3)C2)cc1	ZINC000852447448	GE	On-Demand	Clean	NPBWR1	47	37
O=C(CNC(=O)NCc1cnc(C(F)(F)F)nc1)NCc1ccccc1	ZINC000852447451	FD	On-Demand	Anodyne	NAMPT	19	40
O=C(NCc1cnc(C(F)(F)F)nc1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852447458	GF	On-Demand	Anodyne	CCR2	27	44
CNS(=O)(=O)C1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852447466	GC	On-Demand	Clean	NPBWR1	46	31
CNS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852447468	GC	On-Demand	Clean	NPBWR1	46	31
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2N(Cc2ccncc2C#N)C1	ZINC000852447477	GH	On-Demand	Mild	GPR119	17	44
COc1cccc([C@H](O)CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852447488	FE	On-Demand	Anodyne	ROCK2	41	41
COc1cccc([C@H](O)CNC(=O)NCc2cnc(C(F)(F)F)nc2)c1	ZINC000852447488	FE	On-Demand	Anodyne	PDS	63	39
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CCCC#N)c3ccccc3)C2)cc1	ZINC000852447517	GI	On-Demand	Mild	EDNRB	23	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CCCC#N)c3ccccc3)C2)cc1	ZINC000852447517	GI	On-Demand	Mild	CCR5	16	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CCCC#N)c3ccccc3)C2)cc1	ZINC000852447518	GI	On-Demand	Mild	EDNRB	23	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CCCC#N)c3ccccc3)C2)cc1	ZINC000852447518	GI	On-Demand	Mild	CCR5	16	45
C[C@H](O)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852447519	DF	On-Demand	Anodyne	ACE	19	43
C[C@H](O)CN1C[C@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852447519	DF	On-Demand	Anodyne	CCKAR	15	41
C[C@H](O)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852447522	DF	On-Demand	Anodyne	ACE	19	43
C[C@H](O)CN1C[C@@H](NC(=O)OC(C)(C)C)CCc2ccccc21	ZINC000852447522	DF	On-Demand	Anodyne	CCKAR	15	41
N#Cc1ccc(CCNC(=O)NCC[C@@H](O)c2ccccc2)cc1	ZINC000852447564	DF	On-Demand	Mild	ADRB3	34	40
N#Cc1ccc(CCNC(=O)NCC[C@@H](O)c2ccccc2)cc1	ZINC000852447564	DF	On-Demand	Mild	CTRB_BOVIN	49	39
N#Cc1ccc(CCNC(=O)NCC[C@@H](O)c2ccccc2)cc1	ZINC000852447564	DF	On-Demand	Mild	FFAR1	25	40
N#Cc1ccc(CCNC(=O)NCC[C@H](O)c2ccccc2)cc1	ZINC000852447565	DF	On-Demand	Mild	ADRB3	34	40
N#Cc1ccc(CCNC(=O)NCC[C@H](O)c2ccccc2)cc1	ZINC000852447565	DF	On-Demand	Mild	CTRB_BOVIN	49	39
N#Cc1ccc(CCNC(=O)NCC[C@H](O)c2ccccc2)cc1	ZINC000852447565	DF	On-Demand	Mild	FFAR1	25	40
CC(C)(C)OC(=O)N1CC(N(Cc2ccc(C(N)=O)cc2)C2CCC2)C1	ZINC000852447566	FF	On-Demand	Anodyne	GPR119	32	49
N#Cc1ccc(CCNC(=O)NC2CCC(O)(c3ccccc3)CC2)cc1	ZINC000852447570	FG	On-Demand	Mild	CTSK	26	42
CC(C)(C)OC(=O)N1CC(N(CC(=O)NCc2ccccn2)C2CCC2)C1	ZINC000852447576	FE	On-Demand	Anodyne	GPR119	31	43
N#Cc1ccc(CCNC(=O)N2CCC(c3cn[nH]c3)CC2)cc1	ZINC000852447577	DE	On-Demand	Mild	FASN	41	37
N#Cc1ccc(CCNC(=O)N2CCC(c3cn[nH]c3)CC2)cc1	ZINC000852447577	DE	On-Demand	Mild	GPBAR1	36	41
Cn1ccnc1[C@H](O)C1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447584	FD	On-Demand	Mild	GPBAR1	33	41
Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447585	FD	On-Demand	Mild	GPBAR1	33	41
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1	ZINC000852447601	FF	On-Demand	Mild	CTSK	23	47
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1	ZINC000852447601	FF	On-Demand	Mild	MLNR	31	48
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1	ZINC000852447601	FF	On-Demand	Mild	EPHX2	17	50
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1	ZINC000852447601	FF	On-Demand	Mild	GPBAR1	35	47
N#Cc1ccc(CCNC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)cc1	ZINC000852447605	GF	On-Demand	Mild	CTSK	22	41
N#Cc1ccc(CCNC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)cc1	ZINC000852447605	GF	On-Demand	Mild	GPBAR1	34	42
COc1ccc(N2CC[C@H](NC(=O)N3CCOc4ccc(OC)cc4C3)C2)cc1	ZINC000852447607	GF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CCOc4ccc(OC)cc4C3)C2)cc1	ZINC000852447607	GF	On-Demand	Clean	MTNR1B	17	45
CC(C)(C)OC(=O)N1CC(N(CC(=O)NCc2ccc(C#N)cc2)C2CCC2)C1	ZINC000852447620	GF	On-Demand	Mild	GPR119	21	43
COc1ccc2c(CN[C@H](c3ccccc3F)C(C)C)cc(=O)oc2c1	ZINC000852447622	FI	On-Demand	Anodyne	MAOB	35	47
COc1ccc2c(CN[C@@H](c3ccccc3F)C(C)C)cc(=O)oc2c1	ZINC000852447623	FI	On-Demand	Anodyne	MAOB	35	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2)cc1	ZINC000852447640	GD	On-Demand	Clean	NPBWR1	40	31
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2)cc1	ZINC000852447641	GD	On-Demand	Clean	NPBWR1	40	31
N#Cc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1	ZINC000852447642	GF	On-Demand	Mild	GPBAR1	34	41
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)OC4(CCC4)C3)C2)cc1	ZINC000852447668	FF	On-Demand	Clean	NPBWR1	43	30
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)OC4(CCC4)C3)C2)cc1	ZINC000852447670	FF	On-Demand	Clean	NPBWR1	43	30
O=C(N1C[C@@H](NC[C@H](O)c2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852447735	FF	On-Demand	Anodyne	ADRB3	23	43
O=C(N1C[C@H](NC[C@H](O)c2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852447736	FF	On-Demand	Anodyne	ADRB3	23	43
N#Cc1ccc(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000852447740	GF	On-Demand	Mild	CTSK	24	42
N#Cc1ccc(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000852447740	GF	On-Demand	Mild	SSTR1	42	43
N#Cc1ccc(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000852447740	GF	On-Demand	Mild	KCNJ1	42	56
COC[C@@H](CCNC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)OC	ZINC000852447753	GF	On-Demand	Reactive	ROCK2	15	40
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C#N)[C@H](c4ccccc4)C3)C2)cc1	ZINC000852447761	GG	On-Demand	Mild	EPHX2	17	46
COC[C@@H](CCNC(=O)NC1CCC(O)(c2ccccc2)CC1)OC	ZINC000852447769	FE	On-Demand	Anodyne	KCNA3	34	40
CC(C)(C)OC(=O)N1CCCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447772	FF	On-Demand	Mild	GPBAR1	31	40
CC(C)(C)OC(=O)N1CCCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852447772	FF	On-Demand	Mild	GPR119	35	46
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1	ZINC000852447780	GF	On-Demand	Mild	TRPV1	26	41
COC[C@@H](CCNC(=O)N1CCCCCCC1)OC	ZINC000852447798	CE	On-Demand	Anodyne	DPP7	22	41
COC[C@@H](CCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)OC	ZINC000852447815	FH	On-Demand	Anodyne	RBP4	90	39
COC[C@@H](CCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F)OC	ZINC000852447815	FH	On-Demand	Anodyne	WNT3	41	33
CC[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H](CC)O1	ZINC000852447828	FF	On-Demand	Clean	MTNR1B	15	49
CC[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H](CC)O1	ZINC000852447829	FF	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NC(C)=O)C3)C2)cc1	ZINC000852447836	ED	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NC(C)=O)C3)C2)cc1	ZINC000852447836	ED	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NC(C)=O)C3)C2)cc1	ZINC000852447836	ED	On-Demand	Clean	EPHX2	19	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NC(C)=O)C3)C2)cc1	ZINC000852447837	ED	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NC(C)=O)C3)C2)cc1	ZINC000852447837	ED	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NC(C)=O)C3)C2)cc1	ZINC000852447837	ED	On-Demand	Clean	EPHX2	19	43
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(C)=O)CC3)C2)cc1	ZINC000852447846	FD	On-Demand	Clean	MMP13	19	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(C)=O)CC3)C2)cc1	ZINC000852447846	FD	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(C)=O)CC3)C2)cc1	ZINC000852447846	FD	On-Demand	Clean	MTNR1B	19	47
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(C)=O)CC3)C2)cc1	ZINC000852447846	FD	On-Demand	Clean	MMP3	19	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(C)=O)CC3)C2)cc1	ZINC000852447846	FD	On-Demand	Clean	MMP9	16	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(C)=O)CC3)C2)cc1	ZINC000852447846	FD	On-Demand	Clean	MMP7	20	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(C)=O)CC3)C2)cc1	ZINC000852447846	FD	On-Demand	Clean	MMP1	20	40
COc1ccc(N2CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C2)cc1	ZINC000852447850	GD	On-Demand	Clean	EPHX2	37	41
COc1ccc(N2CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C2)cc1	ZINC000852447852	GD	On-Demand	Clean	EPHX2	37	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)C3)C2)cc1	ZINC000852447864	FD	On-Demand	Clean	MMP13	16	40
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)C3)C2)cc1	ZINC000852447864	FD	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)C3)C2)cc1	ZINC000852447864	FD	On-Demand	Clean	MTNR1B	18	45
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)C3)C2)cc1	ZINC000852447864	FD	On-Demand	Clean	NPBWR1	66	32
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447866	GE	On-Demand	Clean	CCR3	36	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447866	GE	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447866	GE	On-Demand	Clean	MTNR1B	18	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447866	GE	On-Demand	Clean	BACE1	19	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447866	GE	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447869	GE	On-Demand	Clean	CCR3	36	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447869	GE	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447869	GE	On-Demand	Clean	MTNR1B	18	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447869	GE	On-Demand	Clean	BACE1	19	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3cccc(F)c3)C2)cc1	ZINC000852447869	GE	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)CC3CCCCC3)C2)cc1	ZINC000852447872	GF	On-Demand	Clean	CTSL	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)CC3CCCCC3)C2)cc1	ZINC000852447872	GF	On-Demand	Clean	CTSS	23	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)CC3CCCCC3)C2)cc1	ZINC000852447872	GF	On-Demand	Clean	EPHX2	16	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)CC3CCCCC3)C2)cc1	ZINC000852447873	GF	On-Demand	Clean	CTSL	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)CC3CCCCC3)C2)cc1	ZINC000852447873	GF	On-Demand	Clean	CTSS	23	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)CC3CCCCC3)C2)cc1	ZINC000852447873	GF	On-Demand	Clean	EPHX2	16	41
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4C[C@H]4C3)C2)cc1	ZINC000852447878	DE	On-Demand	Clean	MTNR1A	19	50
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4C[C@H]4C3)C2)cc1	ZINC000852447878	DE	On-Demand	Clean	MTNR1B	17	50
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@@H]4C[C@H]4C3)C2)cc1	ZINC000852447878	DE	On-Demand	Clean	EPHX2	30	45
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@H]4C[C@@H]4C3)C2)cc1	ZINC000852447880	DE	On-Demand	Clean	MTNR1A	19	50
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@H]4C[C@@H]4C3)C2)cc1	ZINC000852447880	DE	On-Demand	Clean	MTNR1B	17	50
COc1ccc(N2CC[C@H](NC(=O)NC3C[C@H]4C[C@@H]4C3)C2)cc1	ZINC000852447880	DE	On-Demand	Clean	EPHX2	30	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]4C[C@@H]4C3)C2)cc1	ZINC000852447881	DE	On-Demand	Clean	MTNR1A	19	50
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]4C[C@@H]4C3)C2)cc1	ZINC000852447881	DE	On-Demand	Clean	MTNR1B	17	50
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]4C[C@@H]4C3)C2)cc1	ZINC000852447881	DE	On-Demand	Clean	EPHX2	30	45
CCC(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852447882	ED	On-Demand	Clean	MTNR1A	15	49
CCC(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852447882	ED	On-Demand	Clean	MTNR1B	19	49
CCC(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852447882	ED	On-Demand	Clean	EPHX2	18	52
CCC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852447883	ED	On-Demand	Clean	MTNR1A	15	49
CCC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852447883	ED	On-Demand	Clean	MTNR1B	19	49
CCC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852447883	ED	On-Demand	Clean	EPHX2	18	52
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](CCNC(C)=O)C3)C2)cc1	ZINC000852447888	GE	On-Demand	Clean	MTNR1A	36	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](CCNC(C)=O)C3)C2)cc1	ZINC000852447888	GE	On-Demand	Clean	MTNR1B	35	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](CCNC(C)=O)C3)C2)cc1	ZINC000852447890	GE	On-Demand	Clean	MTNR1A	36	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](CCNC(C)=O)C3)C2)cc1	ZINC000852447890	GE	On-Demand	Clean	MTNR1B	35	43
COC[C@@H](CCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)OC	ZINC000852447933	FH	On-Demand	Anodyne	RBP4	90	39
COC[C@@H](CCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F)OC	ZINC000852447933	FH	On-Demand	Anodyne	WNT3	41	33
CC(C)(C)OC(=O)N1CC(N(Cc2cccc(S(C)(=O)=O)c2)C2CCC2)C1	ZINC000852447992	GG	On-Demand	Anodyne	CACNA1B	43	36
CC(C)(C)OC(=O)N1CC(N(Cc2cccc(S(C)(=O)=O)c2)C2CCC2)C1	ZINC000852447992	GG	On-Demand	Anodyne	GPR119	56	43
CC(C)(C)OC(=O)N1CC(N(Cc2ccc(S(C)(=O)=O)o2)C2CCC2)C1	ZINC000852447994	GF	On-Demand	Anodyne	GPR119	41	40
COc1ccc(N2CC[C@H](NC(=O)N3CCN([C@@H]4CCOC4)CC3)C2)cc1	ZINC000852447997	FD	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN([C@H]4CCOC4)CC3)C2)cc1	ZINC000852448000	FD	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448015	GF	On-Demand	Clean	DRD2	25	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448015	GF	On-Demand	Clean	DRD4	31	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448015	GF	On-Demand	Clean	DRD3	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448015	GF	On-Demand	Clean	SIGMAR1	35	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448015	GF	On-Demand	Clean	MCHR1	21	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448017	GF	On-Demand	Clean	DRD2	25	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448017	GF	On-Demand	Clean	DRD4	31	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448017	GF	On-Demand	Clean	DRD3	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448017	GF	On-Demand	Clean	SIGMAR1	35	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCN3Cc3ccccc3)C2)cc1	ZINC000852448017	GF	On-Demand	Clean	MCHR1	21	43
COc1ccc(N2CC[C@H](NC(=O)NCCC3SCCS3)C2)cc1	ZINC000852448039	FF	On-Demand	Clean	MTNR1A	16	45
CC(C)(C)OC(=O)N1CC(N(Cc2cnc(Cl)cn2)C2CCC2)C1	ZINC000852448040	FG	On-Demand	Anodyne	GPR119	39	40
CC(C)(C)OC(=O)N1CC(N(CCCn2ccnc2)C2CCC2)C1	ZINC000852448043	EF	On-Demand	Anodyne	TBXAS1	22	40
CC(C)(C)OC(=O)N1CC(N(CC(=O)Nc2nccs2)C2CCC2)C1	ZINC000852448044	FF	On-Demand	Anodyne	MAP1	89	39
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)NCCc1ccc(C#N)cc1	ZINC000852448046	GF	On-Demand	Mild	CTRB_BOVIN	46	36
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccccc4[C@H]3C)C2)cc1	ZINC000852448062	FH	On-Demand	Clean	MTNR1B	15	45
N#Cc1ccc(CCNC(=O)N2CCN(c3cccc(F)n3)CC2)cc1	ZINC000852448079	FE	On-Demand	Mild	GPBAR1	37	47
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852448102	EE	On-Demand	Clean	MTNR1A	16	50
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852448102	EE	On-Demand	Clean	MTNR1B	18	50
CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852448102	EE	On-Demand	Clean	EPHX2	32	45
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852448103	EE	On-Demand	Clean	MTNR1A	16	50
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852448103	EE	On-Demand	Clean	MTNR1B	18	50
CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852448103	EE	On-Demand	Clean	EPHX2	32	45
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)NCCc1ccc(C#N)cc1	ZINC000852448104	GG	On-Demand	Mild	GPR119	26	42
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)NCCc1ccc(C#N)cc1	ZINC000852448106	GG	On-Demand	Mild	GPR119	26	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3nsc4ccccc34)C2)cc1	ZINC000852448117	GG	On-Demand	Clean	DRD2	18	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3nsc4ccccc34)C2)cc1	ZINC000852448117	GG	On-Demand	Clean	MTNR1A	30	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3nsc4ccccc34)C2)cc1	ZINC000852448117	GG	On-Demand	Clean	MTNR1B	21	44
N#Cc1ccc(CCNC(=O)N2CCCCCCCC2)cc1	ZINC000852448119	CG	On-Demand	Mild	DPP7	47	41
N#Cc1ccc(CCNC(=O)N2CCCCCCCC2)cc1	ZINC000852448119	CG	On-Demand	Mild	GPBAR1	35	45
N#Cc1ccc(CCNC(=O)N2CCCCCCCC2)cc1	ZINC000852448119	CG	On-Demand	Mild	KCNJ1	18	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccn3)C2)cc1	ZINC000852448123	ED	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccn3)C2)cc1	ZINC000852448123	ED	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccn3)C2)cc1	ZINC000852448123	ED	On-Demand	Clean	EPHX2	17	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccn3)C2)cc1	ZINC000852448123	ED	On-Demand	Clean	MCHR1	18	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccn3)C2)cc1	ZINC000852448123	ED	On-Demand	Clean	NPBWR1	48	30
CC(C)(C)OC(=O)N1CC(N(Cc2ccc(-n3ccnc3)nc2)C2CCC2)C1	ZINC000852448125	GG	On-Demand	Anodyne	NOS2	63	33
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448137	GD	On-Demand	Clean	MMP13	24	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448137	GD	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448137	GD	On-Demand	Clean	MMP3	17	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448137	GD	On-Demand	Clean	MMP1	18	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448137	GD	On-Demand	Clean	NPBWR1	51	31
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448138	GD	On-Demand	Clean	MMP13	24	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448138	GD	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448138	GD	On-Demand	Clean	MMP3	17	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448138	GD	On-Demand	Clean	MMP1	18	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)C2)cc1	ZINC000852448138	GD	On-Demand	Clean	NPBWR1	51	31
COc1ccc(N2CC[C@H](NC(=O)NC3COCCOC3)C2)cc1	ZINC000852448142	EC	On-Demand	Clean	PDK1	43	30
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccnc(F)c4)CC3)C2)cc1	ZINC000852448165	GE	On-Demand	Clean	HRH4	25	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccnc(F)c4)CC3)C2)cc1	ZINC000852448165	GE	On-Demand	Clean	NPBWR1	42	31
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](CS(C)(=O)=O)C3)C2)cc1	ZINC000852448167	GD	On-Demand	Clean	MMP13	46	37
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](CS(C)(=O)=O)C3)C2)cc1	ZINC000852448167	GD	On-Demand	Clean	MMP3	42	37
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](CS(C)(=O)=O)C3)C2)cc1	ZINC000852448167	GD	On-Demand	Clean	MMP1	40	37
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](CS(C)(=O)=O)C3)C2)cc1	ZINC000852448168	GD	On-Demand	Clean	MMP13	46	37
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](CS(C)(=O)=O)C3)C2)cc1	ZINC000852448168	GD	On-Demand	Clean	MMP3	42	37
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](CS(C)(=O)=O)C3)C2)cc1	ZINC000852448168	GD	On-Demand	Clean	MMP1	40	37
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CS(C)(=O)=O)CC3)C2)cc1	ZINC000852448211	GD	On-Demand	Clean	MMP13	46	37
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CS(C)(=O)=O)CC3)C2)cc1	ZINC000852448211	GD	On-Demand	Clean	MMP3	41	36
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CS(C)(=O)=O)CC3)C2)cc1	ZINC000852448211	GD	On-Demand	Clean	EPHX2	15	41
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CCC[C@@H](C4)C3)C2)cc1	ZINC000852448215	EG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)N3Cc4cccc(Cl)c4C3)C2)cc1	ZINC000852448225	FH	On-Demand	Clean	DRD4	44	35
COc1ccc(N2CC[C@H](NC(=O)N3Cc4cccc(Cl)c4C3)C2)cc1	ZINC000852448225	FH	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3Cc4cccc(Cl)c4C3)C2)cc1	ZINC000852448225	FH	On-Demand	Clean	SSTR1	46	36
COC[C@@H](CCNC(=O)N1CCC(CCc2ccccc2)CC1)OC	ZINC000852448329	EG	On-Demand	Anodyne	ACHE	30	40
COC[C@@H](CCNC(=O)N1CCC(CCc2ccccc2)CC1)OC	ZINC000852448329	EG	On-Demand	Anodyne	SLC6A3	21	40
N#Cc1ccc(CCNC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000852448336	FF	On-Demand	Reactive	EPHX2	23	47
COC[C@@H](CCNC(=O)NCc1ccc(OC)cc1O)OC	ZINC000852448387	DD	On-Demand	Clean	MTNR1A	47	39
COC[C@@H](CCNC(=O)NNC(=O)c1cccc(Cl)c1)OC	ZINC000852448402	ED	On-Demand	Reactive	CTSV	15	40
COC[C@@H](CCNC(=O)NC[C@H](O)c1cccc(Cl)c1)OC	ZINC000852448415	ED	On-Demand	Anodyne	ADRB2	22	42
COC[C@@H](CCNC(=O)NC[C@H](O)c1cccc(Cl)c1)OC	ZINC000852448415	ED	On-Demand	Anodyne	ADRB1	42	43
COC[C@@H](CCNC(=O)NC[C@H](O)c1cccc(Cl)c1)OC	ZINC000852448415	ED	On-Demand	Anodyne	ADRB3	55	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3C)C2)cc1	ZINC000852448417	FG	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3C)C2)cc1	ZINC000852448417	FG	On-Demand	Clean	MCHR1	15	42
COC[C@@H](CCNC(=O)NC[C@@H](O)c1cccc(Cl)c1)OC	ZINC000852448420	ED	On-Demand	Anodyne	ADRB2	22	42
COC[C@@H](CCNC(=O)NC[C@@H](O)c1cccc(Cl)c1)OC	ZINC000852448420	ED	On-Demand	Anodyne	ADRB1	42	43
COC[C@@H](CCNC(=O)NC[C@@H](O)c1cccc(Cl)c1)OC	ZINC000852448420	ED	On-Demand	Anodyne	ADRB3	55	43
CCOC(=O)N1CCC(NC(=O)NCC[C@H](COC)OC)CC1	ZINC000852448423	EC	On-Demand	Anodyne	EPHX2	24	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3ccccc3)C2)cc1	ZINC000852448424	FE	On-Demand	Clean	DRD4	24	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3ccccc3)C2)cc1	ZINC000852448424	FE	On-Demand	Clean	SIGMAR1	22	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3ccccc3)C2)cc1	ZINC000852448424	FE	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3ccccc3)C2)cc1	ZINC000852448424	FE	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)Cc3ccccc3)C2)cc1	ZINC000852448424	FE	On-Demand	Clean	MCHR1	18	42
CCOC(=O)N1CCC(NC(=O)NCC[C@@H](COC)OC)CC1	ZINC000852448426	EC	On-Demand	Anodyne	EPHX2	24	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3ccccc3)C2)cc1	ZINC000852448429	FE	On-Demand	Clean	DRD4	24	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3ccccc3)C2)cc1	ZINC000852448429	FE	On-Demand	Clean	SIGMAR1	22	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3ccccc3)C2)cc1	ZINC000852448429	FE	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3ccccc3)C2)cc1	ZINC000852448429	FE	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)Cc3ccccc3)C2)cc1	ZINC000852448429	FE	On-Demand	Clean	MCHR1	18	42
COC[C@@H](CCNC(=O)NCCc1c[nH]c2cccc(OC)c12)OC	ZINC000852448431	EE	On-Demand	Anodyne	MTNR1A	16	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)nc3)C2)cc1	ZINC000852448433	FF	On-Demand	Clean	MCHR1	16	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(OC)c3)C2)cc1	ZINC000852448456	GE	On-Demand	Clean	DRD4	43	36
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(OC)c3)C2)cc1	ZINC000852448456	GE	On-Demand	Clean	MTNR1A	35	55
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(OC)c3)C2)cc1	ZINC000852448456	GE	On-Demand	Clean	MTNR1B	36	55
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(OC)c3)C2)cc1	ZINC000852448456	GE	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3cccc(OC)c3)C2)cc1	ZINC000852448457	GE	On-Demand	Clean	DRD4	43	36
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3cccc(OC)c3)C2)cc1	ZINC000852448457	GE	On-Demand	Clean	MTNR1A	35	55
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3cccc(OC)c3)C2)cc1	ZINC000852448457	GE	On-Demand	Clean	MTNR1B	36	55
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3cccc(OC)c3)C2)cc1	ZINC000852448457	GE	On-Demand	Clean	MCHR1	17	41
N#Cc1ccc(CCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1	ZINC000852448460	GD	On-Demand	Mild	CA2	16	43
N#Cc1ccc(CCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1	ZINC000852448460	GD	On-Demand	Mild	CA1	18	43
N#Cc1ccc(CCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1	ZINC000852448460	GD	On-Demand	Mild	CA5B	17	42
N#Cc1ccc(CCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1	ZINC000852448460	GD	On-Demand	Mild	CA5A	16	43
N#Cc1ccc(CCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1	ZINC000852448460	GD	On-Demand	Mild	CA9	15	43
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3cccc(C#N)c3)C2)cc1	ZINC000852448474	GH	On-Demand	Mild	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)C2)cc1	ZINC000852448477	GH	On-Demand	Mild	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C4CCC4)C3)C2)cc1	ZINC000852448497	EG	On-Demand	Clean	EPHX2	20	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C4CCC4)C3)C2)cc1	ZINC000852448498	EG	On-Demand	Clean	EPHX2	20	43
O=C(N1C[C@H](NC[C@@H](O)c2cccnc2)Cc2ccccc21)C(F)(F)F	ZINC000852448525	FE	On-Demand	Anodyne	ADRB3	77	51
O=C(N1C[C@@H](NC[C@@H](O)c2cccnc2)Cc2ccccc21)C(F)(F)F	ZINC000852448526	FE	On-Demand	Anodyne	ADRB3	77	51
O=C(N1C[C@@H](NC[C@H](O)c2cccnc2)Cc2ccccc21)C(F)(F)F	ZINC000852448527	FE	On-Demand	Anodyne	ADRB3	77	51
O=C(N1C[C@H](NC[C@H](O)c2cccnc2)Cc2ccccc21)C(F)(F)F	ZINC000852448528	FE	On-Demand	Anodyne	ADRB3	77	51
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)N(C)[C@H](C)C3)C2)cc1	ZINC000852448532	EE	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	DRD4	23	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	SIGMAR1	22	46
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	MMP13	22	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	MTNR1A	22	51
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	MTNR1B	18	51
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	MMP3	22	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	MMP9	16	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	MMP7	15	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	MMP1	19	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	MCHR1	21	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)NCc3ccccc3)C2)cc1	ZINC000852448599	GE	On-Demand	Clean	CACNA1G	20	40
CCc1nc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)co1	ZINC000852448601	EE	On-Demand	Clean	NPBWR1	64	32
CCc1nc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)co1	ZINC000852448603	EE	On-Demand	Clean	NPBWR1	64	32
COC[C@@H](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)OC	ZINC000852448606	FD	On-Demand	Anodyne	ACE	42	41
COC[C@@H](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)OC	ZINC000852448606	FD	On-Demand	Anodyne	MME	24	41
COC[C@@H](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)OC	ZINC000852448610	FD	On-Demand	Anodyne	ACE	42	41
COC[C@@H](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)OC	ZINC000852448610	FD	On-Demand	Anodyne	MME	24	41
COC[C@@H](CCNC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1)OC	ZINC000852448641	FD	On-Demand	Anodyne	ADRA1A	23	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C)cn3)C2)cc1	ZINC000852448642	EE	On-Demand	Clean	NPBWR1	57	39
COC[C@@H](CCNC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1)OC	ZINC000852448647	FD	On-Demand	Anodyne	ADRA1A	23	43
COC[C@@H](CCNC(=O)NC[C@H](O)c1cccc(OC)c1)OC	ZINC000852448664	ED	On-Demand	Anodyne	ADRB3	40	43
COC[C@@H](CCNC(=O)NC[C@H](O)c1cccc(OC)c1)OC	ZINC000852448664	ED	On-Demand	Anodyne	MTNR1A	38	44
COC[C@@H](CCNC(=O)NC[C@H](O)c1cccc(OC)c1)OC	ZINC000852448664	ED	On-Demand	Anodyne	MTNR1B	36	44
COC[C@@H](CCNC(=O)NC[C@@H](O)c1cccc(OC)c1)OC	ZINC000852448668	ED	On-Demand	Anodyne	ADRB3	40	43
COC[C@@H](CCNC(=O)NC[C@@H](O)c1cccc(OC)c1)OC	ZINC000852448668	ED	On-Demand	Anodyne	MTNR1A	38	44
COC[C@@H](CCNC(=O)NC[C@@H](O)c1cccc(OC)c1)OC	ZINC000852448668	ED	On-Demand	Anodyne	MTNR1B	36	44
COC[C@@H](CCNC(=O)N[C@H](C)c1cc(OC)ccc1O)OC	ZINC000852448696	ED	On-Demand	Clean	THRA	41	36
COC[C@@H](CCNC(=O)N[C@H](C)c1cc(OC)ccc1O)OC	ZINC000852448696	ED	On-Demand	Clean	THRB	47	36
COC[C@@H](CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O)OC	ZINC000852448697	ED	On-Demand	Clean	THRA	41	36
COC[C@@H](CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O)OC	ZINC000852448697	ED	On-Demand	Clean	THRB	47	36
COC[C@@H](CCNC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)OC	ZINC000852448721	FF	On-Demand	Anodyne	CHRNA10	49	47
COc1ccc(N2CC[C@H](NC(=O)N3CC(F)C3)C2)cc1	ZINC000852448740	CD	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)N3CC(F)C3)C2)cc1	ZINC000852448740	CD	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OC(=O)N(C)C)CC3)C2)cc1	ZINC000852448747	GE	On-Demand	Clean	EPHX2	16	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	ACE	45	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	DRD4	21	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	SIGMAR1	22	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MMP13	39	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	KLK3	66	33
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	CTSB	47	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	PAPA1_CARPA	55	36
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	CYSP_TRYCR	36	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	CTSK	38	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	CTSL	43	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	CAPNS1	60	32
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MMP2	27	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MMP3	48	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MMP8	19	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	CAPN1	63	38
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MMP9	36	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	CAPN2	93	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MMP7	26	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MMP1	43	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	MCHR1	22	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	BIRC2	38	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	PSMB8	47	36
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)OCc3ccccc3)C2)cc1	ZINC000852448757	GF	On-Demand	Clean	SLC12A5	49	39
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3c3nc(C)no3)C2)cc1	ZINC000852448775	FF	On-Demand	Clean	CPT1A	49	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3c3nc(C)no3)C2)cc1	ZINC000852448776	FF	On-Demand	Clean	CPT1A	49	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccc(Cl)cc3)C2)cc1	ZINC000852448787	GF	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccc(Cl)cc3)C2)cc1	ZINC000852448787	GF	On-Demand	Clean	UTS2	42	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccc(Cl)cc3)C2)cc1	ZINC000852448788	GF	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccc(Cl)cc3)C2)cc1	ZINC000852448788	GF	On-Demand	Clean	UTS2	42	41
COC[C@@H](CCNC(=O)NC1CCN(C(=O)OC(C)C)CC1)OC	ZINC000852448819	ED	On-Demand	Anodyne	EPHX2	20	42
Cc1ccc(N2CCCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852448825	FG	On-Demand	Mild	CTSK	28	45
Cc1ccc(N2CCCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852448825	FG	On-Demand	Mild	GPBAR1	34	45
COC[C@@H](CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)OC	ZINC000852448827	FD	On-Demand	Clean	EPHB4	43	35
COC[C@@H](CCNC(=O)NCc1ccc(C)c(F)c1)OC	ZINC000852448840	CD	On-Demand	Anodyne	TRPV1	15	40
COC[C@@H](CCNC(=O)NCc1ccc(C)c(F)c1)OC	ZINC000852448840	CD	On-Demand	Anodyne	LEF	63	35
COC[C@@H](CCNC(=O)NNC(=O)Nc1ccc(OC)cc1)OC	ZINC000852448851	ED	On-Demand	Reactive	ADRB1	21	42
COC[C@@H](CCNC(=O)NNC(=O)Nc1ccc(OC)cc1)OC	ZINC000852448851	ED	On-Demand	Reactive	CA9	16	41
CC(C)(C)OC(=O)NC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852448865	FF	On-Demand	Mild	MLNR	15	41
CC(C)(C)OC(=O)NC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852448865	FF	On-Demand	Mild	GPBAR1	32	41
CC(C)(C)OC(=O)NC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852448865	FF	On-Demand	Mild	GPR119	16	41
COC[C@@H](CCNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1)OC	ZINC000852448879	EF	On-Demand	Anodyne	ADRA1A	56	37
COC[C@@H](CCNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1)OC	ZINC000852448880	EF	On-Demand	Anodyne	ADRA1A	56	37
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccc(C#N)cc1	ZINC000852448910	GF	On-Demand	Mild	MAPKAPK2	20	41
CCCOc1ccc(C(=O)NNC(=O)NCCc2ccc(C#N)cc2)cc1OC	ZINC000852448915	GF	On-Demand	Reactive	CNR2	32	43
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(OC(F)F)CC3)C2)cc1	ZINC000852448927	GG	On-Demand	Clean	EPHX2	51	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OC4CCC4)CC3)C2)cc1	ZINC000852448955	FG	On-Demand	Clean	EPHX2	22	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)ccn3)C2)cc1	ZINC000852448967	EE	On-Demand	Clean	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](O)CC3)C2)cc1	ZINC000852448981	ED	On-Demand	Clean	MTNR1A	18	50
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](O)CC3)C2)cc1	ZINC000852448981	ED	On-Demand	Clean	MTNR1B	19	50
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](O)CC3)C2)cc1	ZINC000852448981	ED	On-Demand	Clean	EPHX2	47	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](O)CC3)C2)cc1	ZINC000852448981	ED	On-Demand	Clean	MCHR1	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Oc4ccccc4)C3)C2)cc1	ZINC000852449012	GG	On-Demand	Clean	SLC18A3	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Oc4ccccc4)C3)C2)cc1	ZINC000852449012	GG	On-Demand	Clean	EPHX2	34	56
COC[C@@H](CCNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)OC	ZINC000852449055	FD	On-Demand	Anodyne	EPHX2	16	49
COC[C@@H](CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)OC	ZINC000852449111	FG	On-Demand	Anodyne	TACR1	40	35
COC[C@@H](CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)OC	ZINC000852449111	FG	On-Demand	Anodyne	CACNA1B	42	34
COC[C@@H](CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)OC	ZINC000852449111	FG	On-Demand	Anodyne	CCR2	94	42
COC[C@@H](CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)OC	ZINC000852449111	FG	On-Demand	Anodyne	PDS	44	35
COC[C@@H](CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)OC	ZINC000852449112	FG	On-Demand	Anodyne	TACR1	40	35
COC[C@@H](CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)OC	ZINC000852449112	FG	On-Demand	Anodyne	CACNA1B	42	34
COC[C@@H](CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)OC	ZINC000852449112	FG	On-Demand	Anodyne	CCR2	94	42
COC[C@@H](CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)OC	ZINC000852449112	FG	On-Demand	Anodyne	PDS	44	35
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](OC(C)C)C3)C2)cc1	ZINC000852449138	EE	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)C2)cc1	ZINC000852449141	GG	On-Demand	Clean	PDK1	40	34
COc1ccc(N2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)C2)cc1	ZINC000852449141	GG	On-Demand	Clean	MCHR1	21	44
COc1ccc(N2CC[C@H](NC(=O)N3CC(F)(F)C(F)(F)C3)C2)cc1	ZINC000852449148	FF	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccc(C)c(C)c3)C2)cc1	ZINC000852449161	GF	On-Demand	Clean	MCHR1	16	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccc(C)c(C)c3)C2)cc1	ZINC000852449163	GF	On-Demand	Clean	MCHR1	16	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4nc(C)no4)C3)C2)cc1	ZINC000852449238	FE	On-Demand	Clean	SMO	36	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4nc(C)no4)C3)C2)cc1	ZINC000852449238	FE	On-Demand	Clean	ETHR	52	38
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4nc(C)no4)C3)C2)cc1	ZINC000852449240	FE	On-Demand	Clean	SMO	36	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4nc(C)no4)C3)C2)cc1	ZINC000852449240	FE	On-Demand	Clean	ETHR	52	38
COC[C@@H](CCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)OC	ZINC000852449317	GD	On-Demand	Anodyne	NPY2R	51	35
COC[C@@H](CCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)OC	ZINC000852449317	GD	On-Demand	Anodyne	SLC6A9	20	43
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852449318	FE	On-Demand	Mild	ADRB2	24	45
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852449318	FE	On-Demand	Mild	MTNR1A	53	41
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2ccc(C#N)cc2)c1	ZINC000852449318	FE	On-Demand	Mild	MTNR1B	45	37
COC[C@@H](CCNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1)OC	ZINC000852449321	FE	On-Demand	Anodyne	PDS	43	38
COC[C@@H](CCNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1)OC	ZINC000852449323	FE	On-Demand	Anodyne	PDS	43	38
Cc1cc([C@@H]2CCCN2C(=O)NCCc2ccc(C#N)cc2)no1	ZINC000852449374	DF	On-Demand	Mild	GPBAR1	34	41
COc1ccc(N2CC[C@H](NC(=O)N(C)CCNC(C)=O)C2)cc1	ZINC000852449378	ED	On-Demand	Clean	MTNR1A	58	45
COc1ccc(N2CC[C@H](NC(=O)N(C)CCNC(C)=O)C2)cc1	ZINC000852449378	ED	On-Demand	Clean	MTNR1B	53	45
CNC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852449389	ED	On-Demand	Clean	EPHX2	19	44
CNC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852449391	ED	On-Demand	Clean	EPHX2	19	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(C)C)C(=O)C3)C2)cc1	ZINC000852449392	FD	On-Demand	Clean	MMP7	17	42
COc1ccc(N2CC[C@H](NC(=O)N3CCC(C4CCOCC4)CC3)C2)cc1	ZINC000852449410	GG	On-Demand	Clean	EPHX2	20	43
CCC[C@@H](O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852449428	EE	On-Demand	Anodyne	TPP2	55	34
CCC[C@H](O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852449429	EE	On-Demand	Anodyne	TPP2	55	34
CCC[C@@H](O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852449430	EE	On-Demand	Anodyne	TPP2	55	34
CCC[C@H](O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852449431	EE	On-Demand	Anodyne	TPP2	55	34
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3c(F)cccc3F)C2)cc1	ZINC000852449466	GG	On-Demand	Clean	MTNR1A	15	49
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3c(F)cccc3F)C2)cc1	ZINC000852449466	GG	On-Demand	Clean	MTNR1B	15	49
CC[C@H](O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852449468	DD	On-Demand	Anodyne	TPP2	53	35
CC[C@H](O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852449470	DD	On-Demand	Anodyne	TPP2	53	35
COc1ccc(N2CCCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852449509	GG	On-Demand	Mild	CTSK	33	45
COc1ccc(N2CCCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852449509	GG	On-Demand	Mild	CTSL	19	45
COc1ccc(N2CCCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852449509	GG	On-Demand	Mild	GPBAR1	36	44
COc1ccc(N2CC[C@H](NC(=O)NNc3cc(C(F)(F)F)ccn3)C2)cc1	ZINC000852449581	GG	On-Demand	Reactive	CCR2	34	42
COc1ccc(N2CC[C@H](NC(=O)NNc3cc(C(F)(F)F)ccn3)C2)cc1	ZINC000852449581	GG	On-Demand	Reactive	SLC6A5	32	40
COc1ccc(N2CC[C@H](NC(=O)NNc3cc(C(F)(F)F)ccn3)C2)cc1	ZINC000852449581	GG	On-Demand	Reactive	LIPG	46	35
COc1ccc(N2CC[C@H](NC(=O)NNc3cc(C(F)(F)F)ccn3)C2)cc1	ZINC000852449581	GG	On-Demand	Reactive	MAP3K12	32	40
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](CF)C3)C2)cc1	ZINC000852449588	ED	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](CF)C3)C2)cc1	ZINC000852449591	ED	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cc4ccccc4[nH]3)C2)cc1	ZINC000852449616	FG	On-Demand	Clean	DRD4	22	40
COc1ccc(N2CC[C@H](NC(=O)NCc3cc4ccccc4[nH]3)C2)cc1	ZINC000852449616	FG	On-Demand	Clean	MTNR1A	27	47
COc1ccc(N2CC[C@H](NC(=O)NCc3cc4ccccc4[nH]3)C2)cc1	ZINC000852449616	FG	On-Demand	Clean	MTNR1B	25	47
COc1ccc(N2CC[C@H](NC(=O)NCc3cc4ccccc4[nH]3)C2)cc1	ZINC000852449616	FG	On-Demand	Clean	MCHR1	17	42
CCOC(=O)C1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852449618	GF	On-Demand	Clean	MTNR1A	17	48
CCOC(=O)C1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852449618	GF	On-Demand	Clean	MTNR1B	18	48
CCOC(=O)C1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852449619	GF	On-Demand	Clean	MTNR1A	17	48
CCOC(=O)C1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852449619	GF	On-Demand	Clean	MTNR1B	18	48
COc1ccc(N2CC[C@H](NC(=O)N3CCC(C)(O)CC3)C2)cc1	ZINC000852449624	ED	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N3CCC(C)(O)CC3)C2)cc1	ZINC000852449624	ED	On-Demand	Clean	EPHX2	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](n4cccn4)C3)C2)cc1	ZINC000852449626	FE	On-Demand	Clean	EPHX2	20	45
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](n4cccn4)C3)C2)cc1	ZINC000852449628	FE	On-Demand	Clean	EPHX2	20	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCSC3)C2)cc1	ZINC000852449652	EE	On-Demand	Clean	MMP13	17	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCSC3)C2)cc1	ZINC000852449652	EE	On-Demand	Clean	MMP3	23	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCSC3)C2)cc1	ZINC000852449652	EE	On-Demand	Clean	MMP1	21	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCSC3)C2)cc1	ZINC000852449654	EE	On-Demand	Clean	MMP13	17	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCSC3)C2)cc1	ZINC000852449654	EE	On-Demand	Clean	MMP3	23	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCSC3)C2)cc1	ZINC000852449654	EE	On-Demand	Clean	MMP1	21	42
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccc(Cl)cc4C3)C2)cc1	ZINC000852449670	FH	On-Demand	Clean	HSD17B3	24	42
COC[C@@H](CCNC(=O)NCCNc1ncccc1C#N)OC	ZINC000852449730	DC	On-Demand	Mild	ADRB1	45	34
COC[C@@H](CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)OC	ZINC000852449732	FD	On-Demand	Reactive	EPHX2	27	42
COC[C@@H](CCNC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1)OC	ZINC000852449739	FF	On-Demand	Anodyne	ADRB3	45	38
COC[C@@H](CCNC(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1)OC	ZINC000852449739	FF	On-Demand	Anodyne	MME	18	40
COC[C@@H](CCNC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1)OC	ZINC000852449741	FF	On-Demand	Anodyne	ADRB3	45	38
COC[C@@H](CCNC(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1)OC	ZINC000852449741	FF	On-Demand	Anodyne	MME	18	40
CC(=O)c1ccc(N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)c(F)c1	ZINC000852449772	GF	On-Demand	Mild	NPY2R	29	40
CC(=O)c1ccc(N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)c(F)c1	ZINC000852449772	GF	On-Demand	Mild	SLC6A9	26	44
CC(=O)c1ccc(N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)c(F)c1	ZINC000852449772	GF	On-Demand	Mild	CXCR3	15	43
CC(=O)c1ccc(N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)c(F)c1	ZINC000852449772	GF	On-Demand	Mild	GPBAR1	33	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](F)C3)C2)cc1	ZINC000852449785	DE	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](F)C3)C2)cc1	ZINC000852449785	DE	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](F)C3)C2)cc1	ZINC000852449785	DE	On-Demand	Clean	EPHX2	21	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](F)C3)C2)cc1	ZINC000852449787	DE	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](F)C3)C2)cc1	ZINC000852449787	DE	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](F)C3)C2)cc1	ZINC000852449787	DE	On-Demand	Clean	EPHX2	21	43
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccc(C(C)=O)cc4C3)C2)cc1	ZINC000852449788	GG	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccc(C(C)=O)cc4C3)C2)cc1	ZINC000852449788	GG	On-Demand	Clean	MTNR1B	17	45
C[C@@H](CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)S(C)(=O)=O	ZINC000852449790	FD	On-Demand	Anodyne	TPP2	45	34
C[C@@H](CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)S(C)(=O)=O	ZINC000852449791	FD	On-Demand	Anodyne	TPP2	45	34
O=C(N1C[C@@H](NCc2ccccc2[N+](=O)[O-])Cc2ccccc21)C(F)(F)F	ZINC000852449804	GG	On-Demand	Bother	COLA	43	34
O=C(N1C[C@H](NCc2ccccc2[N+](=O)[O-])Cc2ccccc21)C(F)(F)F	ZINC000852449805	GG	On-Demand	Bother	COLA	43	34
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852449810	GD	On-Demand	Mild	MTNR1A	18	44
C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852449810	GD	On-Demand	Mild	MTNR1B	19	44
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852449811	GD	On-Demand	Mild	MTNR1A	18	44
C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852449811	GD	On-Demand	Mild	MTNR1B	19	44
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@]3(O)CCc4ccccc43)C2)cc1	ZINC000852449812	GF	On-Demand	Clean	MTNR1B	16	43
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@]3(O)CCc4ccccc43)C2)cc1	ZINC000852449814	GF	On-Demand	Clean	MTNR1B	16	43
COc1ccc(N2CC[C@H](NC(=O)NCC3CCC(F)CC3)C2)cc1	ZINC000852449820	EG	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)NCC3CCC(F)CC3)C2)cc1	ZINC000852449820	EG	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CCCOCC3)C2)cc1	ZINC000852449826	DD	On-Demand	Clean	MMP13	18	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCOCC3)C2)cc1	ZINC000852449826	DD	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N3CCCOCC3)C2)cc1	ZINC000852449826	DD	On-Demand	Clean	MMP1	17	40
CC[C@H]1CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852449832	DE	On-Demand	Clean	MTNR1B	15	51
CC[C@H]1CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852449833	DE	On-Demand	Clean	MTNR1B	15	51
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCCN3C)C2)cc1	ZINC000852449850	EE	On-Demand	Clean	CHRNA10	55	37
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H]3CCCN3C)C2)cc1	ZINC000852449850	EE	On-Demand	Clean	ACKR3	62	31
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCCN3C)C2)cc1	ZINC000852449852	EE	On-Demand	Clean	CHRNA10	55	37
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H]3CCCN3C)C2)cc1	ZINC000852449852	EE	On-Demand	Clean	ACKR3	62	31
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CCCC[C@H]4C3)C2)cc1	ZINC000852449870	EG	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CCCC[C@H]4C3)C2)cc1	ZINC000852449870	EG	On-Demand	Clean	EPHX2	15	41
COC[C@@H](CCNC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)OC	ZINC000852449900	FG	On-Demand	Anodyne	EPHX2	20	48
COC[C@@H](CCNC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)OC	ZINC000852449901	FG	On-Demand	Anodyne	EPHX2	20	48
CCOC(=O)N[C@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852449905	EE	On-Demand	Mild	GPBAR1	34	43
COC[C@@H](CCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)OC	ZINC000852449922	FD	On-Demand	Reactive	EPHX2	27	42
COC[C@@H](CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC	ZINC000852449957	FD	On-Demand	Bother	SSTR1	47	44
COC[C@@H](CCNC(=O)NCC(=O)NCc1ccccc1)OC	ZINC000852449966	DC	On-Demand	Anodyne	MME	17	43
COC[C@@H](CCNC(=O)NCC(=O)NCc1ccccc1)OC	ZINC000852449966	DC	On-Demand	Anodyne	PDS	56	39
COC[C@@H](CCNC(=O)N1CCC[C@@H](c2ccccc2)CC1)OC	ZINC000852449968	EG	On-Demand	Anodyne	SLC18A3	31	40
COC[C@@H](CCNC(=O)N1CCC[C@@H](c2ccccc2)CC1)OC	ZINC000852449968	EG	On-Demand	Anodyne	LIPE	15	45
COC[C@@H](CCNC(=O)N1CCC[C@@H](c2ccccc2)CC1)OC	ZINC000852449968	EG	On-Demand	Anodyne	EPHX2	26	42
COC[C@@H](CCNC(=O)N1CCC[C@@H](c2ccccc2)CC1)OC	ZINC000852449968	EG	On-Demand	Anodyne	TPSAB1	15	40
COC[C@@H](CCNC(=O)N1CCC[C@H](c2ccccc2)CC1)OC	ZINC000852449970	EG	On-Demand	Anodyne	SLC18A3	31	40
COC[C@@H](CCNC(=O)N1CCC[C@H](c2ccccc2)CC1)OC	ZINC000852449970	EG	On-Demand	Anodyne	LIPE	15	45
COC[C@@H](CCNC(=O)N1CCC[C@H](c2ccccc2)CC1)OC	ZINC000852449970	EG	On-Demand	Anodyne	EPHX2	26	42
COC[C@@H](CCNC(=O)N1CCC[C@H](c2ccccc2)CC1)OC	ZINC000852449970	EG	On-Demand	Anodyne	TPSAB1	15	40
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCCc2ccc(C#N)cc2)O1	ZINC000852449983	EC	On-Demand	Reactive	GPBAR1	29	40
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCCc2ccc(C#N)cc2)O1	ZINC000852449984	EC	On-Demand	Reactive	GPBAR1	29	40
COc1ccc2c(c1)CN(C(=O)NCCc1ccc(C#N)cc1)CCO2	ZINC000852449989	FF	On-Demand	Mild	BMP1	57	36
COc1ccc2c(c1)CN(C(=O)NCCc1ccc(C#N)cc1)CCO2	ZINC000852449989	FF	On-Demand	Mild	MTNR1A	41	39
COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852449991	FE	On-Demand	Mild	GPBAR1	32	41
CC(C)(C)OC(=O)N1CC(N(CC(=O)Nc2cnccn2)C2CCC2)C1	ZINC000852449994	FD	On-Demand	Anodyne	GPR119	31	45
COc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3N3CCCC3)C2)cc1	ZINC000852449996	GF	On-Demand	Clean	MTNR1A	19	43
COc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3N3CCCC3)C2)cc1	ZINC000852449996	GF	On-Demand	Clean	MTNR1B	18	43
COc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3N3CCCC3)C2)cc1	ZINC000852449996	GF	On-Demand	Clean	SCN10A	16	41
COc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3N3CCCC3)C2)cc1	ZINC000852449996	GF	On-Demand	Clean	MCHR1	15	43
N#Cc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1	ZINC000852449998	GF	On-Demand	Mild	CTSK	30	41
N#Cc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1	ZINC000852449998	GF	On-Demand	Mild	CTSL	16	41
N#Cc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1	ZINC000852449998	GF	On-Demand	Mild	GPBAR1	34	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3Cc4ccccc4[C@@H]3C)C2)cc1	ZINC000852450002	FG	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)NNc3ccc(Cl)cn3)C2)cc1	ZINC000852450025	FF	On-Demand	Reactive	F10	48	31
COc1ccc(N2CC[C@H](NC(=O)NNc3ccc(Cl)cn3)C2)cc1	ZINC000852450025	FF	On-Demand	Reactive	NPBWR1	43	38
CC(C)(C)OC(=O)N1CC(N(Cc2nc(O)c3ccccc3n2)C2CCC2)C1	ZINC000852450026	GG	On-Demand	Anodyne	TNKS	60	34
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(OC4CC4)c3F)C2)cc1	ZINC000852450030	GG	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(OC4CC4)c3F)C2)cc1	ZINC000852450030	GG	On-Demand	Clean	SCD1	16	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCC4(CC3)CC4(F)F)C2)cc1	ZINC000852450032	GH	On-Demand	Clean	MTNR1B	15	46
N#Cc1ccc(CCNC(=O)N2CCN(c3ccnc(F)c3)CC2)cc1	ZINC000852450042	FE	On-Demand	Mild	CTSK	25	40
N#Cc1ccc(CCNC(=O)N2CCN(c3ccnc(F)c3)CC2)cc1	ZINC000852450042	FE	On-Demand	Mild	GPBAR1	34	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)N(C)C)CC3)C2)cc1	ZINC000852450044	GD	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)N(C)C)CC3)C2)cc1	ZINC000852450044	GD	On-Demand	Clean	MCHR1	16	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN(CC4CC4)C3)C2)cc1	ZINC000852450048	GF	On-Demand	Clean	CCR3	60	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN(CC4CC4)C3)C2)cc1	ZINC000852450052	GF	On-Demand	Clean	CCR3	60	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4occc4c3)C2)cc1	ZINC000852450064	FH	On-Demand	Clean	EDNRA	20	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4occc4c3)C2)cc1	ZINC000852450064	FH	On-Demand	Clean	MTNR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4occc4c3)C2)cc1	ZINC000852450064	FH	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4occc4c3)C2)cc1	ZINC000852450064	FH	On-Demand	Clean	MCHR1	19	51
COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCC4)CC3)C2)cc1	ZINC000852450066	EG	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCC4)CC3)C2)cc1	ZINC000852450066	EG	On-Demand	Clean	NPBWR1	52	30
COc1ccc(N2CC[C@H](NC(=O)NNc3ncncc3F)C2)cc1	ZINC000852450070	ED	On-Demand	Reactive	NPBWR1	40	32
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4nncn4C)CC3)C2)cc1	ZINC000852450106	GC	On-Demand	Clean	NPBWR1	40	30
COc1ccc(N2CC[C@H](NC(=O)N3CCc4cccc(OC)c4C3)C2)cc1	ZINC000852450120	GG	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CCc4cccc(OC)c4C3)C2)cc1	ZINC000852450120	GG	On-Demand	Clean	MTNR1B	20	45
COc1ccc(N2CC[C@H](NC(=O)N3CCc4cccc(OC)c4C3)C2)cc1	ZINC000852450120	GG	On-Demand	Clean	SSTR1	57	39
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4cccnc4)C3)C2)cc1	ZINC000852450126	FF	On-Demand	Clean	C3AR1	37	45
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4cccnc4)C3)C2)cc1	ZINC000852450126	FF	On-Demand	Clean	EPHX2	18	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4cccnc4)C3)C2)cc1	ZINC000852450126	FF	On-Demand	Clean	NPBWR1	45	30
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4cccnc4)C3)C2)cc1	ZINC000852450128	FF	On-Demand	Clean	C3AR1	37	45
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4cccnc4)C3)C2)cc1	ZINC000852450128	FF	On-Demand	Clean	EPHX2	18	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4cccnc4)C3)C2)cc1	ZINC000852450128	FF	On-Demand	Clean	NPBWR1	45	30
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccc(OC)cc4C3)C2)cc1	ZINC000852450140	FG	On-Demand	Clean	MTNR1A	22	50
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccc(OC)cc4C3)C2)cc1	ZINC000852450140	FG	On-Demand	Clean	MTNR1B	24	50
COc1ccc(N2CC[C@H](NC(=O)N3CC(NC(C)=O)C3)C2)cc1	ZINC000852450153	EC	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CC(NC(C)=O)C3)C2)cc1	ZINC000852450153	EC	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@]3(C)CC3(F)F)C2)cc1	ZINC000852450172	FG	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NCC[C@]3(C)CC3(F)F)C2)cc1	ZINC000852450173	FG	On-Demand	Clean	MTNR1A	15	44
CC(C)(C)OC(=O)N1CC(N(C[C@H](O)c2ccc(C#N)cc2)C2CCC2)C1	ZINC000852450183	FG	On-Demand	Mild	GPR119	20	41
CC(C)(C)OC(=O)N1CC(N(C[C@@H](O)c2ccc(C#N)cc2)C2CCC2)C1	ZINC000852450184	FG	On-Demand	Mild	GPR119	20	41
CN(C)C(=O)O[C@@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450186	ED	On-Demand	Mild	GPBAR1	37	44
N#Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1	ZINC000852450187	FC	On-Demand	Reactive	GPBAR1	34	42
N#Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1	ZINC000852450188	FC	On-Demand	Reactive	GPBAR1	34	42
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CC[C@@H](C4)C3)C2)cc1	ZINC000852450205	EF	On-Demand	Clean	MTNR1B	15	47
C#C[C@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450208	CE	On-Demand	Mild	GPBAR1	36	47
C#C[C@@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450209	CE	On-Demand	Mild	GPBAR1	36	47
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(CC4CC4)CC3)C2)cc1	ZINC000852450216	GF	On-Demand	Clean	SIGMAR1	17	51
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(CC4CC4)CC3)C2)cc1	ZINC000852450216	GF	On-Demand	Clean	CCR3	36	41
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(CC4CC4)CC3)C2)cc1	ZINC000852450216	GF	On-Demand	Clean	PDK1	41	42
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(CC4CC4)CC3)C2)cc1	ZINC000852450216	GF	On-Demand	Clean	MCHR1	16	42
COc1ccc(N2CC[C@H](NC(=O)NCC3CCN(CC4CC4)CC3)C2)cc1	ZINC000852450216	GF	On-Demand	Clean	CACNA1I	50	34
COCc1csc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852450226	GF	On-Demand	Clean	NPBWR1	43	30
COCc1csc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852450227	GF	On-Demand	Clean	NPBWR1	43	30
CC(C)(C)OC(=O)N1CC(N(Cc2ccncc2C#N)C2CCC2)C1	ZINC000852450229	EF	On-Demand	Mild	GPR119	42	53
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450233	GF	On-Demand	Clean	CHRM2	37	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450233	GF	On-Demand	Clean	CHRM4	19	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450233	GF	On-Demand	Clean	HRH3	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450233	GF	On-Demand	Clean	CCR4	26	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450233	GF	On-Demand	Clean	SLC6A5	19	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450235	GF	On-Demand	Clean	CHRM2	37	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450235	GF	On-Demand	Clean	CHRM4	19	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450235	GF	On-Demand	Clean	HRH3	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450235	GF	On-Demand	Clean	CCR4	26	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CCCCC4)C3)C2)cc1	ZINC000852450235	GF	On-Demand	Clean	SLC6A5	19	41
Cc1cc(O)nc(CN(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)n1	ZINC000852450242	EE	On-Demand	Anodyne	GPR119	23	40
CC(C)(C)OC(=O)N1CC(N(Cc2ncccn2)C2CCC2)C1	ZINC000852450243	DE	On-Demand	Anodyne	GPR119	45	47
N#Cc1ccc(CCNC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1	ZINC000852450244	ED	On-Demand	Mild	GPBAR1	33	42
N#Cc1ccc(CCNC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1	ZINC000852450245	ED	On-Demand	Mild	GPBAR1	33	42
N#Cc1ccc(CCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450246	GG	On-Demand	Mild	CTSK	24	40
N#Cc1ccc(CCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450246	GG	On-Demand	Mild	CTSL	15	40
N#Cc1ccc(CCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450246	GG	On-Demand	Mild	DPP4	21	42
N#Cc1ccc(CCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450246	GG	On-Demand	Mild	LGMN	42	31
N#Cc1ccc(CCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450246	GG	On-Demand	Mild	FAAH	16	40
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450247	GG	On-Demand	Mild	CTSK	24	40
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450247	GG	On-Demand	Mild	CTSL	15	40
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450247	GG	On-Demand	Mild	DPP4	21	42
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450247	GG	On-Demand	Mild	LGMN	42	31
N#Cc1ccc(CCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1	ZINC000852450247	GG	On-Demand	Mild	FAAH	16	40
COc1ccc(N2CC[C@H](NC(=O)NC3CC(C)(C)C3)C2)cc1	ZINC000852450255	DF	On-Demand	Clean	EPHX2	25	43
Cc1cnc(CN(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)nc1	ZINC000852450266	EF	On-Demand	Anodyne	GPR119	40	39
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N(C)C(=O)N(C)C)C3)C2)cc1	ZINC000852450272	GD	On-Demand	Clean	MCHR1	25	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N(C)C(=O)N(C)C)C3)C2)cc1	ZINC000852450274	GD	On-Demand	Clean	MCHR1	25	42
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852450362	FF	On-Demand	Mild	GPBAR1	31	40
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852450364	FF	On-Demand	Mild	GPBAR1	31	40
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCc1ccc(C#N)cc1	ZINC000852450365	FF	On-Demand	Mild	GPBAR1	31	40
CC(C)(C)OC(=O)N1CC(N(CC(=O)Nc2c(F)cccc2F)C2CCC2)C1	ZINC000852450367	GG	On-Demand	Anodyne	GPR119	31	43
COc1ccc(N2CC[C@H](NC(=O)NCC3=CCCC3)C2)cc1	ZINC000852450393	DF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCC3=CCCC3)C2)cc1	ZINC000852450393	DF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](CCF)C3)C2)cc1	ZINC000852450405	EG	On-Demand	Clean	CCR3	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](CCF)C3)C2)cc1	ZINC000852450405	EG	On-Demand	Clean	NPBWR1	42	30
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](CCF)C3)C2)cc1	ZINC000852450406	EG	On-Demand	Clean	CCR3	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](CCF)C3)C2)cc1	ZINC000852450406	EG	On-Demand	Clean	NPBWR1	42	30
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C3CCCC3)C2)cc1	ZINC000852450410	FF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](OC)C3CCCC3)C2)cc1	ZINC000852450410	FF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C3CCCC3)C2)cc1	ZINC000852450411	FF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](OC)C3CCCC3)C2)cc1	ZINC000852450411	FF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cscn3)C2)cc1	ZINC000852450415	EF	On-Demand	Clean	NPBWR1	49	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cscn3)C2)cc1	ZINC000852450417	EF	On-Demand	Clean	NPBWR1	49	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3OC)C2)cc1	ZINC000852450418	GG	On-Demand	Clean	EPHX2	18	51
COc1ccc(N2CC[C@H](NC(=O)NCCOCCF)C2)cc1	ZINC000852450438	ED	On-Demand	Clean	MTNR1A	15	45
N#Cc1ccc(CCNC(=O)NC2CCC(N3CCCCC3)CC2)cc1	ZINC000852450441	FG	On-Demand	Mild	GPBAR1	33	43
N#Cc1ccc(CCNC(=O)NC2CCC(N3CCCCC3)CC2)cc1	ZINC000852450441	FG	On-Demand	Mild	L3MBTL3	85	36
N#Cc1ccc(CCNC(=O)N2CCC(N3CCOC3=O)CC2)cc1	ZINC000852450443	ED	On-Demand	Mild	GPBAR1	31	42
CC(C)(C)OC(=O)N1CC(N(Cc2ccc(S(C)(=O)=O)cc2)C2CCC2)C1	ZINC000852450445	GG	On-Demand	Anodyne	GPR119	67	52
COc1ccc(N2CC[C@H](NC(=O)N3CCc4cc(OC)ccc4C3)C2)cc1	ZINC000852450451	GG	On-Demand	Clean	MTNR1A	20	48
COc1ccc(N2CC[C@H](NC(=O)N3CCc4cc(OC)ccc4C3)C2)cc1	ZINC000852450451	GG	On-Demand	Clean	MTNR1B	22	48
COC(=O)N(C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450462	FD	On-Demand	Clean	MTNR1A	15	45
COC(=O)N(C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450463	FD	On-Demand	Clean	MTNR1A	15	45
C=CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450467	CE	On-Demand	Mild	MTNR1A	17	47
C=CCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450467	CE	On-Demand	Mild	MCHR1	15	47
C=CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450468	CE	On-Demand	Mild	MTNR1A	17	47
C=CCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450468	CE	On-Demand	Mild	MCHR1	15	47
CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450470	GE	On-Demand	Mild	GPR119	18	45
CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450471	GE	On-Demand	Mild	GPR119	18	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccoc3)C2)cc1	ZINC000852450487	EE	On-Demand	Clean	MTNR1A	30	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccoc3)C2)cc1	ZINC000852450487	EE	On-Demand	Clean	MTNR1B	19	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C#N)cc3)C2)cc1	ZINC000852450494	FF	On-Demand	Mild	CTSK	25	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C#N)cc3)C2)cc1	ZINC000852450494	FF	On-Demand	Mild	CTSL	18	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C#N)cc3)C2)cc1	ZINC000852450494	FF	On-Demand	Mild	MTNR1A	19	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C#N)cc3)C2)cc1	ZINC000852450494	FF	On-Demand	Mild	MCHR1	16	51
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(C#N)cc3)C2)cc1	ZINC000852450494	FF	On-Demand	Mild	GPBAR1	37	41
CC(C)(C)OC(=O)N1CC(N(C[C@H](O)c2ccc(F)cn2)C2CCC2)C1	ZINC000852450499	FF	On-Demand	Anodyne	GPR119	41	37
CC(C)(C)OC(=O)N1CC(N(C[C@@H](O)c2ccc(F)cn2)C2CCC2)C1	ZINC000852450500	FF	On-Demand	Anodyne	GPR119	41	37
CC(C)(C)OC(=O)N1CC(N(Cc2ccc(F)cn2)C2CCC2)C1	ZINC000852450506	EG	On-Demand	Anodyne	GPR119	45	37
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CN3CCC(C)CC3)C2)cc1	ZINC000852450509	FF	On-Demand	Clean	EBP	27	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CN3CCC(C)CC3)C2)cc1	ZINC000852450511	FF	On-Demand	Clean	EBP	27	41
CCSC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852450515	EF	On-Demand	Clean	MTNR1A	17	47
CCSC1(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852450515	EF	On-Demand	Clean	MTNR1B	18	47
CCSC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852450516	EF	On-Demand	Clean	MTNR1A	17	47
CCSC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852450516	EF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC3(C)C)C2)cc1	ZINC000852450526	EE	On-Demand	Clean	MTNR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC3(C)C)C2)cc1	ZINC000852450526	EE	On-Demand	Clean	MTNR1B	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC3(C)C)C2)cc1	ZINC000852450527	EE	On-Demand	Clean	MTNR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC3(C)C)C2)cc1	ZINC000852450527	EE	On-Demand	Clean	MTNR1B	17	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	HTR1A	20	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	DRD2	31	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	DRD4	35	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	ADRA1D	18	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	ADRA1A	15	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	ADRA1B	15	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	SIGMAR1	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	SOAT1	21	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3OC)C2)cc1	ZINC000852450532	GE	On-Demand	Clean	MCHR1	15	41
CC(C)(C)OC(=O)N1CC(N(CC(=O)Nc2cccnc2Cl)C2CCC2)C1	ZINC000852450534	GG	On-Demand	Anodyne	G2YM83_BOTF4	59	35
CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)NCCc3ccc(C#N)cc3)[C@@H]2C1	ZINC000852450560	GF	On-Demand	Mild	GPR119	28	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3COC4(CCC4)C3)C2)cc1	ZINC000852450562	EE	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3COC4(CCC4)C3)C2)cc1	ZINC000852450562	EE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3COC4(CCC4)C3)C2)cc1	ZINC000852450564	EE	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3COC4(CCC4)C3)C2)cc1	ZINC000852450564	EE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3C[C@]45CCCC[C@]4(COC5)C3)C2)cc1	ZINC000852450573	GF	On-Demand	Clean	NPBWR1	43	30
COc1ccc(N2CC[C@H](NC(=O)N3C[C@]45CCCC[C@@]4(COC5)C3)C2)cc1	ZINC000852450574	GF	On-Demand	Clean	NPBWR1	43	30
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@]45CCCC[C@]4(COC5)C3)C2)cc1	ZINC000852450575	GF	On-Demand	Clean	NPBWR1	43	30
CC(C)(C)OC(=O)N1CC(N(Cc2ccc(C#N)cn2)C2CCC2)C1	ZINC000852450583	EF	On-Demand	Mild	GPR119	38	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852450586	GF	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852450586	GF	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852450587	GF	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852450587	GF	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)[C@H](C)c3ccccc3)C2)cc1	ZINC000852450588	GF	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)[C@H](C)c3ccccc3)C2)cc1	ZINC000852450588	GF	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)[C@H](C)c3ccccc3)C2)cc1	ZINC000852450589	GF	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)[C@H](C)c3ccccc3)C2)cc1	ZINC000852450589	GF	On-Demand	Clean	MTNR1B	16	45
N#Cc1ccc(CCNC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1	ZINC000852450591	CE	On-Demand	Mild	GPBAR1	32	41
N#Cc1ccc(CCNC(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc1	ZINC000852450592	CE	On-Demand	Mild	GPBAR1	32	41
N#Cc1ccc(CCNC(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1	ZINC000852450593	CE	On-Demand	Mild	GPBAR1	32	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4C[C@H]4C3)C2)cc1	ZINC000852450606	DE	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4C[C@H]4C3)C2)cc1	ZINC000852450606	DE	On-Demand	Clean	EPHX2	22	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4C[C@@H]4C3)C2)cc1	ZINC000852450607	DE	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4C[C@@H]4C3)C2)cc1	ZINC000852450607	DE	On-Demand	Clean	EPHX2	22	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4C[C@H]4C3)C2)cc1	ZINC000852450608	DE	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4C[C@H]4C3)C2)cc1	ZINC000852450608	DE	On-Demand	Clean	EPHX2	22	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4C[C@@H]4C3)C2)cc1	ZINC000852450609	DE	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4C[C@@H]4C3)C2)cc1	ZINC000852450609	DE	On-Demand	Clean	EPHX2	22	44
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1	ZINC000852450618	GG	On-Demand	Mild	CTSK	22	41
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1	ZINC000852450618	GG	On-Demand	Mild	MLNR	21	42
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1	ZINC000852450618	GG	On-Demand	Mild	EPHX2	15	52
N#Cc1ccc(CCNC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)cc1	ZINC000852450618	GG	On-Demand	Mild	GPBAR1	33	40
CC(C)(C)OC(=O)N1CC(N(Cc2ccnc(C#N)c2)C2CCC2)C1	ZINC000852450626	EF	On-Demand	Mild	GPR119	33	44
CN(C)C(=O)OC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852450629	ED	On-Demand	Mild	MLNR	22	42
CN(C)C(=O)OC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852450629	ED	On-Demand	Mild	EPHX2	15	44
CN(C)C(=O)OC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852450629	ED	On-Demand	Mild	GPBAR1	35	43
N#Cc1ccc(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450630	FF	On-Demand	Mild	MME	42	35
N#Cc1ccc(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450630	FF	On-Demand	Mild	PAPA1_CARPA	41	35
N#Cc1ccc(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450630	FF	On-Demand	Mild	CTSC	41	39
N#Cc1ccc(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450630	FF	On-Demand	Mild	CTRB_BOVIN	55	40
N#Cc1ccc(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450630	FF	On-Demand	Mild	AMP1_PLAFQ	31	42
N#Cc1ccc(CCNC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450630	FF	On-Demand	Mild	NPFFR1	56	32
N#Cc1ccc(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450631	FF	On-Demand	Mild	MME	42	35
N#Cc1ccc(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450631	FF	On-Demand	Mild	PAPA1_CARPA	41	35
N#Cc1ccc(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450631	FF	On-Demand	Mild	CTSC	41	39
N#Cc1ccc(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450631	FF	On-Demand	Mild	CTRB_BOVIN	55	40
N#Cc1ccc(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450631	FF	On-Demand	Mild	AMP1_PLAFQ	31	42
N#Cc1ccc(CCNC(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1	ZINC000852450631	FF	On-Demand	Mild	NPFFR1	56	32
COc1ccc(N2CC[C@H](NC(=O)NCc3cnccc3C(F)(F)F)C2)cc1	ZINC000852450632	GG	On-Demand	Clean	EPHX2	35	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCOCC4)C3)C2)cc1	ZINC000852450639	FD	On-Demand	Clean	CHRM2	46	38
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCOCC4)C3)C2)cc1	ZINC000852450639	FD	On-Demand	Clean	MTNR1B	16	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCOCC4)C3)C2)cc1	ZINC000852450639	FD	On-Demand	Clean	MMP3	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCOCC4)C3)C2)cc1	ZINC000852450639	FD	On-Demand	Clean	L3MBTL3	44	38
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCOCC4)C3)C2)cc1	ZINC000852450641	FD	On-Demand	Clean	CHRM2	46	38
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCOCC4)C3)C2)cc1	ZINC000852450641	FD	On-Demand	Clean	MTNR1B	16	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCOCC4)C3)C2)cc1	ZINC000852450641	FD	On-Demand	Clean	MMP3	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCOCC4)C3)C2)cc1	ZINC000852450641	FD	On-Demand	Clean	L3MBTL3	44	38
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C(C)(C)C3(F)F)C2)cc1	ZINC000852450644	FF	On-Demand	Clean	MTNR1A	21	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C(C)(C)C3(F)F)C2)cc1	ZINC000852450644	FF	On-Demand	Clean	MTNR1B	20	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C(C)(C)C3(F)F)C2)cc1	ZINC000852450645	FF	On-Demand	Clean	MTNR1A	21	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C(C)(C)C3(F)F)C2)cc1	ZINC000852450645	FF	On-Demand	Clean	MTNR1B	20	46
COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)F)C2)cc1	ZINC000852450647	DF	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)F)C2)cc1	ZINC000852450647	DF	On-Demand	Clean	EPHX2	40	39
COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)F)C2)cc1	ZINC000852450647	DF	On-Demand	Clean	MCHR1	15	46
COc1ccc(N2CC[C@H](NC(=O)NCC3(C#N)CCCCC3)C2)cc1	ZINC000852450648	FG	On-Demand	Mild	CTSK	21	41
C#CC[C@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450650	CF	On-Demand	Mild	GPBAR1	36	47
C#CC[C@@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450651	CF	On-Demand	Mild	GPBAR1	36	47
CC(C)(C)OC(=O)N1CC(N(CCn2cc([N+](=O)[O-])ccc2=O)C2CCC2)C1	ZINC000852450652	GE	On-Demand	Bother	SLC27A4	48	32
CC[C@@H](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450672	DG	On-Demand	Clean	MTNR1A	23	48
CC[C@@H](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450672	DG	On-Demand	Clean	MTNR1B	18	48
CC[C@@H](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450674	DG	On-Demand	Clean	MTNR1A	23	48
CC[C@@H](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450674	DG	On-Demand	Clean	MTNR1B	18	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(OC)c3C)C2)cc1	ZINC000852450691	FG	On-Demand	Clean	MTNR1A	23	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(OC)c3C)C2)cc1	ZINC000852450691	FG	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc(OC)c3C)C2)cc1	ZINC000852450691	FG	On-Demand	Clean	MCHR1	17	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3cnccc3C)C2)cc1	ZINC000852450707	FF	On-Demand	Clean	MTNR1A	26	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3cnccc3C)C2)cc1	ZINC000852450707	FF	On-Demand	Clean	MTNR1B	16	43
CC(C)(C)OC(=O)N1CC(N(Cc2ccncc2F)C2CCC2)C1	ZINC000852450718	EG	On-Demand	Anodyne	GPR119	42	50
CN(C[C@@](C)(O)c1ccccc1)C(=O)NCCc1ccc(C#N)cc1	ZINC000852450731	EF	On-Demand	Mild	CTRB_BOVIN	47	38
CC(C)(C)OC(=O)N1CC(N(Cc2ccnc(N)c2)C2CCC2)C1	ZINC000852450732	EF	On-Demand	Anodyne	GPR119	46	38
N#Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1	ZINC000852450740	FC	On-Demand	Reactive	GPBAR1	32	44
COc1ccc(N2CC[C@H](NC(=O)N(C)CC3CN(C)C3)C2)cc1	ZINC000852450745	ED	On-Demand	Clean	MCHR1	18	42
COCCN(CCF)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852450749	ED	On-Demand	Clean	MCHR1	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)cc1	ZINC000852450751	EF	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)cc1	ZINC000852450751	EF	On-Demand	Clean	MTNR1B	17	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)cc1	ZINC000852450751	EF	On-Demand	Clean	EPHX2	24	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CC3(F)F)C2)cc1	ZINC000852450752	EF	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CC3(F)F)C2)cc1	ZINC000852450752	EF	On-Demand	Clean	MTNR1B	17	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(C)CC3(F)F)C2)cc1	ZINC000852450752	EF	On-Demand	Clean	EPHX2	24	44
CC(C)(C)OC(=O)N1CC(N(C[C@H]2CCN(S(C)(=O)=O)C2)C2CCC2)C1	ZINC000852450759	GD	On-Demand	Anodyne	GPR119	29	43
CC(C)(C)OC(=O)N1CC(N(C[C@@H]2CCN(S(C)(=O)=O)C2)C2CCC2)C1	ZINC000852450760	GD	On-Demand	Anodyne	GPR119	29	43
Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852450775	GH	On-Demand	Mild	GPBAR1	30	40
Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852450776	GH	On-Demand	Mild	GPBAR1	30	40
C[C@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	ZINC000852450781	GF	On-Demand	Mild	GPBAR1	33	42
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450788	ED	On-Demand	Mild	MLNR	21	42
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450788	ED	On-Demand	Mild	GPBAR1	36	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccc(F)cc3F)C2)cc1	ZINC000852450790	GF	On-Demand	Clean	CCR3	32	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccc(F)cc3F)C2)cc1	ZINC000852450790	GF	On-Demand	Clean	MCHR1	16	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccc(F)cc3F)C2)cc1	ZINC000852450792	GF	On-Demand	Clean	CCR3	32	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccc(F)cc3F)C2)cc1	ZINC000852450792	GF	On-Demand	Clean	MCHR1	16	41
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450794	GF	On-Demand	Mild	ADRA1A	24	41
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCCc2ccc(C#N)cc2)C1	ZINC000852450794	GF	On-Demand	Mild	SLC12A5	28	41
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)N3CCCC3)C2)cc1	ZINC000852450796	FD	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)N(C)CC(=O)N3CCCC3)C2)cc1	ZINC000852450796	FD	On-Demand	Clean	MCHR1	15	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3cncc(C)n3)C2)cc1	ZINC000852450798	FD	On-Demand	Clean	MTNR1A	15	42
N#Cc1ccc(CCNC(=O)NNC(=O)[C@@H]2CCCCO2)cc1	ZINC000852450808	DD	On-Demand	Reactive	GPBAR1	30	41
N#Cc1ccc(CCNC(=O)NNC(=O)[C@H]2CCCCO2)cc1	ZINC000852450809	DD	On-Demand	Reactive	GPBAR1	30	41
COc1ccc(N2CC[C@H](NC(=O)NCCCc3ccco3)C2)cc1	ZINC000852450810	EF	On-Demand	Clean	MTNR1A	24	44
COc1ccc(N2CC[C@H](NC(=O)NCCCc3ccco3)C2)cc1	ZINC000852450810	EF	On-Demand	Clean	MTNR1B	21	44
N#Cc1ccc(CCNC(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852450813	GE	On-Demand	Mild	GPBAR1	38	49
N#Cc1ccc(CCNC(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000852450814	GE	On-Demand	Mild	GPBAR1	38	49
CC(C)(C)OC(=O)N1CC(N(CCc2nc(O)c3ccccc3n2)C2CCC2)C1	ZINC000852450815	GG	On-Demand	Anodyne	TNKS	59	33
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CA2	15	40
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	ACE	25	40
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	OPRM1	19	54
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	OPRD1	21	41
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	MME	48	43
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CA1	16	40
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	KLK3	58	34
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CTSB	69	47
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	PAPA1_CARPA	79	42
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CYSP_TRYCR	45	36
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CTSG	19	43
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CTSK	40	47
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CTSL	56	47
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CTRB1	25	43
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CAPNS1	66	45
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CELA2A	17	43
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CTSS	29	42
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CAPN1	82	45
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CASP1	27	40
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CAPN2	119	45
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	ACE2	40	35
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CTSC	36	40
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	CTRB_BOVIN	55	43
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	NPR	84	42
C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)C(=O)OCc1ccccc1	ZINC000852450850	FF	On-Demand	Mild	PSMB5	40	37
COc1ccc(N2CC[C@H](NC(=O)NCC3SCCS3)C2)cc1	ZINC000852450888	FE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NCC3SCCS3)C2)cc1	ZINC000852450888	FE	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)NCC3SCCS3)C2)cc1	ZINC000852450888	FE	On-Demand	Clean	EPHX2	16	42
C[C@@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852450891	GE	On-Demand	Mild	GPBAR1	36	44
COc1ccc(N2CC[C@H](NC(=O)N3CCOC(C4CC4)(C4CC4)C3)C2)cc1	ZINC000852450893	GF	On-Demand	Clean	MTNR1B	16	42
C#CC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852450899	CE	On-Demand	Mild	GPBAR1	35	43
C#CC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1	ZINC000852450899	CE	On-Demand	Mild	KCNJ1	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@]3(C)OC)C2)cc1	ZINC000852450900	DD	On-Demand	Clean	EPHX2	16	43
CC(C)(C)OC(=O)N1CC(N(C[C@H](O)c2ccccn2)C2CCC2)C1	ZINC000852450909	EF	On-Demand	Anodyne	GPR119	37	45
CC(C)(C)OC(=O)N1CC(N(C[C@@H](O)c2ccccn2)C2CCC2)C1	ZINC000852450910	EF	On-Demand	Anodyne	GPR119	37	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3Cc4ccccc4N(C)C3=O)C2)cc1	ZINC000852450912	GE	On-Demand	Clean	PYGL	30	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3Cc4ccccc4N(C)C3=O)C2)cc1	ZINC000852450912	GE	On-Demand	Clean	PYGM	29	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)C2)cc1	ZINC000852450913	GE	On-Demand	Clean	PYGL	30	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)C2)cc1	ZINC000852450913	GE	On-Demand	Clean	PYGM	29	45
CC(C)(C)OC(=O)N1CC(N(CCc2cccnc2)C2CCC2)C1	ZINC000852450915	EG	On-Demand	Anodyne	FKBP1A	19	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)OC)C2)cc1	ZINC000852450918	DD	On-Demand	Clean	MTNR1A	21	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)OC)C2)cc1	ZINC000852450918	DD	On-Demand	Clean	MTNR1B	20	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)OC)C2)cc1	ZINC000852450920	DD	On-Demand	Clean	MTNR1A	21	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)OC)C2)cc1	ZINC000852450920	DD	On-Demand	Clean	MTNR1B	20	48
CC(C)(C)OC(=O)N1CC(N(C[C@@](O)(C(N)=O)c2ccccc2)C2CCC2)C1	ZINC000852450921	GD	On-Demand	Anodyne	AMY2	59	35
CC(C)(C)OC(=O)N1CC(N(C[C@](O)(C(N)=O)c2ccccc2)C2CCC2)C1	ZINC000852450922	GD	On-Demand	Anodyne	AMY2	59	35
N#Cc1ccc(CCNC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1	ZINC000852450928	GE	On-Demand	Mild	GPBAR1	36	45
N#Cc1ccc(CCNC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1	ZINC000852450929	GE	On-Demand	Mild	GPBAR1	36	45
N#Cc1ccc(CCNC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1	ZINC000852450930	GE	On-Demand	Mild	GPBAR1	36	45
N#Cc1ccc(CCNC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1	ZINC000852450931	GE	On-Demand	Mild	GPBAR1	36	45
COc1ccc(N2CC[C@H](NC(=O)NCc3c(OC)cccc3OC)C2)cc1	ZINC000852450932	GF	On-Demand	Clean	MTNR1A	28	51
COc1ccc(N2CC[C@H](NC(=O)NCc3c(OC)cccc3OC)C2)cc1	ZINC000852450932	GF	On-Demand	Clean	MTNR1B	27	51
COc1ccc(N2CC[C@H](NC(=O)NCc3c(OC)cccc3OC)C2)cc1	ZINC000852450932	GF	On-Demand	Clean	EPHX2	15	41
COc1ccc(N2CC[C@H](NC(=O)NCc3c(OC)cccc3OC)C2)cc1	ZINC000852450932	GF	On-Demand	Clean	MCHR1	18	44
COc1ccc([C@@H](O)C2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852450939	GG	On-Demand	Mild	CTSK	24	42
COc1ccc([C@@H](O)C2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852450939	GG	On-Demand	Mild	CTSL	15	42
COc1ccc([C@@H](O)C2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cc1	ZINC000852450939	GG	On-Demand	Mild	GPBAR1	33	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccnc4ccccc34)C2)cc1	ZINC000852450943	GG	On-Demand	Clean	ADAM17	52	37
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccnc4ccccc34)C2)cc1	ZINC000852450943	GG	On-Demand	Clean	MTNR1A	64	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccnc4ccccc34)C2)cc1	ZINC000852450943	GG	On-Demand	Clean	MTNR1B	46	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(n3)CCCC4)C2)cc1	ZINC000852450959	GG	On-Demand	Clean	MTNR1B	15	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(n3)CCCC4)C2)cc1	ZINC000852450959	GG	On-Demand	Clean	NPBWR1	42	30
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4[nH]ccc4c3)C2)cc1	ZINC000852450975	GG	On-Demand	Clean	MTNR1A	33	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4[nH]ccc4c3)C2)cc1	ZINC000852450975	GG	On-Demand	Clean	MTNR1B	25	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc4[nH]ccc4c3)C2)cc1	ZINC000852450975	GG	On-Demand	Clean	MCHR1	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)cc1	ZINC000852451020	GD	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2)cc1	ZINC000852451020	GD	On-Demand	Clean	EPHX2	49	50
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)cc1	ZINC000852451021	GD	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2)cc1	ZINC000852451021	GD	On-Demand	Clean	EPHX2	49	50
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)OC3CCCCC3)C2)cc1	ZINC000852451030	GF	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)NN(C)c3ccccc3)C2)cc1	ZINC000852451038	EF	On-Demand	Reactive	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)NN(C)c3ccccc3)C2)cc1	ZINC000852451038	EF	On-Demand	Reactive	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)NN(C)c3ccccc3)C2)cc1	ZINC000852451038	EF	On-Demand	Reactive	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)NN(C)c3ccccc3)C2)cc1	ZINC000852451038	EF	On-Demand	Reactive	MCHR1	15	43
COc1ccc(N2CC[C@H](NC(=O)NCCS(N)(=O)=O)C2)cc1	ZINC000852451091	EB	On-Demand	Clean	MMP13	46	38
COc1ccc(N2CC[C@H](NC(=O)NCCS(N)(=O)=O)C2)cc1	ZINC000852451091	EB	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)NCCS(N)(=O)=O)C2)cc1	ZINC000852451091	EB	On-Demand	Clean	MMP3	42	38
COc1ccc(N2CC[C@H](NC(=O)NCCS(N)(=O)=O)C2)cc1	ZINC000852451091	EB	On-Demand	Clean	MMP1	43	37
O=C(N1C[C@@H](NC[C@@H](O)c2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852451100	FF	On-Demand	Anodyne	ADRB3	23	43
O=C(N1C[C@H](NC[C@@H](O)c2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852451101	FF	On-Demand	Anodyne	ADRB3	23	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3O)C2)cc1	ZINC000852451147	ED	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3O)C2)cc1	ZINC000852451147	ED	On-Demand	Clean	MTNR1B	16	48
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451166	FC	On-Demand	Clean	MMP13	48	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451166	FC	On-Demand	Clean	MMP3	41	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451166	FC	On-Demand	Clean	MMP9	33	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451166	FC	On-Demand	Clean	MMP7	38	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451166	FC	On-Demand	Clean	MMP1	41	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451167	FC	On-Demand	Clean	MMP13	48	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451167	FC	On-Demand	Clean	MMP3	41	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451167	FC	On-Demand	Clean	MMP9	33	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451167	FC	On-Demand	Clean	MMP7	38	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852451167	FC	On-Demand	Clean	MMP1	41	41
COCCO[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852451170	FD	On-Demand	Clean	EPHX2	22	44
COCCO[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852451171	FD	On-Demand	Clean	EPHX2	22	44
COCCO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852451172	FD	On-Demand	Clean	EPHX2	22	44
COCCO[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852451173	FD	On-Demand	Clean	EPHX2	22	44
CCOC(=O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852451186	ED	On-Demand	Anodyne	TPP2	47	36
CCOC(=O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852451187	ED	On-Demand	Anodyne	TPP2	47	36
COC[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451203	DC	On-Demand	Clean	ADRB3	18	40
COC[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451203	DC	On-Demand	Clean	MTNR1B	15	46
COC[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451204	DC	On-Demand	Clean	ADRB3	18	40
COC[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451204	DC	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CCc3ccccc3)C2)cc1	ZINC000852451220	GF	On-Demand	Clean	ACE	42	34
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CCc3ccccc3)C2)cc1	ZINC000852451220	GF	On-Demand	Clean	DRD4	25	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CCc3ccccc3)C2)cc1	ZINC000852451220	GF	On-Demand	Clean	PTGFR	20	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CCc3ccccc3)C2)cc1	ZINC000852451220	GF	On-Demand	Clean	SIGMAR1	25	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CCc3ccccc3)C2)cc1	ZINC000852451220	GF	On-Demand	Clean	MTNR1A	24	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CCc3ccccc3)C2)cc1	ZINC000852451220	GF	On-Demand	Clean	MTNR1B	22	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)CCc3ccccc3)C2)cc1	ZINC000852451220	GF	On-Demand	Clean	MCHR1	21	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)CCc3ccccc3)C2)cc1	ZINC000852451221	GF	On-Demand	Clean	ACE	42	34
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)CCc3ccccc3)C2)cc1	ZINC000852451221	GF	On-Demand	Clean	DRD4	25	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)CCc3ccccc3)C2)cc1	ZINC000852451221	GF	On-Demand	Clean	PTGFR	20	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)CCc3ccccc3)C2)cc1	ZINC000852451221	GF	On-Demand	Clean	SIGMAR1	25	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)CCc3ccccc3)C2)cc1	ZINC000852451221	GF	On-Demand	Clean	MTNR1A	24	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)CCc3ccccc3)C2)cc1	ZINC000852451221	GF	On-Demand	Clean	MTNR1B	22	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)CCc3ccccc3)C2)cc1	ZINC000852451221	GF	On-Demand	Clean	MCHR1	21	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4ccncc4)CC3)C2)cc1	ZINC000852451240	GG	On-Demand	Clean	EPHX2	21	42
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	HTR1A	27	45
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	DRD2	40	44
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	DRD4	52	42
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	HTR2A	20	43
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	DRD3	66	44
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	P2RY12	47	34
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	CCR3	24	41
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	MTNR1A	22	46
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	MTNR1B	22	46
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	SLC6A5	36	40
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	TGM2	18	40
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	MCHR1	26	49
COc1ccc(N2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2)cc1	ZINC000852451259	GE	On-Demand	Clean	TBK1	17	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccc(F)cc34)C2)cc1	ZINC000852451266	GG	On-Demand	Clean	HTR1A	31	53
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccc(F)cc34)C2)cc1	ZINC000852451266	GG	On-Demand	Clean	HTR1D	92	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccc(F)cc34)C2)cc1	ZINC000852451266	GG	On-Demand	Clean	HTR1B	78	53
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccc(F)cc34)C2)cc1	ZINC000852451266	GG	On-Demand	Clean	SLC6A4	28	48
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccc(F)cc34)C2)cc1	ZINC000852451266	GG	On-Demand	Clean	NQO2	24	49
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccc(F)cc34)C2)cc1	ZINC000852451266	GG	On-Demand	Clean	MPO	92	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccc(F)cc34)C2)cc1	ZINC000852451266	GG	On-Demand	Clean	MTNR1A	54	55
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccc(F)cc34)C2)cc1	ZINC000852451266	GG	On-Demand	Clean	MTNR1B	39	49
O=C(N1C[C@@H](NCCCn2ccnc2)Cc2ccccc21)C(F)(F)F	ZINC000852451270	FE	On-Demand	Anodyne	TBXAS1	29	40
O=C(N1C[C@H](NCCCn2ccnc2)Cc2ccccc21)C(F)(F)F	ZINC000852451271	FE	On-Demand	Anodyne	TBXAS1	29	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cc(C)cc(C)c3)C2)cc1	ZINC000852451272	GF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cc(C)cc(C)c3)C2)cc1	ZINC000852451272	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cc(C)cc(C)c3)C2)cc1	ZINC000852451274	GF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cc(C)cc(C)c3)C2)cc1	ZINC000852451274	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)OC(C)(C)C3)C2)cc1	ZINC000852451296	FF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)OC(C)(C)C3)C2)cc1	ZINC000852451296	FF	On-Demand	Clean	NPBWR1	52	31
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	DRD4	28	42
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	SIGMAR1	28	48
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	MMP13	23	44
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	SLC18A3	16	41
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	MMP3	26	44
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	MMP9	23	44
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	MMP7	23	41
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	MMP1	27	44
COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(Cc4ccccc4)C3)C2)cc1	ZINC000852451303	GE	On-Demand	Clean	MCHR1	19	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4cnccc4C)CC3)C2)cc1	ZINC000852451305	GF	On-Demand	Clean	NPBWR1	49	31
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852451358	GG	On-Demand	Clean	CACNA1D	46	37
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000852451358	GG	On-Demand	Clean	SSTR1	32	42
COc1ccc(N2CC[C@H](NC(=O)N3CCOc4cc(OC)ccc4C3)C2)cc1	ZINC000852451404	GF	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)N3CCOc4cc(OC)ccc4C3)C2)cc1	ZINC000852451404	GF	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)CN3CCCC3)C2)cc1	ZINC000852451444	FF	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)CN3CCCC3)C2)cc1	ZINC000852451444	FF	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451480	GD	On-Demand	Clean	MMP13	19	41
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451480	GD	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451480	GD	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451480	GD	On-Demand	Clean	MMP1	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451480	GD	On-Demand	Clean	NPBWR1	69	32
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccc(F)cc3)C2)cc1	ZINC000852451488	GE	On-Demand	Clean	CCR3	51	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccc(F)cc3)C2)cc1	ZINC000852451488	GE	On-Demand	Clean	MCHR1	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccc(F)cc3)C2)cc1	ZINC000852451489	GE	On-Demand	Clean	CCR3	51	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccc(F)cc3)C2)cc1	ZINC000852451489	GE	On-Demand	Clean	MCHR1	15	43
COC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451490	GG	On-Demand	Clean	SIGMAR1	19	44
COC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451490	GG	On-Demand	Clean	MCHR1	15	41
COC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451491	GG	On-Demand	Clean	SIGMAR1	19	44
COC[C@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451491	GG	On-Demand	Clean	MCHR1	15	41
COC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451492	GG	On-Demand	Clean	SIGMAR1	19	44
COC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451492	GG	On-Demand	Clean	MCHR1	15	41
COC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451493	GG	On-Demand	Clean	SIGMAR1	19	44
COC[C@@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451493	GG	On-Demand	Clean	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(=O)C4CC4)CC3)C2)cc1	ZINC000852451526	GD	On-Demand	Clean	MTNR1A	22	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(=O)C4CC4)CC3)C2)cc1	ZINC000852451526	GD	On-Demand	Clean	MTNR1B	22	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(=O)C4CC4)CC3)C2)cc1	ZINC000852451526	GD	On-Demand	Clean	EPHX2	40	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451534	FE	On-Demand	Clean	ACE	36	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451534	FE	On-Demand	Clean	DRD4	21	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451534	FE	On-Demand	Clean	MME	41	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451534	FE	On-Demand	Clean	SIGMAR1	21	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451534	FE	On-Demand	Clean	EPHX2	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451534	FE	On-Demand	Clean	MCHR1	19	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451535	FE	On-Demand	Clean	ACE	36	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451535	FE	On-Demand	Clean	DRD4	21	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451535	FE	On-Demand	Clean	MME	41	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451535	FE	On-Demand	Clean	SIGMAR1	21	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451535	FE	On-Demand	Clean	EPHX2	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)Cc3ccccc3)C2)cc1	ZINC000852451535	FE	On-Demand	Clean	MCHR1	19	42
COc1ccc(N2CC[C@H](NC(=O)NCCCC(=O)OC(C)C)C2)cc1	ZINC000852451556	FE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NCCCC(=O)OC(C)C)C2)cc1	ZINC000852451556	FE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCCCC(=O)OC(C)C)C2)cc1	ZINC000852451556	FE	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4ccncc4)C3)C2)cc1	ZINC000852451568	GF	On-Demand	Clean	PDE3A	19	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4ccncc4)C3)C2)cc1	ZINC000852451568	GF	On-Demand	Clean	PDE3B	23	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4ccncc4)C3)C2)cc1	ZINC000852451568	GF	On-Demand	Clean	EPHX2	23	47
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc4cc[nH]c34)C2)cc1	ZINC000852451570	FG	On-Demand	Clean	MTNR1A	21	46
COc1ccc(N2CC[C@H](NC(=O)NCc3cccc4cc[nH]c34)C2)cc1	ZINC000852451570	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NNc3ccc(OC)cn3)C2)cc1	ZINC000852451603	FE	On-Demand	Reactive	NPBWR1	69	33
CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451606	GH	On-Demand	Clean	TACR1	22	44
CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451606	GH	On-Demand	Clean	MTNR1A	15	45
CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451606	GH	On-Demand	Clean	GHSR	49	40
CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451607	GH	On-Demand	Clean	TACR1	22	44
CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451607	GH	On-Demand	Clean	MTNR1A	15	45
CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852451607	GH	On-Demand	Clean	GHSR	49	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC3)C2)cc1	ZINC000852451615	CD	On-Demand	Clean	MMP13	28	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC3)C2)cc1	ZINC000852451615	CD	On-Demand	Clean	MTNR1A	17	50
COc1ccc(N2CC[C@H](NC(=O)N3CCC3)C2)cc1	ZINC000852451615	CD	On-Demand	Clean	MTNR1B	20	50
COc1ccc(N2CC[C@H](NC(=O)N3CCC3)C2)cc1	ZINC000852451615	CD	On-Demand	Clean	MMP9	20	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC3)C2)cc1	ZINC000852451615	CD	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)N3CCC3)C2)cc1	ZINC000852451615	CD	On-Demand	Clean	MMP1	27	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc1	ZINC000852451646	FD	On-Demand	Clean	MTNR1A	17	47
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc1	ZINC000852451646	FD	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(C)=O)CC3)C2)cc1	ZINC000852451646	FD	On-Demand	Clean	EPHX2	28	45
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451654	FD	On-Demand	Clean	MMP13	20	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451654	FD	On-Demand	Clean	MTNR1A	18	47
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451654	FD	On-Demand	Clean	MTNR1B	21	47
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451654	FD	On-Demand	Clean	MMP3	17	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451654	FD	On-Demand	Clean	SSTR1	50	36
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451654	FD	On-Demand	Clean	EPHX2	19	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451654	FD	On-Demand	Clean	MMP1	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1	ZINC000852451654	FD	On-Demand	Clean	NPBWR1	70	33
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)c(F)c3)C2)cc1	ZINC000852451660	GG	On-Demand	Clean	MCHR1	21	42
COc1ccc(N2CC[C@H](NC(=O)NNc3ccc(C)cn3)C2)cc1	ZINC000852451662	EE	On-Demand	Reactive	NPBWR1	40	36
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCOc3ccccc3)C2)cc1	ZINC000852451671	GG	On-Demand	Clean	LTA4H	41	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCOc3ccccc3)C2)cc1	ZINC000852451671	GG	On-Demand	Clean	HRH3	22	42
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCOc3ccccc3)C2)cc1	ZINC000852451671	GG	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCOc3ccccc3)C2)cc1	ZINC000852451671	GG	On-Demand	Clean	MTNR1B	16	48
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCOc3ccccc3)C2)cc1	ZINC000852451671	GG	On-Demand	Clean	MCHR1	19	42
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451672	GE	On-Demand	Mild	DRD4	40	33
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451672	GE	On-Demand	Mild	MTNR1A	20	47
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451672	GE	On-Demand	Mild	MTNR1B	24	47
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451672	GE	On-Demand	Mild	MCHR1	24	40
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451673	GE	On-Demand	Mild	DRD4	40	33
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451673	GE	On-Demand	Mild	MTNR1A	20	47
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451673	GE	On-Demand	Mild	MTNR1B	24	47
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451673	GE	On-Demand	Mild	MCHR1	24	40
O=C(N1C[C@@H](NC[C@@H](O)c2ccc(F)cc2)Cc2ccccc21)C(F)(F)F	ZINC000852451688	GF	On-Demand	Anodyne	ADRB3	16	41
O=C(N1C[C@H](NC[C@@H](O)c2ccc(F)cc2)Cc2ccccc21)C(F)(F)F	ZINC000852451689	GF	On-Demand	Anodyne	ADRB3	16	41
O=C(N1C[C@@H](NC[C@H](O)c2ccc(F)cc2)Cc2ccccc21)C(F)(F)F	ZINC000852451690	GF	On-Demand	Anodyne	ADRB3	16	41
O=C(N1C[C@H](NC[C@H](O)c2ccc(F)cc2)Cc2ccccc21)C(F)(F)F	ZINC000852451691	GF	On-Demand	Anodyne	ADRB3	16	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C(C)C)CC3)C2)cc1	ZINC000852451694	FD	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C(C)C)CC3)C2)cc1	ZINC000852451694	FD	On-Demand	Clean	EPHX2	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C(C)C)CC3)C2)cc1	ZINC000852451694	FD	On-Demand	Clean	NPBWR1	40	31
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4cnccn4)CC3)C2)cc1	ZINC000852451700	GD	On-Demand	Clean	NPBWR1	49	35
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	HTR1A	19	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	DRD2	15	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	HTR1D	56	39
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	HTR1B	47	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	DRD3	16	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	TACR1	21	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	NQO2	24	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	CCKAR	44	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	NMBR	53	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	MC5R	29	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	MTNR1A	65	51
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	MTNR1B	50	45
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	CCKBR	47	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852451702	GG	On-Demand	Clean	GHSR	54	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3F)C2)cc1	ZINC000852451705	FE	On-Demand	Clean	SIGMAR1	15	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3F)C2)cc1	ZINC000852451707	FE	On-Demand	Clean	SIGMAR1	15	42
O=C1CCCN1CCCN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852451708	FE	On-Demand	Anodyne	TYRO3	18	47
O=C1CCCN1CCCN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852451709	FE	On-Demand	Anodyne	TYRO3	18	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN4CCC[C@H]4C3)C2)cc1	ZINC000852451712	FE	On-Demand	Clean	HRH3	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN4CCC[C@H]4C3)C2)cc1	ZINC000852451713	FE	On-Demand	Clean	HRH3	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN4CCC[C@@H]4C3)C2)cc1	ZINC000852451714	FE	On-Demand	Clean	HRH3	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN4CCC[C@@H]4C3)C2)cc1	ZINC000852451715	FE	On-Demand	Clean	HRH3	20	40
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3ccccc3)C2)cc1	ZINC000852451722	FH	On-Demand	Clean	OPRK1	16	43
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3ccccc3)C2)cc1	ZINC000852451722	FH	On-Demand	Clean	EDNRB	34	41
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3ccccc3)C2)cc1	ZINC000852451722	FH	On-Demand	Clean	EDNRA	28	42
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3ccccc3)C2)cc1	ZINC000852451722	FH	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3ccccc3)C2)cc1	ZINC000852451722	FH	On-Demand	Clean	MCHR1	15	44
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852451725	FH	On-Demand	Clean	OPRK1	16	43
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852451725	FH	On-Demand	Clean	EDNRB	34	41
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852451725	FH	On-Demand	Clean	EDNRA	28	42
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852451725	FH	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852451725	FH	On-Demand	Clean	MCHR1	15	44
CCC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451736	GG	On-Demand	Clean	MTNR1A	40	51
CCC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451736	GG	On-Demand	Clean	MTNR1B	43	51
CCC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451736	GG	On-Demand	Clean	EPHX2	27	44
CCC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451736	GG	On-Demand	Clean	MCHR1	29	45
CCC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451737	GG	On-Demand	Clean	MTNR1A	40	51
CCC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451737	GG	On-Demand	Clean	MTNR1B	43	51
CCC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451737	GG	On-Demand	Clean	EPHX2	27	44
CCC(=O)Nc1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852451737	GG	On-Demand	Clean	MCHR1	29	45
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OC4CCCC4)CC3)C2)cc1	ZINC000852451742	GG	On-Demand	Clean	EPHX2	20	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3O)C2)cc1	ZINC000852451760	FE	On-Demand	Clean	CCR3	23	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3O)C2)cc1	ZINC000852451760	FE	On-Demand	Clean	MTNR1A	49	50
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3O)C2)cc1	ZINC000852451760	FE	On-Demand	Clean	MTNR1B	39	50
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3O)C2)cc1	ZINC000852451760	FE	On-Demand	Clean	EPHX2	22	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)cc3O)C2)cc1	ZINC000852451760	FE	On-Demand	Clean	MCHR1	19	46
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCNC(=O)C3CCC3)C2)cc1	ZINC000852451783	GE	On-Demand	Clean	MTNR1A	26	41
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCNC(=O)C3CCC3)C2)cc1	ZINC000852451783	GE	On-Demand	Clean	MTNR1B	24	41
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCNC(=O)C3CCC3)C2)cc1	ZINC000852451783	GE	On-Demand	Clean	IKBKE	46	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCNC(=O)C3CCC3)C2)cc1	ZINC000852451783	GE	On-Demand	Clean	TBK1	56	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc4[nH]ccc34)C2)cc1	ZINC000852451787	GG	On-Demand	Clean	NQO2	36	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc4[nH]ccc34)C2)cc1	ZINC000852451787	GG	On-Demand	Clean	MTNR1A	75	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc4[nH]ccc34)C2)cc1	ZINC000852451787	GG	On-Demand	Clean	MTNR1B	53	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccsc3)C2)cc1	ZINC000852451838	FE	On-Demand	Clean	NPBWR1	72	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccsc3)C2)cc1	ZINC000852451840	FE	On-Demand	Clean	NPBWR1	72	35
CCOC(=O)[C@](C)(O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852451855	FD	On-Demand	Anodyne	TPP2	43	35
CCOC(=O)[C@@](C)(O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852451857	FD	On-Demand	Anodyne	TPP2	43	35
CCOC(=O)[C@](C)(O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852451859	FD	On-Demand	Anodyne	TPP2	43	35
CCOC(=O)[C@@](C)(O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852451860	FD	On-Demand	Anodyne	TPP2	43	35
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4ncccc4c3)C2)cc1	ZINC000852451880	GG	On-Demand	Clean	MCHR1	26	47
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4cc(F)ccc34)C2)cc1	ZINC000852451913	GG	On-Demand	Clean	HTR1D	26	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4cc(F)ccc34)C2)cc1	ZINC000852451913	GG	On-Demand	Clean	HTR1B	22	46
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4cc(F)ccc34)C2)cc1	ZINC000852451913	GG	On-Demand	Clean	NQO2	21	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4cc(F)ccc34)C2)cc1	ZINC000852451913	GG	On-Demand	Clean	MPO	53	37
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4cc(F)ccc34)C2)cc1	ZINC000852451913	GG	On-Demand	Clean	MTNR1A	47	48
COc1ccc(N2CC[C@H](NC(=O)NCCc3c[nH]c4cc(F)ccc34)C2)cc1	ZINC000852451913	GG	On-Demand	Clean	MTNR1B	32	43
COc1ccc(N2CC[C@H](NC(=O)N3CCCC3(C)C)C2)cc1	ZINC000852451917	DF	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCOCc3ccccc3)C2)cc1	ZINC000852451919	GH	On-Demand	Clean	SIGMAR1	17	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCOCc3ccccc3)C2)cc1	ZINC000852451919	GH	On-Demand	Clean	MCHR1	18	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(CCN(C)C)cc3)C2)cc1	ZINC000852451933	GF	On-Demand	Clean	MCHR1	20	52
COc1ccc(N2CC[C@H](NC(=O)N3CCC(F)(F)CC3)C2)cc1	ZINC000852451970	EF	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)N3CCC(F)(F)CC3)C2)cc1	ZINC000852451970	EF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4ccsc4)CC3)C2)cc1	ZINC000852451972	GH	On-Demand	Clean	NPBWR1	97	39
COc1ccc(N2CC[C@H](NC(=O)NC3CCC4(CC3)CC4)C2)cc1	ZINC000852452005	EG	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)NC3CCC4(CC3)CC4)C2)cc1	ZINC000852452005	EG	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)NC3CCC4(CC3)CC4)C2)cc1	ZINC000852452005	EG	On-Demand	Clean	EPHX2	34	46
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Oc4ccccn4)C3)C2)cc1	ZINC000852452026	GF	On-Demand	Clean	PDE3A	38	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Oc4ccccn4)C3)C2)cc1	ZINC000852452026	GF	On-Demand	Clean	DCK	47	37
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Oc4ccccn4)C3)C2)cc1	ZINC000852452026	GF	On-Demand	Clean	PDE3B	44	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Oc4ccccn4)C3)C2)cc1	ZINC000852452026	GF	On-Demand	Clean	EPHX2	20	50
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4ccccn4)C3)C2)cc1	ZINC000852452027	GF	On-Demand	Clean	PDE3A	38	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4ccccn4)C3)C2)cc1	ZINC000852452027	GF	On-Demand	Clean	DCK	47	37
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4ccccn4)C3)C2)cc1	ZINC000852452027	GF	On-Demand	Clean	PDE3B	44	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4ccccn4)C3)C2)cc1	ZINC000852452027	GF	On-Demand	Clean	EPHX2	20	50
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4ccc(C)nc4)CC3)C2)cc1	ZINC000852452029	GH	On-Demand	Clean	EPHX2	16	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)C2)cc1	ZINC000852452037	GF	On-Demand	Clean	NPBWR1	47	34
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)C2)cc1	ZINC000852452039	GF	On-Demand	Clean	NPBWR1	47	34
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4cc(C)ccn4)CC3)C2)cc1	ZINC000852452044	GF	On-Demand	Clean	NPBWR1	45	35
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3C)C2)cc1	ZINC000852452045	FF	On-Demand	Clean	DRD4	21	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3C)C2)cc1	ZINC000852452045	FF	On-Demand	Clean	SIGMAR1	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3C)C2)cc1	ZINC000852452045	FF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3C)C2)cc1	ZINC000852452045	FF	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3C)C2)cc1	ZINC000852452046	FF	On-Demand	Clean	DRD4	21	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3C)C2)cc1	ZINC000852452046	FF	On-Demand	Clean	SIGMAR1	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3C)C2)cc1	ZINC000852452046	FF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3C)C2)cc1	ZINC000852452046	FF	On-Demand	Clean	MCHR1	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]3c3cccc(F)c3)C2)cc1	ZINC000852452051	FH	On-Demand	Clean	CCR3	28	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]3c3cccc(F)c3)C2)cc1	ZINC000852452052	FH	On-Demand	Clean	CCR3	28	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1	ZINC000852452057	EF	On-Demand	Clean	HRH4	17	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1	ZINC000852452057	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1	ZINC000852452057	EF	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1	ZINC000852452058	EF	On-Demand	Clean	HRH4	17	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1	ZINC000852452058	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1	ZINC000852452058	EF	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)N(C)CCC3CC3)C2)cc1	ZINC000852452075	DF	On-Demand	Clean	MCHR1	15	43
CCCCNC(=O)CCN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852452101	FE	On-Demand	Anodyne	TPP2	23	41
CCCCNC(=O)CCN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852452102	FE	On-Demand	Anodyne	TPP2	23	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(OC)c3)C2)cc1	ZINC000852452103	GE	On-Demand	Clean	DRD4	45	37
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(OC)c3)C2)cc1	ZINC000852452103	GE	On-Demand	Clean	MTNR1A	42	54
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(OC)c3)C2)cc1	ZINC000852452103	GE	On-Demand	Clean	MTNR1B	40	54
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(OC)c3)C2)cc1	ZINC000852452103	GE	On-Demand	Clean	EPHX2	16	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(OC)c3)C2)cc1	ZINC000852452104	GE	On-Demand	Clean	DRD4	45	37
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(OC)c3)C2)cc1	ZINC000852452104	GE	On-Demand	Clean	MTNR1A	42	54
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(OC)c3)C2)cc1	ZINC000852452104	GE	On-Demand	Clean	MTNR1B	40	54
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(OC)c3)C2)cc1	ZINC000852452104	GE	On-Demand	Clean	EPHX2	16	40
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccccc4[C@@H]3C)C2)cc1	ZINC000852452108	FH	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cnc(N(C)C)nc3)C2)cc1	ZINC000852452119	GD	On-Demand	Clean	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4ccccn4)C3)C2)cc1	ZINC000852452312	FF	On-Demand	Clean	EPHX2	21	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4ccccn4)C3)C2)cc1	ZINC000852452313	FF	On-Demand	Clean	EPHX2	21	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4cc(F)c(OC)cc43)C2)cc1	ZINC000852452319	GG	On-Demand	Clean	MTNR1B	16	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4cc(F)c(OC)cc43)C2)cc1	ZINC000852452321	GG	On-Demand	Clean	MTNR1B	16	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Oc4cnccn4)CC3)C2)cc1	ZINC000852452326	GE	On-Demand	Clean	EPHX2	18	54
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852452338	GC	On-Demand	Clean	MMP13	39	42
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852452338	GC	On-Demand	Clean	MMP1	37	42
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852452341	GC	On-Demand	Clean	MMP13	39	42
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](S(N)(=O)=O)C3)C2)cc1	ZINC000852452341	GC	On-Demand	Clean	MMP1	37	42
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CS(N)(=O)=O)CC3)C2)cc1	ZINC000852452362	GC	On-Demand	Clean	MMP13	58	39
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CS(N)(=O)=O)CC3)C2)cc1	ZINC000852452362	GC	On-Demand	Clean	MMP3	50	39
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CS(N)(=O)=O)CC3)C2)cc1	ZINC000852452362	GC	On-Demand	Clean	MMP7	40	39
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CS(N)(=O)=O)CC3)C2)cc1	ZINC000852452362	GC	On-Demand	Clean	MMP1	50	39
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](CC(F)(F)F)C3)C2)cc1	ZINC000852452366	FG	On-Demand	Clean	MCHR1	15	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](CC(F)(F)F)C3)C2)cc1	ZINC000852452367	FG	On-Demand	Clean	MCHR1	15	44
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(OC)cc4CC3)C2)cc1	ZINC000852452374	GG	On-Demand	Clean	DRD5	17	40
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(OC)cc4CC3)C2)cc1	ZINC000852452374	GG	On-Demand	Clean	MTNR1A	23	49
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(OC)cc4CC3)C2)cc1	ZINC000852452374	GG	On-Demand	Clean	MTNR1B	25	49
C[C@@H](N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(N)=O	ZINC000852452387	DC	On-Demand	Anodyne	TPP2	43	31
C[C@H](N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(N)=O	ZINC000852452388	DC	On-Demand	Anodyne	TPP2	43	31
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCC(F)F)C2)cc1	ZINC000852452407	FC	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCC(F)F)C2)cc1	ZINC000852452407	FC	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCOCC4)CC3)C2)cc1	ZINC000852452500	FF	On-Demand	Clean	MMP13	26	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCOCC4)CC3)C2)cc1	ZINC000852452500	FF	On-Demand	Clean	MMP3	21	40
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4cccnn4)CC3)C2)cc1	ZINC000852452512	GE	On-Demand	Clean	EPHX2	19	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ncccc3F)C2)cc1	ZINC000852452521	EE	On-Demand	Clean	MTNR1A	16	46
COc1ccc(N2CC[C@H](NC(=O)N(C)CC3(N(C)C)CCC3)C2)cc1	ZINC000852452530	FE	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)N(C)CC3(N(C)C)CCC3)C2)cc1	ZINC000852452530	FE	On-Demand	Clean	MTNR1B	17	45
O=C(N1C[C@H](NC[C@@H](O)CCc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852452548	GG	On-Demand	Anodyne	ACE	32	40
O=C(N1C[C@H](NC[C@H](O)CCc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852452549	GG	On-Demand	Anodyne	ACE	32	40
O=C(N1C[C@@H](NC[C@@H](O)CCc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852452550	GG	On-Demand	Anodyne	ACE	32	40
O=C(N1C[C@@H](NC[C@H](O)CCc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852452551	GG	On-Demand	Anodyne	ACE	32	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3ccc(C)o3)C2)cc1	ZINC000852452559	FD	On-Demand	Reactive	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)NCC3([C@H](O)C(C)C)CC3)C2)cc1	ZINC000852452564	FE	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NCC3([C@H](O)C(C)C)CC3)C2)cc1	ZINC000852452564	FE	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)NCC3([C@@H](O)C(C)C)CC3)C2)cc1	ZINC000852452569	FE	On-Demand	Clean	MTNR1A	18	45
COc1ccc(N2CC[C@H](NC(=O)NCC3([C@@H](O)C(C)C)CC3)C2)cc1	ZINC000852452569	FE	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccncc3)C2)cc1	ZINC000852452572	FD	On-Demand	Reactive	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccncc4)CC3)C2)cc1	ZINC000852452586	GE	On-Demand	Clean	DRD4	33	45
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccncc4)CC3)C2)cc1	ZINC000852452586	GE	On-Demand	Clean	SIGMAR1	26	48
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccncc4)CC3)C2)cc1	ZINC000852452586	GE	On-Demand	Clean	SSTR5	66	34
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccncc4)CC3)C2)cc1	ZINC000852452586	GE	On-Demand	Clean	CCR3	33	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccncc4)CC3)C2)cc1	ZINC000852452586	GE	On-Demand	Clean	FAAH	21	48
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccncc4)CC3)C2)cc1	ZINC000852452586	GE	On-Demand	Clean	CCR2	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccncc4)CC3)C2)cc1	ZINC000852452586	GE	On-Demand	Clean	PDK1	44	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccncc4)CC3)C2)cc1	ZINC000852452586	GE	On-Demand	Clean	MCHR1	37	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(O)c(F)c3)C2)cc1	ZINC000852452587	FF	On-Demand	Clean	CCR3	28	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(O)c(F)c3)C2)cc1	ZINC000852452587	FF	On-Demand	Clean	MCHR1	19	48
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OCC4CC4)CC3)C2)cc1	ZINC000852452592	FF	On-Demand	Clean	EPHX2	18	43
COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452597	GF	On-Demand	Clean	DRD4	46	38
COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452597	GF	On-Demand	Clean	MTNR1A	55	48
COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452597	GF	On-Demand	Clean	MTNR1B	48	48
COC(=O)c1cccc(CCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452597	GF	On-Demand	Clean	MCHR1	23	46
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452599	GF	On-Demand	Clean	DRD4	46	38
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452599	GF	On-Demand	Clean	MTNR1A	55	48
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452599	GF	On-Demand	Clean	MTNR1B	48	48
COC(=O)c1cccc(CCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452599	GF	On-Demand	Clean	MCHR1	23	46
COc1ccc(N2CC[C@H](NC(=O)N3CCN(CC(F)(F)F)CC3)C2)cc1	ZINC000852452603	GE	On-Demand	Clean	CCR2	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CCN(CC(F)(F)F)CC3)C2)cc1	ZINC000852452603	GE	On-Demand	Clean	MCHR1	15	46
COc1ccc(N2CC[C@H](NC(=O)N3CCN(CC(F)(F)F)CC3)C2)cc1	ZINC000852452603	GE	On-Demand	Clean	HPGDS	35	42
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H](C)c3ccccc3)C2)cc1	ZINC000852452610	FH	On-Demand	Clean	OPRK1	18	44
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H](C)c3ccccc3)C2)cc1	ZINC000852452610	FH	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H](C)c3ccccc3)C2)cc1	ZINC000852452613	FH	On-Demand	Clean	OPRK1	18	44
COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H](C)c3ccccc3)C2)cc1	ZINC000852452613	FH	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCCCc3ccc(O)cc3)C2)cc1	ZINC000852452616	FF	On-Demand	Clean	MTNR1A	23	44
COc1ccc(N2CC[C@H](NC(=O)NCCCc3ccc(O)cc3)C2)cc1	ZINC000852452616	FF	On-Demand	Clean	MTNR1B	23	44
COc1ccc(N2CC[C@H](NC(=O)NCCCc3ccc(O)cc3)C2)cc1	ZINC000852452616	FF	On-Demand	Clean	SLC6A5	45	41
COc1ccc(N2CC[C@H](NC(=O)NCCCc3ccc(O)cc3)C2)cc1	ZINC000852452616	FF	On-Demand	Clean	MCHR1	18	63
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)C3CCCCC3)C2)cc1	ZINC000852452628	FF	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)C3CCCCC3)C2)cc1	ZINC000852452628	FF	On-Demand	Clean	MTNR1B	18	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)C3CCCCC3)C2)cc1	ZINC000852452630	FF	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)C3CCCCC3)C2)cc1	ZINC000852452630	FF	On-Demand	Clean	MTNR1B	18	45
COCCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452640	GG	On-Demand	Clean	DRD4	25	41
COCCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452640	GG	On-Demand	Clean	SIGMAR1	20	45
COCCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452640	GG	On-Demand	Clean	MCHR1	23	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3F)C2)cc1	ZINC000852452641	GD	On-Demand	Reactive	SIGMAR1	16	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3F)C2)cc1	ZINC000852452641	GD	On-Demand	Reactive	CCR3	21	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3F)C2)cc1	ZINC000852452641	GD	On-Demand	Reactive	NPBWR1	40	31
COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452642	GG	On-Demand	Clean	DRD4	25	41
COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452642	GG	On-Demand	Clean	SIGMAR1	20	45
COCCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452642	GG	On-Demand	Clean	MCHR1	23	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4cccnn4)CC3)C2)cc1	ZINC000852452651	GD	On-Demand	Clean	NPBWR1	50	34
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3F)C2)cc1	ZINC000852452664	FG	On-Demand	Clean	MCHR1	16	40
CCC(CC)[C@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452669	EE	On-Demand	Clean	MTNR1A	16	48
CCC(CC)[C@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452669	EE	On-Demand	Clean	MTNR1B	16	48
CCC(CC)[C@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452671	EE	On-Demand	Clean	MTNR1A	16	48
CCC(CC)[C@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452671	EE	On-Demand	Clean	MTNR1B	16	48
CCC(CC)[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452673	EE	On-Demand	Clean	MTNR1A	16	48
CCC(CC)[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452673	EE	On-Demand	Clean	MTNR1B	16	48
CCOC(=O)[C@H](C)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852452675	EE	On-Demand	Anodyne	TPP2	60	37
CCC(CC)[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452676	EE	On-Demand	Clean	MTNR1A	16	48
CCC(CC)[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452676	EE	On-Demand	Clean	MTNR1B	16	48
CCOC(=O)[C@H](C)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852452677	EE	On-Demand	Anodyne	TPP2	60	37
COc1ccc(N2CC[C@H](NC(=O)NCCN(C(C)C)C(C)C)C2)cc1	ZINC000852452682	FF	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C(C)C)C(C)C)C2)cc1	ZINC000852452682	FF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C(C)C)C(C)C)C2)cc1	ZINC000852452682	FF	On-Demand	Clean	GHSR	16	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccsc3)C2)cc1	ZINC000852452684	GF	On-Demand	Clean	NPBWR1	71	37
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccsc3)C2)cc1	ZINC000852452686	GF	On-Demand	Clean	NPBWR1	71	37
COCC(=O)NC1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852452688	GD	On-Demand	Clean	EPHX2	26	44
COCC(=O)NC1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852452688	GD	On-Demand	Clean	MCHR1	19	43
COCC(=O)NC1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852452690	GD	On-Demand	Clean	EPHX2	26	44
COCC(=O)NC1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852452690	GD	On-Demand	Clean	MCHR1	19	43
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852452699	GG	On-Demand	Clean	EPHX2	20	44
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](c4ccccc4)C3)C2)cc1	ZINC000852452704	GG	On-Demand	Clean	EPHX2	20	44
CC[C@@H](N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(N)=O	ZINC000852452715	ED	On-Demand	Anodyne	TPP2	55	36
CC[C@H](N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(N)=O	ZINC000852452716	ED	On-Demand	Anodyne	TPP2	55	36
CC[C@H](N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(N)=O	ZINC000852452718	ED	On-Demand	Anodyne	TPP2	55	36
CC[C@@H](N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(N)=O	ZINC000852452720	ED	On-Demand	Anodyne	TPP2	55	36
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ncccc4F)CC3)C2)cc1	ZINC000852452724	GE	On-Demand	Clean	NPBWR1	46	32
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)C(C)C)C2)cc1	ZINC000852452731	DD	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)C(C)C)C2)cc1	ZINC000852452731	DD	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)NNc3ncnc4ccsc34)C2)cc1	ZINC000852452739	GF	On-Demand	Reactive	NPBWR1	52	33
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	DRD2	17	41
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	DRD3	21	41
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	HTR7	31	41
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	SIGMAR1	25	48
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	MMP13	27	43
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	MTNR1A	49	52
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	MTNR1B	45	52
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	MMP3	26	43
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	MMP9	21	43
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	EPHX2	19	41
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	MMP7	21	43
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	MMP1	23	43
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)NCc3ccccc3)C2)cc1	ZINC000852452760	GE	On-Demand	Clean	MCHR1	24	46
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(O)cc4C3)C2)cc1	ZINC000852452781	FF	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(O)cc4C3)C2)cc1	ZINC000852452781	FF	On-Demand	Clean	HDAC6	32	41
COC(=O)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852452783	GF	On-Demand	Clean	MCHR1	18	44
COC(=O)c1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852452784	GF	On-Demand	Clean	MCHR1	18	44
O=C(N1C[C@@H](NCc2cccc([N+](=O)[O-])c2)Cc2ccccc21)C(F)(F)F	ZINC000852452787	GG	On-Demand	Bother	CACNA1C	48	37
O=C(N1C[C@@H](NCc2cccc([N+](=O)[O-])c2)Cc2ccccc21)C(F)(F)F	ZINC000852452787	GG	On-Demand	Bother	CACNA1D	71	37
O=C(N1C[C@H](NCc2cccc([N+](=O)[O-])c2)Cc2ccccc21)C(F)(F)F	ZINC000852452788	GG	On-Demand	Bother	CACNA1C	48	37
O=C(N1C[C@H](NCc2cccc([N+](=O)[O-])c2)Cc2ccccc21)C(F)(F)F	ZINC000852452788	GG	On-Demand	Bother	CACNA1D	71	37
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	CHRM2	22	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	HTR1A	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	CHRM1	21	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	DRD2	39	53
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	DRD4	76	55
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	ACHE	47	52
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	HTR2A	20	53
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	HRH1	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	DRD3	37	53
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	SLC6A3	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	KCNH2	20	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	HTR4	28	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	CHRM3	28	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	LTA4H	42	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	HRH3	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	SIGMAR1	73	63
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	SSTR5	61	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	MMP13	36	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	BCHE	18	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	CCR3	60	51
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	CCR5	19	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	ADAM17	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	UTS2R	23	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	SLC18A3	34	52
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	MTNR1A	17	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	MTNR1B	19	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	MMP3	36	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	FAAH	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	ABCB1	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	GHSR	19	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	CCR2	19	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	SLC6A5	33	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	MMP9	35	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	EPHX2	24	46
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	PDE11A	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	PDK1	52	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	MMP1	37	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	MCHR1	60	55
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	CACNA1G	29	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	CCR8	23	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452793	GF	On-Demand	Clean	BIRC2	30	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	CHRM2	22	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	HTR1A	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	CHRM1	21	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	DRD2	39	53
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	DRD4	76	55
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	ACHE	47	52
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	HTR2A	20	53
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	HRH1	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	DRD3	37	53
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	SLC6A3	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	KCNH2	20	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	HTR4	28	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	CHRM3	28	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	LTA4H	42	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	HRH3	17	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	SIGMAR1	73	63
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	SSTR5	61	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	MMP13	36	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	BCHE	18	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	CCR3	60	51
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	CCR5	19	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	ADAM17	20	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	UTS2R	23	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	SLC18A3	34	52
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	MTNR1A	17	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	MTNR1B	19	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	MMP3	36	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	FAAH	16	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	ABCB1	16	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	GHSR	19	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	CCR2	19	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	SLC6A5	33	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	MMP9	35	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	EPHX2	24	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	PDE11A	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	PDK1	52	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	MMP1	37	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	MCHR1	60	55
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	CACNA1G	29	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	CCR8	23	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1	ZINC000852452794	GF	On-Demand	Clean	BIRC2	30	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1	ZINC000852452809	GE	On-Demand	Clean	CCR3	56	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1	ZINC000852452809	GE	On-Demand	Clean	MTNR1A	20	49
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1	ZINC000852452809	GE	On-Demand	Clean	MTNR1B	23	49
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1	ZINC000852452809	GE	On-Demand	Clean	CCR2	19	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1	ZINC000852452809	GE	On-Demand	Clean	EPHX2	27	48
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1	ZINC000852452809	GE	On-Demand	Clean	MCHR1	36	42
CCCN(CC(F)F)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452811	EF	On-Demand	Clean	MTNR1B	15	51
CCCN(CC(F)F)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452812	EF	On-Demand	Clean	MTNR1B	15	51
CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452815	DG	On-Demand	Clean	EDNRA	30	42
CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452815	DG	On-Demand	Clean	MMP13	21	41
CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452815	DG	On-Demand	Clean	MTNR1A	20	55
CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452815	DG	On-Demand	Clean	MTNR1B	20	55
CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452815	DG	On-Demand	Clean	MMP3	25	41
CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452815	DG	On-Demand	Clean	MMP1	20	41
CCCN(CCC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452815	DG	On-Demand	Clean	MCHR1	15	45
CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452816	DG	On-Demand	Clean	EDNRA	30	42
CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452816	DG	On-Demand	Clean	MMP13	21	41
CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452816	DG	On-Demand	Clean	MTNR1A	20	55
CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452816	DG	On-Demand	Clean	MTNR1B	20	55
CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452816	DG	On-Demand	Clean	MMP3	25	41
CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452816	DG	On-Demand	Clean	MMP1	20	41
CCCN(CCC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452816	DG	On-Demand	Clean	MCHR1	15	45
COc1ccc([C@@H](O)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852452817	GE	On-Demand	Clean	MTNR1A	16	47
COc1ccc([C@@H](O)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852452817	GE	On-Demand	Clean	MTNR1B	17	47
COc1ccc([C@@H](O)CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852452817	GE	On-Demand	Clean	EPHX2	15	42
COc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852452820	GE	On-Demand	Clean	MTNR1A	16	47
COc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852452820	GE	On-Demand	Clean	MTNR1B	17	47
COc1ccc([C@@H](O)CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852452820	GE	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCCC3)C2)cc1	ZINC000852452821	FE	On-Demand	Clean	MTNR1A	22	51
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCCC3)C2)cc1	ZINC000852452821	FE	On-Demand	Clean	MTNR1B	21	51
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCCC3)C2)cc1	ZINC000852452821	FE	On-Demand	Clean	CCR2	22	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCCC3)C2)cc1	ZINC000852452821	FE	On-Demand	Clean	EPHX2	37	50
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CCCCC3)C2)cc1	ZINC000852452821	FE	On-Demand	Clean	MCHR1	16	42
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(OC)cc4C3)C2)cc1	ZINC000852452830	GG	On-Demand	Clean	MTNR1A	20	48
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(OC)cc4C3)C2)cc1	ZINC000852452830	GG	On-Demand	Clean	MTNR1B	23	48
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(OC)cc4C3)C2)cc1	ZINC000852452830	GG	On-Demand	Clean	HDAC6	30	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccnc3)C2)cc1	ZINC000852452837	FD	On-Demand	Clean	CHRNA7	31	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccnc3)C2)cc1	ZINC000852452837	FD	On-Demand	Clean	C3AR1	16	40
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccnc3)C2)cc1	ZINC000852452837	FD	On-Demand	Clean	EPHX2	17	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3cccnc3)C2)cc1	ZINC000852452837	FD	On-Demand	Clean	MCHR1	19	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)cc3OC)C2)cc1	ZINC000852452839	GG	On-Demand	Clean	MTNR1A	22	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)cc3OC)C2)cc1	ZINC000852452839	GG	On-Demand	Clean	MTNR1B	20	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)cc3OC)C2)cc1	ZINC000852452839	GG	On-Demand	Clean	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)C2)cc1	ZINC000852452865	GD	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)C2)cc1	ZINC000852452865	GD	On-Demand	Clean	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)C2)cc1	ZINC000852452866	GD	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)C2)cc1	ZINC000852452866	GD	On-Demand	Clean	MCHR1	15	42
COc1ccc(N2CC[C@H](NC(=O)N3CCc4cnc(C(C)C)nc4C3)C2)cc1	ZINC000852452881	GF	On-Demand	Clean	MAPK1	53	39
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3OCCc4ccccc43)C2)cc1	ZINC000852452898	GF	On-Demand	Clean	MTNR1A	20	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3OCCc4ccccc43)C2)cc1	ZINC000852452898	GF	On-Demand	Clean	MTNR1B	23	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3OCCc4ccccc43)C2)cc1	ZINC000852452900	GF	On-Demand	Clean	MTNR1A	20	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3OCCc4ccccc43)C2)cc1	ZINC000852452900	GF	On-Demand	Clean	MTNR1B	23	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852452901	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)[C@@H](C)c3ccccc3)C2)cc1	ZINC000852452902	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)[C@H](C)c3ccccc3)C2)cc1	ZINC000852452903	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)[C@H](C)c3ccccc3)C2)cc1	ZINC000852452904	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](OCC(C)C)C3)C2)cc1	ZINC000852452906	FF	On-Demand	Clean	EPHX2	23	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](OCC(C)C)C3)C2)cc1	ZINC000852452907	FF	On-Demand	Clean	EPHX2	23	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C4CCN(C)CC4)C3)C2)cc1	ZINC000852452911	GF	On-Demand	Clean	EPHX2	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C4CCN(C)CC4)C3)C2)cc1	ZINC000852452912	GF	On-Demand	Clean	EPHX2	15	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCn3ccnc3)C2)cc1	ZINC000852452923	FE	On-Demand	Clean	QPCT	26	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccsc3)C2)cc1	ZINC000852452927	FE	On-Demand	Clean	NPBWR1	68	35
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccsc3)C2)cc1	ZINC000852452928	FE	On-Demand	Clean	NPBWR1	68	35
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccnc3)C2)cc1	ZINC000852452937	EF	On-Demand	Clean	PTAFR	18	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccnc3)C2)cc1	ZINC000852452937	EF	On-Demand	Clean	MMP13	21	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccnc3)C2)cc1	ZINC000852452937	EF	On-Demand	Clean	CHRNA7	49	45
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccnc3)C2)cc1	ZINC000852452937	EF	On-Demand	Clean	C3AR1	38	46
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccnc3)C2)cc1	ZINC000852452937	EF	On-Demand	Clean	MMP3	15	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccnc3)C2)cc1	ZINC000852452937	EF	On-Demand	Clean	MMP9	19	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccnc3)C2)cc1	ZINC000852452937	EF	On-Demand	Clean	MMP1	19	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccnc3)C2)cc1	ZINC000852452937	EF	On-Demand	Clean	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)[C@H](C)C3)C2)cc1	ZINC000852452939	DF	On-Demand	Clean	MTNR1A	15	49
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)[C@H](C)C3)C2)cc1	ZINC000852452939	DF	On-Demand	Clean	MTNR1B	19	49
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)[C@@H](C)C3)C2)cc1	ZINC000852452940	DF	On-Demand	Clean	MTNR1A	15	49
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)[C@@H](C)C3)C2)cc1	ZINC000852452940	DF	On-Demand	Clean	MTNR1B	19	49
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)[C@@H](C)C3)C2)cc1	ZINC000852452942	DF	On-Demand	Clean	MTNR1A	15	49
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)[C@@H](C)C3)C2)cc1	ZINC000852452942	DF	On-Demand	Clean	MTNR1B	19	49
COc1ccc(N2CC[C@H](NC(=O)N3CCc4cc(F)ccc4C3)C2)cc1	ZINC000852452944	FG	On-Demand	Clean	CCR3	29	53
COC(=O)c1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452945	GF	On-Demand	Clean	DRD4	45	37
COC(=O)c1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452945	GF	On-Demand	Clean	MMP13	28	40
COC(=O)c1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452945	GF	On-Demand	Clean	MTNR1A	27	49
COC(=O)c1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452945	GF	On-Demand	Clean	MTNR1B	23	49
COC(=O)c1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452945	GF	On-Demand	Clean	CCR2	22	44
COC(=O)c1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452945	GF	On-Demand	Clean	EPHX2	20	42
COC(=O)c1cccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452945	GF	On-Demand	Clean	MCHR1	24	47
COC(=O)c1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452946	GF	On-Demand	Clean	DRD4	45	37
COC(=O)c1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452946	GF	On-Demand	Clean	MMP13	28	40
COC(=O)c1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452946	GF	On-Demand	Clean	MTNR1A	27	49
COC(=O)c1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452946	GF	On-Demand	Clean	MTNR1B	23	49
COC(=O)c1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452946	GF	On-Demand	Clean	CCR2	22	44
COC(=O)c1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452946	GF	On-Demand	Clean	EPHX2	20	42
COC(=O)c1cccc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1	ZINC000852452946	GF	On-Demand	Clean	MCHR1	24	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](CCO)c3ccccc3)C2)cc1	ZINC000852452951	GF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](CCO)c3ccccc3)C2)cc1	ZINC000852452951	GF	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](CCO)c3ccccc3)C2)cc1	ZINC000852452952	GF	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](CCO)c3ccccc3)C2)cc1	ZINC000852452952	GF	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)NCCNc3cnccn3)C2)cc1	ZINC000852452955	FD	On-Demand	Clean	PROKR1	42	30
CCCCNC(=O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852452957	FE	On-Demand	Anodyne	TPP2	29	41
CCCCNC(=O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852452958	FE	On-Demand	Anodyne	TPP2	29	41
CNC(=O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452969	DC	On-Demand	Clean	MTNR1A	20	51
CNC(=O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452969	DC	On-Demand	Clean	MTNR1B	18	51
CNC(=O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452970	DC	On-Demand	Clean	MTNR1A	20	51
CNC(=O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852452970	DC	On-Demand	Clean	MTNR1B	18	51
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)c(C)c3)C2)cc1	ZINC000852452988	GG	On-Demand	Clean	MCHR1	20	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(NC(C)=O)cc3)C2)cc1	ZINC000852452991	GF	On-Demand	Clean	MTNR1A	45	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(NC(C)=O)cc3)C2)cc1	ZINC000852452991	GF	On-Demand	Clean	MTNR1B	39	43
COc1ccc(N2CC[C@H](NC(=O)NCCc3ccc(NC(C)=O)cc3)C2)cc1	ZINC000852452991	GF	On-Demand	Clean	MCHR1	22	62
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(C#N)cc3)C2)cc1	ZINC000852453007	FF	On-Demand	Mild	MCHR1	15	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CC3CCCC3)C2)cc1	ZINC000852453008	EG	On-Demand	Clean	MCHR1	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852453022	FG	On-Demand	Clean	SIGMAR1	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852453022	FG	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852453022	FG	On-Demand	Clean	EPHX2	29	49
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852453022	FG	On-Demand	Clean	MCHR1	16	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852453022	FG	On-Demand	Clean	ADAM10	30	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852453022	FG	On-Demand	Clean	NPBWR1	41	31
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4ccccc4)C3)C2)cc1	ZINC000852453024	FG	On-Demand	Clean	SIGMAR1	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4ccccc4)C3)C2)cc1	ZINC000852453024	FG	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4ccccc4)C3)C2)cc1	ZINC000852453024	FG	On-Demand	Clean	EPHX2	29	49
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4ccccc4)C3)C2)cc1	ZINC000852453024	FG	On-Demand	Clean	MCHR1	16	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4ccccc4)C3)C2)cc1	ZINC000852453024	FG	On-Demand	Clean	ADAM10	30	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4ccccc4)C3)C2)cc1	ZINC000852453024	FG	On-Demand	Clean	NPBWR1	41	31
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	DRD4	35	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	PTAFR	20	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	SIGMAR1	28	50
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	SSTR5	58	34
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	MMP13	22	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	CCR3	32	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	CHRNA7	49	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	C3AR1	39	47
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	MMP3	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	FAAH	28	45
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	MMP9	25	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	MMP1	22	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cccnc4)CC3)C2)cc1	ZINC000852453028	GE	On-Demand	Clean	MCHR1	29	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3COc4ccccc4C3)C2)cc1	ZINC000852453060	FF	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3COc4ccccc4C3)C2)cc1	ZINC000852453062	FF	On-Demand	Clean	MTNR1A	15	46
COc1ccc([C@@H]2CCN(C(=O)N[C@H]3CCN(c4ccc(OC)cc4)C3)C2)cc1	ZINC000852453064	GG	On-Demand	Clean	EPHX2	20	42
COc1ccc([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ccc(OC)cc4)C3)C2)cc1	ZINC000852453067	GG	On-Demand	Clean	EPHX2	20	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3C)C2)cc1	ZINC000852453092	EG	On-Demand	Clean	SIGMAR1	15	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3C)C2)cc1	ZINC000852453092	EG	On-Demand	Clean	CCR3	19	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3C)C2)cc1	ZINC000852453092	EG	On-Demand	Clean	MTNR1A	23	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3C)C2)cc1	ZINC000852453092	EG	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3C)C2)cc1	ZINC000852453092	EG	On-Demand	Clean	EPHX2	24	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3C)C2)cc1	ZINC000852453092	EG	On-Demand	Clean	MCHR1	18	44
COc1ccc(N2CC[C@H](NC(=O)NCCNc3ccccn3)C2)cc1	ZINC000852453102	FE	On-Demand	Clean	PROKR1	43	30
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453108	GG	On-Demand	Clean	HTR1A	18	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453108	GG	On-Demand	Clean	ADRA1D	42	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453108	GG	On-Demand	Clean	ADRA1B	40	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453108	GG	On-Demand	Clean	MTNR1A	20	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453108	GG	On-Demand	Clean	MTNR1B	23	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453112	GG	On-Demand	Clean	HTR1A	18	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453112	GG	On-Demand	Clean	ADRA1D	42	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453112	GG	On-Demand	Clean	ADRA1B	40	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453112	GG	On-Demand	Clean	MTNR1A	20	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCc4c(OC)cccc43)C2)cc1	ZINC000852453112	GG	On-Demand	Clean	MTNR1B	23	45
COc1ccc(N2CC[C@H](NC(=O)N3CCOC4(CCC4)C3)C2)cc1	ZINC000852453135	EE	On-Demand	Clean	MTNR1B	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CCOC4(CCC4)C3)C2)cc1	ZINC000852453135	EE	On-Demand	Clean	EPHX2	16	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccco4)CC3)C2)cc1	ZINC000852453144	GE	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)[C@@H](C)C3)C2)cc1	ZINC000852453151	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)[C@@H](C)C3)C2)cc1	ZINC000852453151	EF	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C)[C@H](C)C3)C2)cc1	ZINC000852453153	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C)[C@H](C)C3)C2)cc1	ZINC000852453153	EF	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C)[C@@H](C)C3)C2)cc1	ZINC000852453156	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C)[C@@H](C)C3)C2)cc1	ZINC000852453156	EF	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)[C@H](C)C3)C2)cc1	ZINC000852453158	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C)[C@H](C)C3)C2)cc1	ZINC000852453158	EF	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCC3)C2)cc1	ZINC000852453166	ED	On-Demand	Reactive	MTNR1A	25	47
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCC3)C2)cc1	ZINC000852453166	ED	On-Demand	Reactive	MTNR1B	23	47
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C3CCC3)C2)cc1	ZINC000852453166	ED	On-Demand	Reactive	EPHX2	18	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOc3ccccc3)C2)cc1	ZINC000852453171	FF	On-Demand	Clean	LTA4H	38	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOc3ccccc3)C2)cc1	ZINC000852453171	FF	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOc3ccccc3)C2)cc1	ZINC000852453171	FF	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOc3ccccc3)C2)cc1	ZINC000852453171	FF	On-Demand	Clean	MCHR1	19	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C4CCOCC4)CC3)C2)cc1	ZINC000852453176	GD	On-Demand	Clean	CHRM2	44	35
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C4CCOCC4)CC3)C2)cc1	ZINC000852453176	GD	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccccc3)C2)cc1	ZINC000852453187	FE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccccc3)C2)cc1	ZINC000852453187	FE	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccccc3)C2)cc1	ZINC000852453187	FE	On-Demand	Clean	EPHX2	24	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccccc3)C2)cc1	ZINC000852453187	FE	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccccc3)C2)cc1	ZINC000852453191	FE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccccc3)C2)cc1	ZINC000852453191	FE	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccccc3)C2)cc1	ZINC000852453191	FE	On-Demand	Clean	EPHX2	24	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccccc3)C2)cc1	ZINC000852453191	FE	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)NNc3cc(Cl)ccn3)C2)cc1	ZINC000852453212	FF	On-Demand	Reactive	HRH4	42	38
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4ccccn4)CC3)C2)cc1	ZINC000852453250	GG	On-Demand	Clean	EPHX2	23	44
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453251	FF	On-Demand	Clean	MTNR1A	21	46
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453251	FF	On-Demand	Clean	MTNR1B	20	46
COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453251	FF	On-Demand	Clean	MCHR1	15	52
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453252	FF	On-Demand	Clean	MTNR1A	21	46
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453252	FF	On-Demand	Clean	MTNR1B	20	46
COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453252	FF	On-Demand	Clean	MCHR1	15	52
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3Cc4ccccc43)C2)cc1	ZINC000852453255	FF	On-Demand	Clean	MTNR1A	37	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3Cc4ccccc43)C2)cc1	ZINC000852453255	FF	On-Demand	Clean	MTNR1B	40	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3Cc4ccccc43)C2)cc1	ZINC000852453256	FF	On-Demand	Clean	MTNR1A	37	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3Cc4ccccc43)C2)cc1	ZINC000852453256	FF	On-Demand	Clean	MTNR1B	40	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453262	FE	On-Demand	Clean	SIGMAR1	19	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453262	FE	On-Demand	Clean	MTNR1A	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453262	FE	On-Demand	Clean	MTNR1B	19	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453262	FE	On-Demand	Clean	MCHR1	16	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453262	FE	On-Demand	Clean	SCD1	19	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3)C2)cc1	ZINC000852453262	FE	On-Demand	Clean	SCD	24	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453263	FE	On-Demand	Clean	SIGMAR1	19	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453263	FE	On-Demand	Clean	MTNR1A	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453263	FE	On-Demand	Clean	MTNR1B	19	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453263	FE	On-Demand	Clean	MCHR1	16	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453263	FE	On-Demand	Clean	SCD1	19	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)cc1	ZINC000852453263	FE	On-Demand	Clean	SCD	24	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(F)c(F)c3)C2)cc1	ZINC000852453267	GG	On-Demand	Clean	MCHR1	25	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	DRD2	15	40
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	DRD4	28	45
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	DRD3	17	40
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	SIGMAR1	26	48
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	MMP13	29	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	MTNR1A	27	51
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	MTNR1B	23	51
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	MMP3	25	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	MMP9	21	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	EPHX2	17	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	MMP7	20	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	MMP1	23	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCc3ccccc3)C2)cc1	ZINC000852453275	GD	On-Demand	Clean	MCHR1	24	45
O=C(N1C[C@H](NC[C@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453277	GF	On-Demand	Anodyne	ADRB2	31	40
O=C(N1C[C@H](NC[C@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453277	GF	On-Demand	Anodyne	ADRB1	49	41
O=C(N1C[C@H](NC[C@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453277	GF	On-Demand	Anodyne	ADRB3	41	41
O=C(N1C[C@@H](NC[C@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453278	GF	On-Demand	Anodyne	ADRB2	31	40
O=C(N1C[C@@H](NC[C@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453278	GF	On-Demand	Anodyne	ADRB1	49	41
O=C(N1C[C@@H](NC[C@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453278	GF	On-Demand	Anodyne	ADRB3	41	41
O=C(N1C[C@H](NC[C@@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453279	GF	On-Demand	Anodyne	ADRB2	31	40
O=C(N1C[C@H](NC[C@@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453279	GF	On-Demand	Anodyne	ADRB1	49	41
O=C(N1C[C@H](NC[C@@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453279	GF	On-Demand	Anodyne	ADRB3	41	41
O=C(N1C[C@@H](NC[C@@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453280	GF	On-Demand	Anodyne	ADRB2	31	40
O=C(N1C[C@@H](NC[C@@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453280	GF	On-Demand	Anodyne	ADRB1	49	41
O=C(N1C[C@@H](NC[C@@H](O)COc2ccccc2)Cc2ccccc21)C(F)(F)F	ZINC000852453280	GF	On-Demand	Anodyne	ADRB3	41	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)cc1	ZINC000852453289	GE	On-Demand	Clean	MMP13	16	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)cc1	ZINC000852453289	GE	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)C(C)(C)C)CC3)C2)cc1	ZINC000852453289	GE	On-Demand	Clean	MMP1	16	42
COCC(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453291	GC	On-Demand	Clean	MTNR1B	16	48
COCC(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453291	GC	On-Demand	Clean	EPHX2	18	45
COCC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453292	GC	On-Demand	Clean	MTNR1B	16	48
COCC(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453292	GC	On-Demand	Clean	EPHX2	18	45
COc1ccc(N2CC[C@H](NC(=O)N3CCCO[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852453301	GG	On-Demand	Clean	EPHX2	17	43
COc1ccc(N2CC[C@H](NC(=O)N3CCCO[C@H](c4ccccc4)C3)C2)cc1	ZINC000852453302	GG	On-Demand	Clean	EPHX2	17	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N(C)C)c(F)c3)C2)cc1	ZINC000852453309	GF	On-Demand	Clean	MCHR1	20	48
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3c3ccsc3)C2)cc1	ZINC000852453312	FH	On-Demand	Clean	NPBWR1	86	37
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3c3ccsc3)C2)cc1	ZINC000852453313	FH	On-Demand	Clean	NPBWR1	86	37
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	DRD4	27	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	GRIN2B	25	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	SIGMAR1	30	49
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MMP13	31	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	PLA2G4A	19	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	ADAM17	17	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MTNR1A	20	52
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MTNR1B	21	52
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MMP2	18	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MMP3	38	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MMP9	30	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	EPHX2	16	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MMP7	22	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MMP1	36	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	HCAR2	20	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)CCc3ccccc3)C2)cc1	ZINC000852453315	GE	On-Demand	Reactive	MCHR1	25	45
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3c(C)cccc3C)C2)cc1	ZINC000852453329	GF	On-Demand	Clean	EDNRB	27	40
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3c(C)cccc3C)C2)cc1	ZINC000852453329	GF	On-Demand	Clean	MTNR1A	19	52
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3c(C)cccc3C)C2)cc1	ZINC000852453329	GF	On-Demand	Clean	MTNR1B	17	52
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3c(C)cccc3C)C2)cc1	ZINC000852453329	GF	On-Demand	Clean	CCR2	15	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3c(C)cccc3C)C2)cc1	ZINC000852453329	GF	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3c(C)cccc3C)C2)cc1	ZINC000852453329	GF	On-Demand	Clean	MCHR1	15	43
O=C1OCC[C@H]1N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453331	ED	On-Demand	Anodyne	LUXR	65	38
O=C1OCC[C@H]1N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453331	ED	On-Demand	Anodyne	TRAR	76	38
O=C1OCC[C@H]1N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453331	ED	On-Demand	Anodyne	LASR	47	38
O=C1OCC[C@@H]1N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453332	ED	On-Demand	Anodyne	LUXR	65	38
O=C1OCC[C@@H]1N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453332	ED	On-Demand	Anodyne	TRAR	76	38
O=C1OCC[C@@H]1N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453332	ED	On-Demand	Anodyne	LASR	47	38
O=C1OCC[C@@H]1N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453333	ED	On-Demand	Anodyne	LUXR	65	38
O=C1OCC[C@@H]1N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453333	ED	On-Demand	Anodyne	TRAR	76	38
O=C1OCC[C@@H]1N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453333	ED	On-Demand	Anodyne	LASR	47	38
O=C1OCC[C@H]1N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453335	ED	On-Demand	Anodyne	LUXR	65	38
O=C1OCC[C@H]1N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453335	ED	On-Demand	Anodyne	TRAR	76	38
O=C1OCC[C@H]1N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453335	ED	On-Demand	Anodyne	LASR	47	38
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	ZINC000852453337	FE	On-Demand	Clean	DRD4	21	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	ZINC000852453337	FE	On-Demand	Clean	SIGMAR1	15	44
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	ZINC000852453337	FE	On-Demand	Clean	CCR3	23	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	ZINC000852453337	FE	On-Demand	Clean	MTNR1A	21	49
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	ZINC000852453337	FE	On-Demand	Clean	MTNR1B	26	49
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	ZINC000852453337	FE	On-Demand	Clean	EPHX2	36	47
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)Nc3ccccc3)C2)cc1	ZINC000852453337	FE	On-Demand	Clean	MCHR1	32	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)c(F)c3)C2)cc1	ZINC000852453355	FG	On-Demand	Clean	CCR3	32	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)c(F)c3)C2)cc1	ZINC000852453355	FG	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)c(F)c3)C2)cc1	ZINC000852453355	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(F)c(F)c3)C2)cc1	ZINC000852453355	FG	On-Demand	Clean	MCHR1	25	49
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C(C)C)C3)C2)cc1	ZINC000852453369	EF	On-Demand	Clean	NPBWR1	40	32
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(F)cc3F)C2)cc1	ZINC000852453370	GG	On-Demand	Clean	MCHR1	16	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C(C)C)C3)C2)cc1	ZINC000852453371	EF	On-Demand	Clean	NPBWR1	40	32
CCCCN(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453374	DG	On-Demand	Clean	EDNRB	27	43
CCCCN(CC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453374	DG	On-Demand	Clean	EDNRA	28	47
CCCCN(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453376	DG	On-Demand	Clean	EDNRB	27	43
CCCCN(CC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453376	DG	On-Demand	Clean	EDNRA	28	47
CC[C@@H](C(=O)NNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852453381	GF	On-Demand	Reactive	KCNQ2	51	48
CC[C@@H](C(=O)NNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852453381	GF	On-Demand	Reactive	MTNR1B	16	47
CC[C@@H](C(=O)NNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852453384	GF	On-Demand	Reactive	KCNQ2	51	48
CC[C@@H](C(=O)NNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1	ZINC000852453384	GF	On-Demand	Reactive	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)NCC3CCSCC3)C2)cc1	ZINC000852453389	EF	On-Demand	Clean	MTNR1A	18	48
COc1ccc(N2CC[C@H](NC(=O)NCC3CCSCC3)C2)cc1	ZINC000852453389	EF	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)NCC3CCSCC3)C2)cc1	ZINC000852453389	EF	On-Demand	Clean	EPHX2	16	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C#N)cc3F)C2)cc1	ZINC000852453399	FF	On-Demand	Mild	P2RX7	18	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C#N)cc3F)C2)cc1	ZINC000852453399	FF	On-Demand	Mild	EPHX2	15	40
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453401	GD	On-Demand	Clean	MMP13	41	37
CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453402	GD	On-Demand	Clean	MMP13	41	37
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453403	GD	On-Demand	Clean	MMP13	41	37
CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453404	GD	On-Demand	Clean	MMP13	41	37
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](c3cccnc3)C3CC3)C2)cc1	ZINC000852453405	FG	On-Demand	Clean	C3AR1	35	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](c3cccnc3)C3CC3)C2)cc1	ZINC000852453406	FG	On-Demand	Clean	C3AR1	35	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CN(C)Cc4ccccc43)C2)cc1	ZINC000852453416	GF	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CN(C)Cc4ccccc43)C2)cc1	ZINC000852453418	GF	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CSc4ccccc43)C2)cc1	ZINC000852453434	FG	On-Demand	Clean	NPBWR1	41	30
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CSc4ccccc43)C2)cc1	ZINC000852453438	FG	On-Demand	Clean	NPBWR1	41	30
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccnc1N1CCCC1	ZINC000852453495	GD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccnc1N1CCCC1	ZINC000852453495	GD	On-Demand	Anodyne	SCN10A	24	42
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccnc1N1CCCC1	ZINC000852453496	GD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccnc1N1CCCC1	ZINC000852453496	GD	On-Demand	Anodyne	SCN10A	24	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccon2)CC1	ZINC000852453553	FD	On-Demand	Anodyne	ETHR	65	36
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccon2)CC1	ZINC000852453554	FD	On-Demand	Anodyne	ETHR	65	36
CC[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCN1CC(F)F	ZINC000852453581	GF	On-Demand	Clean	MTNR1B	15	45
CC[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCN1CC(F)F	ZINC000852453582	GF	On-Demand	Clean	MTNR1B	15	45
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccc([N+](=O)[O-])c1	ZINC000852453586	GH	On-Demand	Clean	EDNRB	20	40
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1cccc([N+](=O)[O-])c1	ZINC000852453586	GH	On-Demand	Clean	CACNA1D	48	37
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccc([N+](=O)[O-])c1	ZINC000852453587	GH	On-Demand	Clean	EDNRB	20	40
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cccc([N+](=O)[O-])c1	ZINC000852453587	GH	On-Demand	Clean	CACNA1D	48	37
C[C@H](N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(=O)Nc1nccs1	ZINC000852453589	GF	On-Demand	Anodyne	MAP1	97	34
C[C@@H](N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)C(=O)Nc1nccs1	ZINC000852453591	GF	On-Demand	Anodyne	MAP1	97	34
CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453593	GE	On-Demand	Clean	MTNR1B	15	47
CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453593	GE	On-Demand	Clean	EPHX2	24	47
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453594	GE	On-Demand	Clean	MTNR1B	15	47
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453594	GE	On-Demand	Clean	EPHX2	24	47
CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453595	GE	On-Demand	Clean	MTNR1B	15	47
CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453595	GE	On-Demand	Clean	EPHX2	24	47
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453596	GE	On-Demand	Clean	MTNR1B	15	47
CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453596	GE	On-Demand	Clean	EPHX2	24	47
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4cccs4)CC3)C2)cc1	ZINC000852453611	GF	On-Demand	Clean	NPBWR1	64	33
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc(F)c(F)c(F)c3)C2)cc1	ZINC000852453625	GH	On-Demand	Clean	MCHR1	19	42
COc1ccc(N2CC[C@H](NC(=O)N3CCc4c(F)cccc4C3)C2)cc1	ZINC000852453654	FG	On-Demand	Clean	DRD4	43	36
O=C(CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)Nc1nccs1	ZINC000852453681	GE	On-Demand	Anodyne	MAP1	94	35
O=C(CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)Nc1nccs1	ZINC000852453684	GE	On-Demand	Anodyne	MAP1	94	35
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C4CCOCC4)C3)C2)cc1	ZINC000852453687	FF	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C4CCOCC4)C3)C2)cc1	ZINC000852453693	FF	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccc(F)cn4)CC3)C2)cc1	ZINC000852453699	GE	On-Demand	Clean	DGAT1	25	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccc(F)cn4)CC3)C2)cc1	ZINC000852453699	GE	On-Demand	Clean	NPBWR1	77	40
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccc(F)cn4)CC3)C2)cc1	ZINC000852453699	GE	On-Demand	Clean	SLC27A1	47	38
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4nc(C)no4)CC3)C2)cc1	ZINC000852453741	GF	On-Demand	Clean	SMO	39	45
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4nc(C)no4)CC3)C2)cc1	ZINC000852453741	GF	On-Demand	Clean	ETHR	54	40
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4CCCCN4C[C@H]3C)C2)cc1	ZINC000852453748	FF	On-Demand	Clean	CHRM2	16	41
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CCCCN4C[C@@H]3C)C2)cc1	ZINC000852453751	FF	On-Demand	Clean	CHRM2	16	41
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4CCCCN4C[C@@H]3C)C2)cc1	ZINC000852453754	FF	On-Demand	Clean	CHRM2	16	41
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]4CCCCN4C[C@H]3C)C2)cc1	ZINC000852453757	FF	On-Demand	Clean	CHRM2	16	41
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	CHRM2	20	43
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	P2RY12	64	37
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	GRIN2B	18	43
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	MMP13	23	45
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	MTNR1B	16	53
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	MMP3	23	41
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	MMP9	16	45
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	EPHX2	43	53
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	ADAM9	15	40
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	MMP7	18	41
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	MMP1	18	41
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	MCHR1	16	41
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453761	GE	On-Demand	Clean	CCR8	28	40
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	CHRM2	20	43
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	P2RY12	64	37
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	GRIN2B	18	43
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	MMP13	23	45
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	MTNR1B	16	53
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	MMP3	23	41
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	MMP9	16	45
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	EPHX2	43	53
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	ADAM9	15	40
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	MMP7	18	41
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	MMP1	18	41
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	MCHR1	16	41
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453762	GE	On-Demand	Clean	CCR8	28	40
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3ccccc3C)C2)cc1	ZINC000852453770	FH	On-Demand	Clean	EDNRB	27	41
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3ccccc3C)C2)cc1	ZINC000852453770	FH	On-Demand	Clean	EDNRA	18	43
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOc3ccc(F)cc3)C2)cc1	ZINC000852453771	GG	On-Demand	Clean	CCR3	22	40
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccccc3C)C2)cc1	ZINC000852453776	FH	On-Demand	Clean	EDNRB	27	41
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccccc3C)C2)cc1	ZINC000852453776	FH	On-Demand	Clean	EDNRA	18	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3cc(OC)ccc3O)C2)cc1	ZINC000852453800	GG	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3cc(OC)ccc3O)C2)cc1	ZINC000852453802	GG	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)N3CCCSCC3)C2)cc1	ZINC000852453828	EE	On-Demand	Clean	DPP7	18	40
CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453846	GC	On-Demand	Clean	MTNR1B	17	48
CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852453848	GC	On-Demand	Clean	MTNR1B	17	48
CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453852	GH	On-Demand	Clean	MCHR1	22	47
CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852453853	GH	On-Demand	Clean	MCHR1	22	47
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(=O)C(C)C)CC3)C2)cc1	ZINC000852453872	GE	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC(NC(=O)C(C)C)CC3)C2)cc1	ZINC000852453872	GE	On-Demand	Clean	EPHX2	27	43
CC[C@H](C)NC(=O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453874	FE	On-Demand	Anodyne	TPP2	51	33
CC[C@H](C)NC(=O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852453876	FE	On-Demand	Anodyne	TPP2	51	33
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC(C)C)c3)C2)cc1	ZINC000852453883	GH	On-Demand	Clean	MTNR1A	21	49
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC(C)C)c3)C2)cc1	ZINC000852453883	GH	On-Demand	Clean	MTNR1B	21	49
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC(C)C)c3)C2)cc1	ZINC000852453883	GH	On-Demand	Clean	MCHR1	19	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4cccnc4)CC3)C2)cc1	ZINC000852453891	GG	On-Demand	Clean	C3AR1	33	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4cccnc4)CC3)C2)cc1	ZINC000852453891	GG	On-Demand	Clean	EPHX2	21	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	GRIN2B	47	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	PTAFR	25	42
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	MMP13	24	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	CCR3	27	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	CHRNA7	52	48
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	C3AR1	46	53
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	MMP3	20	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	MMP9	23	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	MMP7	20	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	MMP1	24	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC(Cc4cccnc4)CC3)C2)cc1	ZINC000852453904	GG	On-Demand	Clean	ACHP_LYMST	23	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3c3cccc(C)n3)C2)cc1	ZINC000852453920	GH	On-Demand	Clean	CPT1A	43	38
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3c3cccc(C)n3)C2)cc1	ZINC000852453922	GH	On-Demand	Clean	CPT1A	43	38
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Cc4ccncc4)C3)C2)cc1	ZINC000852453958	GF	On-Demand	Clean	GRIN2B	28	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](Cc4ccncc4)C3)C2)cc1	ZINC000852453958	GF	On-Demand	Clean	CCR3	24	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Cc4ccncc4)C3)C2)cc1	ZINC000852453959	GF	On-Demand	Clean	GRIN2B	28	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](Cc4ccncc4)C3)C2)cc1	ZINC000852453959	GF	On-Demand	Clean	CCR3	24	42
COc1ccc(N2CC[C@H](NC(=O)NCc3csc(-c4ccco4)n3)C2)cc1	ZINC000852453970	GG	On-Demand	Clean	NPBWR1	46	31
COc1ccc(N2CC[C@H](NC(=O)NCc3cn4ccccc4n3)C2)cc1	ZINC000852453974	FE	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852453984	FD	On-Demand	Clean	MMP3	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852453984	FD	On-Demand	Clean	EPHX2	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852453984	FD	On-Demand	Clean	MMP7	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852453985	FD	On-Demand	Clean	MMP3	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852453985	FD	On-Demand	Clean	EPHX2	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852453985	FD	On-Demand	Clean	MMP7	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852453986	FD	On-Demand	Clean	MMP3	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852453986	FD	On-Demand	Clean	EPHX2	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852453986	FD	On-Demand	Clean	MMP7	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852453987	FD	On-Demand	Clean	MMP3	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852453987	FD	On-Demand	Clean	EPHX2	19	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852453987	FD	On-Demand	Clean	MMP7	15	40
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)c3ccccc3)C2)cc1	ZINC000852453998	FF	On-Demand	Clean	MTNR1A	26	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)c3ccccc3)C2)cc1	ZINC000852453998	FF	On-Demand	Clean	MTNR1B	23	45
COc1ccc(N2CC[C@H](NC(=O)NCCN(C)c3ccccc3)C2)cc1	ZINC000852453998	FF	On-Demand	Clean	MCHR1	18	48
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Nc3ccccc3C)C2)cc1	ZINC000852454004	GF	On-Demand	Reactive	CCR3	15	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Nc3ccccc3C)C2)cc1	ZINC000852454004	GF	On-Demand	Reactive	CCR8	60	35
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccccc4C3)C2)cc1	ZINC000852454020	EF	On-Demand	Clean	MTNR1A	22	49
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccccc4C3)C2)cc1	ZINC000852454020	EF	On-Demand	Clean	MTNR1B	26	49
COc1ccc(N2CC[C@H](NC(=O)N3Cc4ccccc4C3)C2)cc1	ZINC000852454020	EF	On-Demand	Clean	EPHX2	15	42
CCCCCNC(=O)[C@H](C)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454034	GF	On-Demand	Anodyne	TPP2	47	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](C4CC4)C3)C2)cc1	ZINC000852454044	EF	On-Demand	Clean	EPHX2	22	45
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](C4CC4)C3)C2)cc1	ZINC000852454045	EF	On-Demand	Clean	EPHX2	22	45
CCCCCNC(=O)[C@@H](C)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454049	GF	On-Demand	Anodyne	TPP2	47	41
CCCCCNC(=O)[C@@H](C)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454050	GF	On-Demand	Anodyne	TPP2	47	41
CCCCCNC(=O)[C@H](C)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454051	GF	On-Demand	Anodyne	TPP2	47	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OCC(C)C)CC3)C2)cc1	ZINC000852454057	GG	On-Demand	Clean	EPHX2	22	45
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454058	GG	On-Demand	Clean	DRD4	27	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454058	GG	On-Demand	Clean	LTA4H	15	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454058	GG	On-Demand	Clean	SIGMAR1	25	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454058	GG	On-Demand	Clean	MTNR1A	17	53
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454058	GG	On-Demand	Clean	MTNR1B	20	53
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454058	GG	On-Demand	Clean	EPHX2	30	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454058	GG	On-Demand	Clean	MCHR1	21	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3C)C2)cc1	ZINC000852454059	FG	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3C)C2)cc1	ZINC000852454059	FG	On-Demand	Clean	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454062	GG	On-Demand	Clean	DRD4	27	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454062	GG	On-Demand	Clean	LTA4H	15	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454062	GG	On-Demand	Clean	SIGMAR1	25	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454062	GG	On-Demand	Clean	MTNR1A	17	53
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454062	GG	On-Demand	Clean	MTNR1B	20	53
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454062	GG	On-Demand	Clean	EPHX2	30	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccccc4)C3)C2)cc1	ZINC000852454062	GG	On-Demand	Clean	MCHR1	21	43
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccc(F)cc3)C2)cc1	ZINC000852454064	GD	On-Demand	Reactive	SIGMAR1	19	47
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccc(F)cc3)C2)cc1	ZINC000852454064	GD	On-Demand	Reactive	CCR3	59	45
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccc(F)cc3)C2)cc1	ZINC000852454064	GD	On-Demand	Reactive	MCHR1	20	43
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(F)cc4C3)C2)cc1	ZINC000852454075	FG	On-Demand	Clean	CCR3	29	49
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccc(F)cc4C3)C2)cc1	ZINC000852454075	FG	On-Demand	Clean	HDAC6	32	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3Cl)C2)cc1	ZINC000852454106	GF	On-Demand	Clean	DRD4	42	32
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3Cl)C2)cc1	ZINC000852454106	GF	On-Demand	Clean	OPRL1	25	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3Cl)C2)cc1	ZINC000852454106	GF	On-Demand	Clean	SIGMAR1	19	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccccc3Cl)C2)cc1	ZINC000852454106	GF	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)NCCOC3CCCCC3)C2)cc1	ZINC000852454112	FF	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NCCOC3CCCCC3)C2)cc1	ZINC000852454112	FF	On-Demand	Clean	EPHX2	19	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3Cl)C2)cc1	ZINC000852454114	GF	On-Demand	Clean	DRD4	42	32
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3Cl)C2)cc1	ZINC000852454114	GF	On-Demand	Clean	OPRL1	25	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3Cl)C2)cc1	ZINC000852454114	GF	On-Demand	Clean	SIGMAR1	19	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3Cl)C2)cc1	ZINC000852454114	GF	On-Demand	Clean	MTNR1A	15	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852454148	FD	On-Demand	Clean	MMP3	18	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852454148	FD	On-Demand	Clean	MMP7	17	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(C)=O)C[C@@H]3C)C2)cc1	ZINC000852454148	FD	On-Demand	Clean	MMP1	16	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(C)c3)C2)cc1	ZINC000852454150	FG	On-Demand	Clean	DRD4	23	41
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(C)c3)C2)cc1	ZINC000852454150	FG	On-Demand	Clean	MTNR1A	15	49
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(C)c3)C2)cc1	ZINC000852454150	FG	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(C)c3)C2)cc1	ZINC000852454150	FG	On-Demand	Clean	HSD17B2	17	41
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(C)c3)C2)cc1	ZINC000852454150	FG	On-Demand	Clean	MCHR1	22	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852454152	FD	On-Demand	Clean	MMP3	18	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852454152	FD	On-Demand	Clean	MMP7	17	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(C)=O)C[C@H]3C)C2)cc1	ZINC000852454152	FD	On-Demand	Clean	MMP1	16	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(N)=O)cc3)C2)cc1	ZINC000852454167	FD	On-Demand	Clean	F2	15	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(N)=O)cc3)C2)cc1	ZINC000852454167	FD	On-Demand	Clean	MCHR1	22	50
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C(N)=O)cc3)C2)cc1	ZINC000852454167	FD	On-Demand	Clean	PROKR1	53	32
O=C(N1C[C@H](NCc2noc3c2CCCC3)Cc2ccccc21)C(F)(F)F	ZINC000852454173	GG	On-Demand	Anodyne	PANC	52	34
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852454176	GE	On-Demand	Anodyne	EPHX2	30	47
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852454176	GE	On-Demand	Anodyne	TRPM8	32	52
O=C(N1C[C@@H](NCc2noc3c2CCCC3)Cc2ccccc21)C(F)(F)F	ZINC000852454178	GG	On-Demand	Anodyne	PANC	52	34
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852454180	GE	On-Demand	Anodyne	EPHX2	30	47
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852454180	GE	On-Demand	Anodyne	TRPM8	32	52
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852454183	GE	On-Demand	Anodyne	EPHX2	30	47
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852454183	GE	On-Demand	Anodyne	TRPM8	32	52
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@H](c4ccccc4)C3)C2)cc1	ZINC000852454186	GG	On-Demand	Clean	EPHX2	16	43
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@H](c4ccccc4)C3)C2)cc1	ZINC000852454186	GG	On-Demand	Clean	NPBWR1	46	33
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852454187	GE	On-Demand	Anodyne	EPHX2	30	47
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852454187	GE	On-Demand	Anodyne	TRPM8	32	52
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852454189	GG	On-Demand	Clean	EPHX2	16	43
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)C2)cc1	ZINC000852454189	GG	On-Demand	Clean	NPBWR1	46	33
O=C(NCC[S@@](=O)CC(F)(F)F)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	ZINC000852454190	GD	On-Demand	Anodyne	CHRNA4	27	46
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)C2)cc1	ZINC000852454192	GG	On-Demand	Clean	EPHX2	16	43
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)C2)cc1	ZINC000852454192	GG	On-Demand	Clean	NPBWR1	46	33
O=C(NCC[S@](=O)CC(F)(F)F)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	ZINC000852454193	GD	On-Demand	Anodyne	CHRNA4	27	46
CCOC(=O)CCN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454194	EE	On-Demand	Anodyne	TPP2	44	36
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](c4ccccc4)O[C@H](C)C3)C2)cc1	ZINC000852454195	GG	On-Demand	Clean	EPHX2	16	43
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](c4ccccc4)O[C@H](C)C3)C2)cc1	ZINC000852454195	GG	On-Demand	Clean	NPBWR1	46	33
CCOC(=O)CCN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454197	EE	On-Demand	Anodyne	TPP2	44	36
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)c4ccccc4C3)C2)cc1	ZINC000852454239	GF	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccc(C)o3)C2)cc1	ZINC000852454256	FE	On-Demand	Clean	MTNR1A	16	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3ccc(C)o3)C2)cc1	ZINC000852454256	FE	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccc(C)o3)C2)cc1	ZINC000852454260	FE	On-Demand	Clean	MTNR1A	16	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccc(C)o3)C2)cc1	ZINC000852454260	FE	On-Demand	Clean	MTNR1B	15	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	HTR1A	20	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	DRD2	31	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	DRD4	35	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	ADRA1D	18	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	ADRA1A	15	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	ADRA1B	15	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	SIGMAR1	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	SOAT1	21	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3ccccc3OC)C2)cc1	ZINC000852454284	GE	On-Demand	Clean	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc4ccccc4o3)C2)cc1	ZINC000852454286	GH	On-Demand	Clean	MCHR1	19	40
COc1ccc(N2CC[C@H](NC(=O)NCc3coc(-c4ccccc4)n3)C2)cc1	ZINC000852454288	GG	On-Demand	Clean	PDE8B	53	33
COc1ccc(N2CC[C@H](NC(=O)NCc3coc(-c4ccccc4)n3)C2)cc1	ZINC000852454288	GG	On-Demand	Clean	NPBWR1	41	31
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOCc3ccccc3)C2)cc1	ZINC000852454292	GG	On-Demand	Clean	SIGMAR1	19	44
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOCc3ccccc3)C2)cc1	ZINC000852454292	GG	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	HTR1A	22	45
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	DRD2	17	45
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	HTR1D	64	38
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	HTR1B	54	40
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	DRD3	19	43
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	TACR1	18	40
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	CCKAR	66	39
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	NMBR	46	36
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	MC5R	33	40
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	MTNR1A	45	45
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	MTNR1B	36	43
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	CCKBR	48	40
COc1ccc(N2CC[C@H](NC(=O)NCCCc3c[nH]c4ccccc34)C2)cc1	ZINC000852454301	GH	On-Demand	Clean	GHSR	52	42
COc1ccc2c(c1)CN(C(=O)NCC[S@@](=O)CC(F)(F)F)CCO2	ZINC000852454310	GD	On-Demand	Anodyne	DRD4	40	31
COc1ccc2c(c1)CN(C(=O)NCC[S@](=O)CC(F)(F)F)CCO2	ZINC000852454313	GD	On-Demand	Anodyne	DRD4	40	31
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(C)ccc3OC)C2)cc1	ZINC000852454389	GG	On-Demand	Clean	MTNR1A	52	44
COc1ccc(N2CC[C@H](NC(=O)NCCc3cc(C)ccc3OC)C2)cc1	ZINC000852454389	GG	On-Demand	Clean	MTNR1B	41	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)COc3ccccc3)C2)cc1	ZINC000852454410	FG	On-Demand	Clean	CPT1A	43	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)COc3ccccc3)C2)cc1	ZINC000852454410	FG	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)COc3ccccc3)C2)cc1	ZINC000852454410	FG	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)COc3ccccc3)C2)cc1	ZINC000852454410	FG	On-Demand	Clean	MCHR1	20	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)COc3ccccc3)C2)cc1	ZINC000852454411	FG	On-Demand	Clean	CPT1A	43	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)COc3ccccc3)C2)cc1	ZINC000852454411	FG	On-Demand	Clean	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)COc3ccccc3)C2)cc1	ZINC000852454411	FG	On-Demand	Clean	MTNR1B	19	48
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)COc3ccccc3)C2)cc1	ZINC000852454411	FG	On-Demand	Clean	MCHR1	20	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(C(N)=O)c3)C2)cc1	ZINC000852454412	GE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(C(N)=O)c3)C2)cc1	ZINC000852454412	GE	On-Demand	Clean	MCHR1	21	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852454419	GC	On-Demand	Clean	MMP13	29	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852454419	GC	On-Demand	Clean	MMP3	30	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852454419	GC	On-Demand	Clean	MMP1	28	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852454421	GC	On-Demand	Clean	MMP13	29	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852454421	GC	On-Demand	Clean	MMP3	30	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852454421	GC	On-Demand	Clean	MMP1	28	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)c3nc4ccccc4[nH]3)C2)cc1	ZINC000852454422	GG	On-Demand	Clean	NPBWR1	31	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)C2)cc1	ZINC000852454423	GG	On-Demand	Clean	NPBWR1	31	40
CC[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852454425	DF	On-Demand	Clean	MTNR1B	15	49
CC[C@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852454429	DF	On-Demand	Clean	MTNR1B	15	49
CC[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852454432	DF	On-Demand	Clean	MTNR1B	15	49
CC[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852454436	DF	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3c(F)cccc3F)C2)cc1	ZINC000852454457	GF	On-Demand	Clean	MTNR1A	19	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3c(F)cccc3F)C2)cc1	ZINC000852454457	GF	On-Demand	Clean	MTNR1B	17	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3c(F)cccc3F)C2)cc1	ZINC000852454459	GF	On-Demand	Clean	MTNR1A	19	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3c(F)cccc3F)C2)cc1	ZINC000852454459	GF	On-Demand	Clean	MTNR1B	17	47
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccncc2)C1	ZINC000852454505	FD	On-Demand	Anodyne	EPHX2	24	52
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccncc2)C1	ZINC000852454507	FD	On-Demand	Anodyne	EPHX2	24	52
COc1ccc(N2CC[C@H](NC(=O)NCCc3cscn3)C2)cc1	ZINC000852454539	EE	On-Demand	Clean	MTNR1A	16	42
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(F)(F)CC3)C2)cc1	ZINC000852454568	FG	On-Demand	Clean	MTNR1A	18	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(F)(F)CC3)C2)cc1	ZINC000852454568	FG	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC3CCC(F)(F)CC3)C2)cc1	ZINC000852454568	FG	On-Demand	Clean	EPHX2	44	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852454581	GF	On-Demand	Anodyne	EPHX2	33	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852454582	GF	On-Demand	Anodyne	EPHX2	33	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000852454584	GF	On-Demand	Anodyne	EPHX2	33	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000852454587	GF	On-Demand	Anodyne	EPHX2	33	43
COc1ccc2c(c1)CN(C(=O)NCC[S@@](=O)CC(F)(F)F)C2	ZINC000852454622	FE	On-Demand	Anodyne	DRD4	41	32
COc1ccc2c(c1)CN(C(=O)NCC[S@@](=O)CC(F)(F)F)C2	ZINC000852454622	FE	On-Demand	Anodyne	NQO2	29	41
COc1ccc2c(c1)CN(C(=O)NCC[S@](=O)CC(F)(F)F)C2	ZINC000852454626	FE	On-Demand	Anodyne	DRD4	41	32
COc1ccc2c(c1)CN(C(=O)NCC[S@](=O)CC(F)(F)F)C2	ZINC000852454626	FE	On-Demand	Anodyne	NQO2	29	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccn2)C1	ZINC000852454629	ED	On-Demand	Anodyne	RBP4	52	36
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccccn2)C1	ZINC000852454633	ED	On-Demand	Anodyne	RBP4	52	36
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccn2)C1	ZINC000852454637	ED	On-Demand	Anodyne	RBP4	52	36
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccccn2)C1	ZINC000852454640	ED	On-Demand	Anodyne	RBP4	52	36
COc1ccc(N2CC[C@H](NC(=O)NCC3CCC(OC)CC3)C2)cc1	ZINC000852454645	FF	On-Demand	Clean	MTNR1A	17	47
COc1ccc(N2CC[C@H](NC(=O)NCC3CCC(OC)CC3)C2)cc1	ZINC000852454645	FF	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)NCC3CCC(OC)CC3)C2)cc1	ZINC000852454645	FF	On-Demand	Clean	EPHX2	17	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(F)c3)C2)cc1	ZINC000852454686	FE	On-Demand	Clean	CCR3	31	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(F)c3)C2)cc1	ZINC000852454686	FE	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(F)c3)C2)cc1	ZINC000852454686	FE	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(F)c3)C2)cc1	ZINC000852454690	FE	On-Demand	Clean	CCR3	31	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(F)c3)C2)cc1	ZINC000852454690	FE	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(F)c3)C2)cc1	ZINC000852454690	FE	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)Nc3ccccc3)C2)cc1	ZINC000852454692	GF	On-Demand	Clean	DRD3	16	40
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)Nc3ccccc3)C2)cc1	ZINC000852454692	GF	On-Demand	Clean	LTA4H	37	40
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)Nc3ccccc3)C2)cc1	ZINC000852454692	GF	On-Demand	Clean	CCR3	28	43
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)Nc3ccccc3)C2)cc1	ZINC000852454692	GF	On-Demand	Clean	MTNR1A	34	51
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)Nc3ccccc3)C2)cc1	ZINC000852454692	GF	On-Demand	Clean	MTNR1B	34	51
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)Nc3ccccc3)C2)cc1	ZINC000852454692	GF	On-Demand	Clean	EPHX2	34	46
COc1ccc(N2CC[C@H](NC(=O)NCCC(=O)Nc3ccccc3)C2)cc1	ZINC000852454692	GF	On-Demand	Clean	MCHR1	30	51
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(N(C)C)c3)C2)cc1	ZINC000852454696	GD	On-Demand	Reactive	DRD4	45	36
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(N(C)C)c3)C2)cc1	ZINC000852454696	GD	On-Demand	Reactive	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(N(C)C)c3)C2)cc1	ZINC000852454696	GD	On-Demand	Reactive	MCHR1	18	46
CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccccc1	ZINC000852454735	EF	On-Demand	Anodyne	TACR3	50	39
COc1ccc(N2CC[C@H](NC(=O)NNc3nc(C)cc(C)n3)C2)cc1	ZINC000852454736	FE	On-Demand	Reactive	MTNR1B	15	48
CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccccc1	ZINC000852454737	EF	On-Demand	Anodyne	TACR3	50	39
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3nc4ccccc4s3)C2)cc1	ZINC000852454741	GH	On-Demand	Clean	LTA4H	30	43
CCC(CC)(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(F)cc1	ZINC000852454750	GG	On-Demand	Anodyne	CACNA1G	38	44
CCC(CC)(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(F)cc1	ZINC000852454757	GG	On-Demand	Anodyne	CACNA1G	38	44
CCOC(=O)C1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852454772	GE	On-Demand	Clean	EPHX2	16	43
CCOC(=O)C1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852454772	GE	On-Demand	Clean	PTR1	46	33
CCOC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852454773	GE	On-Demand	Clean	EPHX2	16	43
CCOC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852454773	GE	On-Demand	Clean	PTR1	46	33
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC(F)F)cc3)C2)cc1	ZINC000852454774	GG	On-Demand	Clean	MCHR1	15	49
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)c(OC)c3)C2)cc1	ZINC000852454786	GG	On-Demand	Clean	MTNR1B	18	45
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)c(OC)c3)C2)cc1	ZINC000852454786	GG	On-Demand	Clean	MT-ND1	19	44
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(OC)c(OC)c3)C2)cc1	ZINC000852454786	GG	On-Demand	Clean	MCHR1	23	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ncccn4)CC3)C2)cc1	ZINC000852454790	GD	On-Demand	Clean	NPBWR1	57	33
CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852454828	EG	On-Demand	Clean	MTNR1B	17	49
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)C2)cc1	ZINC000852454830	GH	On-Demand	Clean	EDNRA	20	42
CC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852454832	EG	On-Demand	Clean	MTNR1B	17	49
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)C2)cc1	ZINC000852454835	GH	On-Demand	Clean	EDNRA	20	42
CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852454837	EG	On-Demand	Clean	MTNR1B	17	49
CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852454842	EG	On-Demand	Clean	MTNR1B	17	49
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	ADRB1	34	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	DRD4	43	37
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	ADRB3	58	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	IGF1R	28	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	CCR3	16	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	CYP3A4	53	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454853	GF	On-Demand	Clean	MCHR1	19	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	ADRB1	34	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	DRD4	43	37
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	ADRB3	58	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	IGF1R	28	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	CCR3	16	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	MTNR1A	20	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	CYP3A4	53	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(Cl)c3)C2)cc1	ZINC000852454857	GF	On-Demand	Clean	MCHR1	19	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2cccc(F)c2F)CC1	ZINC000852454874	GG	On-Demand	Anodyne	RBP4	53	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2cccc(F)c2F)CC1	ZINC000852454874	GG	On-Demand	Anodyne	CALCRL	41	46
COc1ccc(N2CC[C@H](NC(=O)N3CCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852454876	GC	On-Demand	Clean	MMP13	36	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852454876	GC	On-Demand	Clean	MMP3	36	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852454876	GC	On-Demand	Clean	MMP9	25	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852454876	GC	On-Demand	Clean	MMP7	32	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852454876	GC	On-Demand	Clean	MMP1	31	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2cccc(F)c2F)CC1	ZINC000852454878	GG	On-Demand	Anodyne	RBP4	53	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2cccc(F)c2F)CC1	ZINC000852454878	GG	On-Demand	Anodyne	CALCRL	41	46
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	KLK3	64	35
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	CTSB	55	40
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	PAPA1_CARPA	73	37
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	CYSP_TRYCR	42	36
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	CTSK	32	44
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	CAPNS1	65	38
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	HLA-DRB1	42	34
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	CAPN1	82	41
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	CAPN2	123	38
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	FPR1	43	36
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454882	GD	On-Demand	Anodyne	NPR	84	38
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	KLK3	64	35
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	CTSB	55	40
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	PAPA1_CARPA	73	37
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	CYSP_TRYCR	42	36
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	CTSK	32	44
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	CAPNS1	65	38
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	HLA-DRB1	42	34
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	CAPN1	82	41
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	CAPN2	123	38
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	FPR1	43	36
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)OCc1ccccc1	ZINC000852454886	GD	On-Demand	Anodyne	NPR	84	38
COc1ccc(N2CC[C@H](NC(=O)N3CCN(CC(F)F)CC3)C2)cc1	ZINC000852454893	FD	On-Demand	Clean	CCR3	29	40
COc1ccc(N2CC[C@H](NC(=O)N3CCN(CC(F)F)CC3)C2)cc1	ZINC000852454893	FD	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCOCC3)C2)cc1	ZINC000852454911	EE	On-Demand	Clean	EPHX2	25	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCOCC3)C2)cc1	ZINC000852454911	EE	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCOCC3)C2)cc1	ZINC000852454914	EE	On-Demand	Clean	EPHX2	25	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCOCC3)C2)cc1	ZINC000852454914	EE	On-Demand	Clean	PDK1	44	31
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCc3ccccc3)C2)cc1	ZINC000852454924	FH	On-Demand	Clean	DRD4	23	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCc3ccccc3)C2)cc1	ZINC000852454924	FH	On-Demand	Clean	SIGMAR1	34	45
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCc3ccccc3)C2)cc1	ZINC000852454924	FH	On-Demand	Clean	MTNR1A	17	45
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCc3ccccc3)C2)cc1	ZINC000852454924	FH	On-Demand	Clean	MTNR1B	19	45
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCc3ccccc3)C2)cc1	ZINC000852454924	FH	On-Demand	Clean	MMP2	15	41
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCc3ccccc3)C2)cc1	ZINC000852454924	FH	On-Demand	Clean	MMP3	33	41
COc1ccc(N2CC[C@H](NC(=O)N(C)CCCc3ccccc3)C2)cc1	ZINC000852454924	FH	On-Demand	Clean	MCHR1	22	50
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc(C)on3)C2)cc1	ZINC000852454925	EE	On-Demand	Clean	PDK1	40	34
COc1ccc(N2CC[C@H](NC(=O)N3CCc4c(cccc4OC)C3)C2)cc1	ZINC000852454929	GG	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N3CCc4c(cccc4OC)C3)C2)cc1	ZINC000852454929	GG	On-Demand	Clean	MTNR1B	19	45
COc1ccc(N2CC[C@H](NC(=O)N3CCc4c(cccc4OC)C3)C2)cc1	ZINC000852454929	GG	On-Demand	Clean	SSTR1	63	41
CCCNC(=O)[C@H](C)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454959	FE	On-Demand	Anodyne	TPP2	56	42
CCCNC(=O)[C@@H](C)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454965	FE	On-Demand	Anodyne	TPP2	56	42
CCCNC(=O)[C@H](C)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454971	FE	On-Demand	Anodyne	TPP2	56	42
CCCNC(=O)[C@@H](C)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1	ZINC000852454976	FE	On-Demand	Anodyne	TPP2	56	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)cc1	ZINC000852454979	FE	On-Demand	Clean	EDNRB	34	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)cc1	ZINC000852454979	FE	On-Demand	Clean	EDNRA	28	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)cc1	ZINC000852454979	FE	On-Demand	Clean	CCR5	21	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)cc1	ZINC000852454979	FE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)cc1	ZINC000852454979	FE	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)cc1	ZINC000852454979	FE	On-Demand	Clean	MCHR1	17	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)cc1	ZINC000852454980	FE	On-Demand	Clean	EDNRB	34	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)cc1	ZINC000852454980	FE	On-Demand	Clean	EDNRA	28	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)cc1	ZINC000852454980	FE	On-Demand	Clean	CCR5	21	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)cc1	ZINC000852454980	FE	On-Demand	Clean	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)cc1	ZINC000852454980	FE	On-Demand	Clean	MTNR1B	18	47
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)cc1	ZINC000852454980	FE	On-Demand	Clean	MCHR1	17	47
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(c4ccccc4)CC3)C2)cc1	ZINC000852454981	GG	On-Demand	Clean	CCR3	17	41
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(c4ccccc4)CC3)C2)cc1	ZINC000852454981	GG	On-Demand	Clean	MTNR1B	16	48
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(c4ccccc4)CC3)C2)cc1	ZINC000852454981	GG	On-Demand	Clean	MMP2	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(c4ccccc4)CC3)C2)cc1	ZINC000852454981	GG	On-Demand	Clean	EPHX2	16	44
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(c4ccccc4)CC3)C2)cc1	ZINC000852454981	GG	On-Demand	Clean	ADAM10	34	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(c4ccccc4)CC3)C2)cc1	ZINC000852454981	GG	On-Demand	Clean	NPBWR1	56	31
COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCCN(CC(C)C)C3)C2)cc1	ZINC000852455003	GF	On-Demand	Clean	BIRC2	30	41
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCN(CC(C)C)C3)C2)cc1	ZINC000852455005	GF	On-Demand	Clean	BIRC2	30	41
COc1ccc(N2CC[C@H](NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)C2)cc1	ZINC000852455034	GF	On-Demand	Clean	SSTR1	45	38
COc1cccc([C@H](CO)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852455035	FD	On-Demand	Anodyne	DRD4	40	32
COc1cccc([C@H](CO)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852455039	FD	On-Demand	Anodyne	DRD4	40	32
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)S[C@H](C)C3)C2)cc1	ZINC000852455057	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)S[C@H](C)C3)C2)cc1	ZINC000852455057	EF	On-Demand	Clean	NPBWR1	46	32
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)S[C@@H](C)C3)C2)cc1	ZINC000852455059	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)S[C@@H](C)C3)C2)cc1	ZINC000852455059	EF	On-Demand	Clean	NPBWR1	46	32
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)S[C@H](C)C3)C2)cc1	ZINC000852455063	EF	On-Demand	Clean	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](C)S[C@H](C)C3)C2)cc1	ZINC000852455063	EF	On-Demand	Clean	NPBWR1	46	32
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(N(C)C)cc3)C2)cc1	ZINC000852455065	FF	On-Demand	Clean	MCHR1	19	52
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852455071	GC	On-Demand	Clean	MMP13	28	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852455071	GC	On-Demand	Clean	MMP3	29	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852455071	GC	On-Demand	Clean	MMP9	21	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852455071	GC	On-Demand	Clean	MMP7	29	40
COc1ccc(N2CC[C@H](NC(=O)N3CCCN(S(C)(=O)=O)CC3)C2)cc1	ZINC000852455071	GC	On-Demand	Clean	MMP1	27	40
O=C(NCC[S@](=O)CC(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852455073	GG	On-Demand	Anodyne	SLC18A3	19	40
O=C(NCC[S@](=O)CC(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852455073	GG	On-Demand	Anodyne	CCR2	15	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852455077	GG	On-Demand	Anodyne	SLC18A3	19	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2	ZINC000852455077	GG	On-Demand	Anodyne	CCR2	15	40
O=C(CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)Nc1ccccc1	ZINC000852455087	GF	On-Demand	Anodyne	AVPR2	17	40
O=C(CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)Nc1ccccc1	ZINC000852455089	GF	On-Demand	Anodyne	AVPR2	17	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOc3ccccc3OC)C2)cc1	ZINC000852455170	GG	On-Demand	Clean	HTR1A	15	40
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](c3ccccc3)N(C)C)C2)cc1	ZINC000852455182	GF	On-Demand	Clean	OPRK1	26	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](c3ccccc3)N(C)C)C2)cc1	ZINC000852455182	GF	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](c3ccccc3)N(C)C)C2)cc1	ZINC000852455182	GF	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](c3ccccc3)N(C)C)C2)cc1	ZINC000852455182	GF	On-Demand	Clean	MCHR1	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](c3ccccc3)N(C)C)C2)cc1	ZINC000852455184	GF	On-Demand	Clean	OPRK1	26	46
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](c3ccccc3)N(C)C)C2)cc1	ZINC000852455184	GF	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](c3ccccc3)N(C)C)C2)cc1	ZINC000852455184	GF	On-Demand	Clean	MTNR1B	17	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](c3ccccc3)N(C)C)C2)cc1	ZINC000852455184	GF	On-Demand	Clean	MCHR1	15	44
O=C(N1C[C@@H](NC[C@@H](O)c2cccc(F)c2)Cc2ccccc21)C(F)(F)F	ZINC000852455192	GF	On-Demand	Anodyne	ADRB3	18	41
O=C(N1C[C@H](NC[C@@H](O)c2cccc(F)c2)Cc2ccccc21)C(F)(F)F	ZINC000852455193	GF	On-Demand	Anodyne	ADRB3	18	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3c3cccnc3)C2)cc1	ZINC000852455200	FG	On-Demand	Clean	C3AR1	21	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3c3cccnc3)C2)cc1	ZINC000852455201	FG	On-Demand	Clean	C3AR1	21	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCCCC4)C3)C2)cc1	ZINC000852455236	FF	On-Demand	Clean	CHRM2	52	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCCCC4)C3)C2)cc1	ZINC000852455236	FF	On-Demand	Clean	HRH3	18	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCCCC4)C3)C2)cc1	ZINC000852455236	FF	On-Demand	Clean	MMP13	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCCCC4)C3)C2)cc1	ZINC000852455236	FF	On-Demand	Clean	CCR4	18	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCCCC4)C3)C2)cc1	ZINC000852455236	FF	On-Demand	Clean	MMP3	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](N4CCCCC4)C3)C2)cc1	ZINC000852455236	FF	On-Demand	Clean	L3MBTL3	121	45
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCCCC4)C3)C2)cc1	ZINC000852455239	FF	On-Demand	Clean	CHRM2	52	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCCCC4)C3)C2)cc1	ZINC000852455239	FF	On-Demand	Clean	HRH3	18	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCCCC4)C3)C2)cc1	ZINC000852455239	FF	On-Demand	Clean	MMP13	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCCCC4)C3)C2)cc1	ZINC000852455239	FF	On-Demand	Clean	CCR4	18	41
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCCCC4)C3)C2)cc1	ZINC000852455239	FF	On-Demand	Clean	MMP3	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](N4CCCCC4)C3)C2)cc1	ZINC000852455239	FF	On-Demand	Clean	L3MBTL3	121	45
COc1ccc(N2CC[C@H](NC(=O)NCC(C3CC3)C3CC3)C2)cc1	ZINC000852455246	EG	On-Demand	Clean	MTNR1A	20	48
COc1ccc(N2CC[C@H](NC(=O)NCC(C3CC3)C3CC3)C2)cc1	ZINC000852455246	EG	On-Demand	Clean	MTNR1B	18	48
O=C(N1C[C@@H](NC[C@H](O)c2cccc(F)c2)Cc2ccccc21)C(F)(F)F	ZINC000852455256	GF	On-Demand	Anodyne	ADRB3	18	41
O=C(N1C[C@H](NC[C@H](O)c2cccc(F)c2)Cc2ccccc21)C(F)(F)F	ZINC000852455259	GF	On-Demand	Anodyne	ADRB3	18	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)C1	ZINC000852455268	FF	On-Demand	Anodyne	RBP4	55	37
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)C1	ZINC000852455270	FF	On-Demand	Anodyne	RBP4	55	37
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4cnn(C)c4)CC3)C2)cc1	ZINC000852455273	GD	On-Demand	Clean	NPBWR1	74	33
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)C1	ZINC000852455278	FF	On-Demand	Anodyne	RBP4	55	37
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)C1	ZINC000852455285	FF	On-Demand	Anodyne	RBP4	55	37
COC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CCN(c3ccc(OC)cc3)C1)C2	ZINC000852455287	GF	On-Demand	Clean	MTNR1B	15	45
COC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CCN(c3ccc(OC)cc3)C1)C2	ZINC000852455289	GF	On-Demand	Clean	MTNR1B	15	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C)c(OC)c3)C2)cc1	ZINC000852455301	FG	On-Demand	Clean	MTNR1A	37	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C)c(OC)c3)C2)cc1	ZINC000852455301	FG	On-Demand	Clean	MTNR1B	32	48
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C)c(OC)c3)C2)cc1	ZINC000852455301	FG	On-Demand	Clean	MCHR1	25	49
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CNC(C)=O)CC3)C2)cc1	ZINC000852455330	FD	On-Demand	Clean	MTNR1A	37	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CNC(C)=O)CC3)C2)cc1	ZINC000852455330	FD	On-Demand	Clean	MTNR1B	35	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC(CNC(C)=O)CC3)C2)cc1	ZINC000852455330	FD	On-Demand	Clean	EPHX2	19	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	DRD4	24	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	GRIN2B	29	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	SIGMAR1	21	46
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	MMP13	28	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	MMP3	26	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	MMP9	25	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	EPHX2	19	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	MMP7	22	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	MMP1	26	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](COc4ccccc4)C3)C2)cc1	ZINC000852455334	GG	On-Demand	Clean	MCHR1	21	40
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccncc4)CC3)C2)cc1	ZINC000852455337	GE	On-Demand	Clean	F10	17	47
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccncc4)CC3)C2)cc1	ZINC000852455337	GE	On-Demand	Clean	NPBWR1	53	33
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	DRD4	24	44
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	GRIN2B	29	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	SIGMAR1	21	46
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	MMP13	28	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	MMP3	26	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	MMP9	25	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	EPHX2	19	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	MMP7	22	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	MMP1	26	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](COc4ccccc4)C3)C2)cc1	ZINC000852455339	GG	On-Demand	Clean	MCHR1	21	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(N(C)C)c3)C2)cc1	ZINC000852455360	GG	On-Demand	Clean	MTNR1A	18	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(N(C)C)c3)C2)cc1	ZINC000852455360	GG	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(N(C)C)c3)C2)cc1	ZINC000852455360	GG	On-Demand	Clean	MCHR1	18	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccn4)CC3)C2)cc1	ZINC000852455385	GE	On-Demand	Clean	HTR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccn4)CC3)C2)cc1	ZINC000852455385	GE	On-Demand	Clean	DRD4	29	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccn4)CC3)C2)cc1	ZINC000852455385	GE	On-Demand	Clean	EBP	28	48
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccn4)CC3)C2)cc1	ZINC000852455385	GE	On-Demand	Clean	SSTR1	28	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccn4)CC3)C2)cc1	ZINC000852455385	GE	On-Demand	Clean	NPBWR1	56	36
COc1ccc(N2CC[C@H](NC(=O)NCCNc3ncccc3C#N)C2)cc1	ZINC000852455427	GD	On-Demand	Mild	PROKR1	54	33
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccc(F)c(F)c2)CC1	ZINC000852455429	GG	On-Demand	Anodyne	ADRA1D	25	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccc(F)c(F)c2)CC1	ZINC000852455429	GG	On-Demand	Anodyne	ADRA1A	45	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccc(F)c(F)c2)CC1	ZINC000852455429	GG	On-Demand	Anodyne	ADRA1B	28	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccc(F)c(F)c2)CC1	ZINC000852455431	GG	On-Demand	Anodyne	ADRA1D	25	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccc(F)c(F)c2)CC1	ZINC000852455431	GG	On-Demand	Anodyne	ADRA1A	45	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccc(F)c(F)c2)CC1	ZINC000852455431	GG	On-Demand	Anodyne	ADRA1B	28	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(C)cc3)C2)cc1	ZINC000852455438	FG	On-Demand	Clean	MCHR1	24	46
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3OC)C2)cc1	ZINC000852455441	FG	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3OC)C2)cc1	ZINC000852455441	FG	On-Demand	Clean	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(Cl)cc3)C2)cc1	ZINC000852455456	FH	On-Demand	Clean	DRD4	19	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(Cl)cc3)C2)cc1	ZINC000852455456	FH	On-Demand	Clean	SIGMAR1	16	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(Cl)cc3)C2)cc1	ZINC000852455456	FH	On-Demand	Clean	CCR1	21	52
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(Cl)cc3)C2)cc1	ZINC000852455456	FH	On-Demand	Clean	SLC6A5	21	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(Cl)cc3)C2)cc1	ZINC000852455456	FH	On-Demand	Clean	MCHR1	31	45
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455457	GG	On-Demand	Clean	EDNRB	91	45
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455457	GG	On-Demand	Clean	EDNRA	94	47
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455457	GG	On-Demand	Clean	BMP1	75	45
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455457	GG	On-Demand	Clean	NOS2	73	33
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455457	GG	On-Demand	Clean	MCHR1	34	53
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455458	GG	On-Demand	Clean	EDNRB	91	45
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455458	GG	On-Demand	Clean	EDNRA	94	47
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455458	GG	On-Demand	Clean	BMP1	75	45
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455458	GG	On-Demand	Clean	NOS2	73	33
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455458	GG	On-Demand	Clean	MCHR1	34	53
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4ccc(O)cc4)CC3)C2)cc1	ZINC000852455460	GH	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)cc1	ZINC000852455479	GG	On-Demand	Clean	MCHR1	15	45
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccccc2)C1	ZINC000852455484	FE	On-Demand	Anodyne	EPHX2	34	46
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccccc2)C1	ZINC000852455485	FE	On-Demand	Anodyne	EPHX2	34	46
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3cc(F)ccc3F)C2)cc1	ZINC000852455492	GH	On-Demand	Clean	MCHR1	17	40
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3cc(F)ccc3F)C2)cc1	ZINC000852455495	GH	On-Demand	Clean	MCHR1	17	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](NC(C)=O)C3)C2)cc1	ZINC000852455505	FD	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](NC(C)=O)C3)C2)cc1	ZINC000852455505	FD	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](NC(C)=O)C3)C2)cc1	ZINC000852455505	FD	On-Demand	Clean	BIRC2	17	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](NC(C)=O)C3)C2)cc1	ZINC000852455507	FD	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](NC(C)=O)C3)C2)cc1	ZINC000852455507	FD	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](NC(C)=O)C3)C2)cc1	ZINC000852455507	FD	On-Demand	Clean	BIRC2	17	40
COc1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852455547	FG	On-Demand	Clean	SIGMAR1	15	43
COc1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852455547	FG	On-Demand	Clean	MTNR1A	15	48
COc1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852455547	FG	On-Demand	Clean	MCHR1	23	48
COc1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852455549	FG	On-Demand	Clean	SIGMAR1	15	43
COc1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852455549	FG	On-Demand	Clean	MTNR1A	15	48
COc1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852455549	FG	On-Demand	Clean	MCHR1	23	48
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852455556	GF	On-Demand	Anodyne	HTR1A	22	45
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852455556	GF	On-Demand	Anodyne	HTR1D	45	42
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852455556	GF	On-Demand	Anodyne	HTR1B	41	45
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852455556	GF	On-Demand	Anodyne	SLC6A4	24	58
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852455556	GF	On-Demand	Anodyne	MPO	115	58
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852455559	GF	On-Demand	Anodyne	HTR1A	22	45
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852455559	GF	On-Demand	Anodyne	HTR1D	45	42
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852455559	GF	On-Demand	Anodyne	HTR1B	41	45
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852455559	GF	On-Demand	Anodyne	SLC6A4	24	58
O=C(NCCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852455559	GF	On-Demand	Anodyne	MPO	115	58
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3Cl)C2)cc1	ZINC000852455560	FG	On-Demand	Clean	DRD4	44	34
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3Cl)C2)cc1	ZINC000852455560	FG	On-Demand	Clean	HTR4	19	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3Cl)C2)cc1	ZINC000852455560	FG	On-Demand	Clean	SIGMAR1	20	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3Cl)C2)cc1	ZINC000852455560	FG	On-Demand	Clean	P2RX7	51	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3Cl)C2)cc1	ZINC000852455560	FG	On-Demand	Clean	MTNR1A	25	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3Cl)C2)cc1	ZINC000852455560	FG	On-Demand	Clean	MTNR1B	21	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3Cl)C2)cc1	ZINC000852455560	FG	On-Demand	Clean	EPHX2	43	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3Cl)C2)cc1	ZINC000852455560	FG	On-Demand	Clean	MCHR1	20	44
COc1ccc(N2CC[C@H](NC(=O)NCCN3CCNC(=O)C3)C2)cc1	ZINC000852455585	FC	On-Demand	Clean	DRD4	44	36
COc1ccc(N2CC[C@H](NC(=O)N3CCC(S(C)(=O)=O)CC3)C2)cc1	ZINC000852455589	GD	On-Demand	Clean	EPHX2	15	41
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	DRD2	30	41
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	DRD4	34	43
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	HRH2	15	40
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	HTR2A	20	42
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	HTR4	61	45
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	HTR7	31	41
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	HRH3	17	40
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	SIGMAR1	38	47
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	MMP13	16	43
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	MTNR1A	15	52
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	MTNR1B	17	52
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	MMP3	15	41
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	SLC6A5	32	48
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	EPHX2	32	47
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	PDK1	40	33
CCCCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455598	FF	On-Demand	Clean	MCHR1	25	43
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	DRD2	30	41
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	DRD4	34	43
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	HRH2	15	40
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	HTR2A	20	42
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	HTR4	61	45
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	HTR7	31	41
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	HRH3	17	40
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	SIGMAR1	38	47
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	MMP13	16	43
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	MTNR1A	15	52
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	MTNR1B	17	52
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	MMP3	15	41
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	SLC6A5	32	48
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	EPHX2	32	47
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	PDK1	40	33
CCCCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1	ZINC000852455599	FF	On-Demand	Clean	MCHR1	25	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCNc3ccccn3)C2)cc1	ZINC000852455620	GF	On-Demand	Clean	HTR1A	17	43
COc1ccc(N2CC[C@H](NC(=O)NCCCCNc3ccccn3)C2)cc1	ZINC000852455620	GF	On-Demand	Clean	DRD2	17	44
COc1ccc(N2CC[C@H](NC(=O)NCCCCNc3ccccn3)C2)cc1	ZINC000852455620	GF	On-Demand	Clean	MTNR1A	16	45
COc1ccc(N2CC[C@H](NC(=O)NCCCCNc3ccccn3)C2)cc1	ZINC000852455620	GF	On-Demand	Clean	MTNR1B	16	45
COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCOCC4)C3)C2)cc1	ZINC000852455630	FE	On-Demand	Clean	MMP13	24	40
COc1ccc(N2CC[C@H](NC(=O)N(CC3CC3)CC3CC3)C2)cc1	ZINC000852455632	EG	On-Demand	Clean	MTNR1A	17	49
COc1ccc(N2CC[C@H](NC(=O)N(CC3CC3)CC3CC3)C2)cc1	ZINC000852455632	EG	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)N(CC3CC3)CC3CC3)C2)cc1	ZINC000852455632	EG	On-Demand	Clean	MMP3	15	40
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](C)[C@@H]3C)C2)cc1	ZINC000852455638	EG	On-Demand	Clean	TRPC6	46	35
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](C)[C@H]3C)C2)cc1	ZINC000852455639	EG	On-Demand	Clean	TRPC6	46	35
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H](C)[C@@H]3C)C2)cc1	ZINC000852455640	EG	On-Demand	Clean	TRPC6	46	35
COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](C)[C@H]3C)C2)cc1	ZINC000852455641	EG	On-Demand	Clean	TRPC6	46	35
COc1ccc(N2CC[C@H](NC(=O)NCC3(O)Cc4ccccc4C3)C2)cc1	ZINC000852455667	GE	On-Demand	Clean	MTNR1A	25	49
COc1ccc(N2CC[C@H](NC(=O)NCC3(O)Cc4ccccc4C3)C2)cc1	ZINC000852455667	GE	On-Demand	Clean	MTNR1B	25	49
COc1ccc(N2CC[C@H](NC(=O)NCCn3c(O)nc4ccccc43)C2)cc1	ZINC000852455668	GE	On-Demand	Clean	HRH1	30	44
COc1ccc(N2CC[C@H](NC(=O)NCCn3c(O)nc4ccccc43)C2)cc1	ZINC000852455668	GE	On-Demand	Clean	DRD3	15	41
COc1ccc(N2CC[C@H](NC(=O)NCCn3c(O)nc4ccccc43)C2)cc1	ZINC000852455668	GE	On-Demand	Clean	PDE6D	48	36
COc1ccc(N2CC[C@H](NC(=O)NCCn3c(O)nc4ccccc43)C2)cc1	ZINC000852455668	GE	On-Demand	Clean	MCHR1	20	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	DRD4	26	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	SIGMAR1	23	46
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	MMP13	22	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	CTSK	25	44
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	CTSL	26	44
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	MTNR1A	17	46
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	MTNR1B	16	46
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	MMP3	27	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	MMP9	22	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	MMP7	20	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	MMP1	26	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	MCHR1	21	42
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)OCc3ccccc3)C2)cc1	ZINC000852455674	GE	On-Demand	Clean	SLC12A5	62	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc4ccccc4s3)C2)cc1	ZINC000852455680	GG	On-Demand	Clean	LTA4H	28	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc4ccccc4s3)C2)cc1	ZINC000852455680	GG	On-Demand	Clean	MTNR1A	24	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3nc4ccccc4s3)C2)cc1	ZINC000852455680	GG	On-Demand	Clean	MTNR1B	18	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](c4ccccc4OC)C3)C2)cc1	ZINC000852455682	GG	On-Demand	Clean	EPHX2	16	40
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](c4ccccc4OC)C3)C2)cc1	ZINC000852455684	GG	On-Demand	Clean	EPHX2	16	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3OC)C2)cc1	ZINC000852455702	GD	On-Demand	Reactive	DRD2	16	40
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3OC)C2)cc1	ZINC000852455702	GD	On-Demand	Reactive	SIGMAR1	17	50
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3OC)C2)cc1	ZINC000852455702	GD	On-Demand	Reactive	CCR3	20	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3OC)C2)cc1	ZINC000852455702	GD	On-Demand	Reactive	MTNR1A	16	48
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3OC)C2)cc1	ZINC000852455702	GD	On-Demand	Reactive	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(F)cc3)C2)cc1	ZINC000852455710	FG	On-Demand	Clean	CCR3	37	41
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(F)cc3)C2)cc1	ZINC000852455710	FG	On-Demand	Clean	TACR3	15	41
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc(F)cc3)C2)cc1	ZINC000852455710	FG	On-Demand	Clean	MCHR1	24	45
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1	ZINC000852455720	GH	On-Demand	Clean	EDNRB	23	41
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1	ZINC000852455720	GH	On-Demand	Clean	EDNRA	18	41
CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1	ZINC000852455720	GH	On-Demand	Clean	MTNR1B	15	49
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1	ZINC000852455721	GH	On-Demand	Clean	EDNRB	23	41
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1	ZINC000852455721	GH	On-Demand	Clean	EDNRA	18	41
CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(OC)cc1	ZINC000852455721	GH	On-Demand	Clean	MTNR1B	15	49
COc1ccc(N2CC[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cc1	ZINC000852455742	GE	On-Demand	Clean	MMP7	17	50
CONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455746	CD	On-Demand	Clean	HRH4	44	38
CONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455746	CD	On-Demand	Clean	MTNR1A	17	51
CONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455746	CD	On-Demand	Clean	MTNR1B	18	51
CONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455746	CD	On-Demand	Clean	EPHX2	23	45
CONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455747	CD	On-Demand	Clean	HRH4	44	38
CONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455747	CD	On-Demand	Clean	MTNR1A	17	51
CONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455747	CD	On-Demand	Clean	MTNR1B	18	51
CONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852455747	CD	On-Demand	Clean	EPHX2	23	45
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3OC)C2)cc1	ZINC000852455749	GG	On-Demand	Clean	MTNR1A	15	45
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3OC)C2)cc1	ZINC000852455749	GG	On-Demand	Clean	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3OC)C2)cc1	ZINC000852455749	GG	On-Demand	Clean	MBTPS1	55	36
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(O)c3)C2)cc1	ZINC000852455756	FE	On-Demand	Clean	CCR3	22	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(O)c3)C2)cc1	ZINC000852455756	FE	On-Demand	Clean	MTNR1A	19	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(O)c3)C2)cc1	ZINC000852455756	FE	On-Demand	Clean	MTNR1B	19	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(OC)c(O)c3)C2)cc1	ZINC000852455756	FE	On-Demand	Clean	MCHR1	21	49
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccsc3)C2)cc1	ZINC000852455763	EG	On-Demand	Clean	NPBWR1	63	32
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	DRD4	44	36
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	SIGMAR1	22	47
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	ROCK1	32	44
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	MTNR1A	42	56
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	MTNR1B	42	56
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	MMP3	20	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	ROCK2	36	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	HSD17B2	21	45
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(OC)c3)C2)cc1	ZINC000852455776	FG	On-Demand	Clean	MCHR1	28	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C(C)C)C2)cc1	ZINC000852455779	DD	On-Demand	Reactive	MTNR1A	15	47
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)C(C)C)C2)cc1	ZINC000852455779	DD	On-Demand	Reactive	MTNR1B	15	47
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cnn(C)c3)C2)cc1	ZINC000852455780	ED	On-Demand	Clean	MCHR1	15	43
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)NCCc1ccccc1	ZINC000852455784	GD	On-Demand	Anodyne	ANPEP	27	41
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)NCCc1ccccc1	ZINC000852455784	GD	On-Demand	Anodyne	AMP1_PLAFQ	30	41
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)NCCc1ccccc1	ZINC000852455786	GD	On-Demand	Anodyne	ANPEP	27	41
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)NCCc1ccccc1	ZINC000852455786	GD	On-Demand	Anodyne	AMP1_PLAFQ	30	41
COc1ccc(N2CC[C@H](NC(=O)N3CCC(C(N)=O)CC3)C2)cc1	ZINC000852455795	ED	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)N3CCC(C(N)=O)CC3)C2)cc1	ZINC000852455795	ED	On-Demand	Clean	EPHX2	15	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	ACE	43	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	DRD4	23	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	SIGMAR1	22	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	MMP13	22	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	MMP3	31	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	MMP9	23	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	MMP7	17	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	MMP1	30	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	MCHR1	23	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	BIRC2	51	42
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455798	GE	On-Demand	Clean	PSMB8	48	36
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	ACE	43	35
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	DRD4	23	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	SIGMAR1	22	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	MMP13	22	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	MMP3	31	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	MMP9	23	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	MMP7	17	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	MMP1	30	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	MCHR1	23	41
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	BIRC2	51	42
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)C2)cc1	ZINC000852455805	GE	On-Demand	Clean	PSMB8	48	36
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccnc3)C2)cc1	ZINC000852455807	GD	On-Demand	Clean	DRD4	51	42
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccnc3)C2)cc1	ZINC000852455807	GD	On-Demand	Clean	DRD3	26	46
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccnc3)C2)cc1	ZINC000852455807	GD	On-Demand	Clean	CHRNA7	27	43
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccnc3)C2)cc1	ZINC000852455807	GD	On-Demand	Clean	C3AR1	19	40
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccnc3)C2)cc1	ZINC000852455807	GD	On-Demand	Clean	MCHR1	16	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc(OC)cc(OC)c3)C2)cc1	ZINC000852455823	GG	On-Demand	Clean	MTNR1A	16	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc(OC)cc(OC)c3)C2)cc1	ZINC000852455823	GG	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cc(OC)cc(OC)c3)C2)cc1	ZINC000852455823	GG	On-Demand	Clean	MCHR1	21	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(Cl)c3)C2)cc1	ZINC000852455825	GF	On-Demand	Reactive	DRD4	50	43
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(Cl)c3)C2)cc1	ZINC000852455825	GF	On-Demand	Reactive	DRD3	20	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(Cl)c3)C2)cc1	ZINC000852455825	GF	On-Demand	Reactive	F10	17	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(Cl)c3)C2)cc1	ZINC000852455825	GF	On-Demand	Reactive	CCR2	15	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(Cl)c3)C2)cc1	ZINC000852455825	GF	On-Demand	Reactive	SLC6A5	24	42
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)c3cccc(Cl)c3)C2)cc1	ZINC000852455825	GF	On-Demand	Reactive	MCHR1	25	44
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CC3)C2)cc1	ZINC000852455837	EC	On-Demand	Clean	MTNR1A	25	53
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CC3)C2)cc1	ZINC000852455837	EC	On-Demand	Clean	MTNR1B	23	53
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CC3)C2)cc1	ZINC000852455837	EC	On-Demand	Clean	CCR2	25	44
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NC3CC3)C2)cc1	ZINC000852455837	EC	On-Demand	Clean	MCHR1	17	44
COc1ccc(OCCN(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852455872	GG	On-Demand	Clean	MCHR1	15	43
COc1ccc(OCCN(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1	ZINC000852455873	GG	On-Demand	Clean	MCHR1	15	43
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OC(C)C)CC3)C2)cc1	ZINC000852455904	FF	On-Demand	Clean	EPHX2	18	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)Nc3ccccc3)C2)cc1	ZINC000852455919	GF	On-Demand	Clean	CCR3	20	43
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)Nc3ccccc3)C2)cc1	ZINC000852455919	GF	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)Nc3ccccc3)C2)cc1	ZINC000852455919	GF	On-Demand	Clean	EPHX2	28	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)Nc3ccccc3)C2)cc1	ZINC000852455919	GF	On-Demand	Clean	MCHR1	19	45
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)Nc3ccccc3)C2)cc1	ZINC000852455921	GF	On-Demand	Clean	CCR3	20	43
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)Nc3ccccc3)C2)cc1	ZINC000852455921	GF	On-Demand	Clean	MTNR1B	17	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)Nc3ccccc3)C2)cc1	ZINC000852455921	GF	On-Demand	Clean	EPHX2	28	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(=O)Nc3ccccc3)C2)cc1	ZINC000852455921	GF	On-Demand	Clean	MCHR1	19	45
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(O)CCCc4ccccc43)C2)cc1	ZINC000852455934	GF	On-Demand	Clean	MTNR1A	24	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(O)CCCc4ccccc43)C2)cc1	ZINC000852455934	GF	On-Demand	Clean	MTNR1B	27	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CCCc4ccccc43)C2)cc1	ZINC000852455939	GF	On-Demand	Clean	MTNR1A	24	43
COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CCCc4ccccc43)C2)cc1	ZINC000852455939	GF	On-Demand	Clean	MTNR1B	27	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc([S@](C)=O)cc3)C2)cc1	ZINC000852455947	GF	On-Demand	Clean	MCHR1	15	50
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc([S@](C)=O)cc3)C2)cc1	ZINC000852455947	GF	On-Demand	Clean	PROKR1	42	30
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc([S@@](C)=O)cc3)C2)cc1	ZINC000852455949	GF	On-Demand	Clean	MCHR1	15	50
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc([S@@](C)=O)cc3)C2)cc1	ZINC000852455949	GF	On-Demand	Clean	PROKR1	42	30
COc1ccc(N2CC[C@H](NC(=O)NC[C@@](C)(O)c3ccc(F)cc3)C2)cc1	ZINC000852455962	GF	On-Demand	Clean	CACNA1G	33	42
COc1ccc(N2CC[C@H](NC(=O)NC[C@](C)(O)c3ccc(F)cc3)C2)cc1	ZINC000852455968	GF	On-Demand	Clean	CACNA1G	33	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(O)cc3)C2)cc1	ZINC000852455983	EE	On-Demand	Clean	MTNR1A	16	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(O)cc3)C2)cc1	ZINC000852455983	EE	On-Demand	Clean	MTNR1B	16	47
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(O)cc3)C2)cc1	ZINC000852455983	EE	On-Demand	Clean	EPHX2	16	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(O)cc3)C2)cc1	ZINC000852455983	EE	On-Demand	Clean	MCHR1	20	52
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OC(C)(C)C)CC3)C2)cc1	ZINC000852455996	GG	On-Demand	Clean	EPHX2	20	44
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3C)C2)cc1	ZINC000852456000	FF	On-Demand	Clean	EDNRB	24	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3C)C2)cc1	ZINC000852456000	FF	On-Demand	Clean	CTSA	45	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3C)C2)cc1	ZINC000852456002	FF	On-Demand	Clean	EDNRB	24	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3C)C2)cc1	ZINC000852456002	FF	On-Demand	Clean	CTSA	45	35
COc1ccc(N2CC[C@H](NC(=O)N3CCC(c4cn[nH]c4)CC3)C2)cc1	ZINC000852456007	FF	On-Demand	Clean	NPBWR1	40	31
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852456029	GC	On-Demand	Clean	MMP13	36	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852456029	GC	On-Demand	Clean	MMP2	16	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852456029	GC	On-Demand	Clean	MMP3	34	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852456029	GC	On-Demand	Clean	MMP1	30	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852456034	GC	On-Demand	Clean	MMP13	36	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852456034	GC	On-Demand	Clean	MMP2	16	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852456034	GC	On-Demand	Clean	MMP3	34	42
COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)C2)cc1	ZINC000852456034	GC	On-Demand	Clean	MMP1	30	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3O)C2)cc1	ZINC000852456059	EE	On-Demand	Clean	SIGMAR1	18	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3O)C2)cc1	ZINC000852456059	EE	On-Demand	Clean	MTNR1A	30	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3O)C2)cc1	ZINC000852456059	EE	On-Demand	Clean	MTNR1B	23	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3O)C2)cc1	ZINC000852456059	EE	On-Demand	Clean	EPHX2	29	42
COc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3O)C2)cc1	ZINC000852456059	EE	On-Demand	Clean	MCHR1	18	46
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C2)cc1	ZINC000852456064	FD	On-Demand	Clean	MMP13	41	37
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)C2)cc1	ZINC000852456066	FD	On-Demand	Clean	MMP13	41	37
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccsc3)C2)cc1	ZINC000852456073	FD	On-Demand	Reactive	NPBWR1	78	35
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1	ZINC000852456094	ED	On-Demand	Clean	MMP13	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1	ZINC000852456095	ED	On-Demand	Clean	MMP13	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1	ZINC000852456096	ED	On-Demand	Clean	MMP13	15	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1	ZINC000852456097	ED	On-Demand	Clean	MMP13	15	40
Cc1cnc(CN[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cn1	ZINC000852456110	FE	On-Demand	Anodyne	TPP2	51	32
Cc1cnc(CN[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)cn1	ZINC000852456111	FE	On-Demand	Anodyne	TPP2	51	32
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	DRD2	20	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	DRD4	32	45
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	HTR2A	15	45
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	DRD3	21	44
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	SIGMAR1	27	52
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	MTNR1A	18	55
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	MTNR1B	19	55
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	EPHX2	45	55
COc1ccc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456124	GG	On-Demand	Clean	MCHR1	22	45
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3cccnc3)C2)cc1	ZINC000852456134	FG	On-Demand	Clean	KCNA5	18	40
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)c3cccnc3)C2)cc1	ZINC000852456134	FG	On-Demand	Clean	C3AR1	34	42
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3cccnc3)C2)cc1	ZINC000852456135	FG	On-Demand	Clean	KCNA5	18	40
COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)c3cccnc3)C2)cc1	ZINC000852456135	FG	On-Demand	Clean	C3AR1	34	42
COc1ccc(N2CC[C@H](NC(=O)N(C)CC3CC3)C2)cc1	ZINC000852456148	DE	On-Demand	Clean	MCHR1	15	44
COc1ccc(N2CC[C@H](NC(=O)N3CCC(OCCC(C)C)CC3)C2)cc1	ZINC000852456163	GH	On-Demand	Clean	EPHX2	21	42
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456174	GE	On-Demand	Clean	MTNR1A	22	47
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456174	GE	On-Demand	Clean	MTNR1B	20	47
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456175	GE	On-Demand	Clean	MTNR1A	22	47
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456175	GE	On-Demand	Clean	MTNR1B	20	47
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456176	GE	On-Demand	Clean	MTNR1A	22	47
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456176	GE	On-Demand	Clean	MTNR1B	20	47
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456177	GE	On-Demand	Clean	MTNR1A	22	47
CCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456177	GE	On-Demand	Clean	MTNR1B	20	47
O=C(N1C[C@H](NCc2noc(C3CC3)n2)Cc2ccccc21)C(F)(F)F	ZINC000852456178	FF	On-Demand	Anodyne	ETHR	41	35
O=C(N1C[C@@H](NCc2noc(C3CC3)n2)Cc2ccccc21)C(F)(F)F	ZINC000852456179	FF	On-Demand	Anodyne	ETHR	41	35
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cc(C)on4)CC3)C2)cc1	ZINC000852456180	GE	On-Demand	Clean	PDK1	44	38
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cc(C)on4)CC3)C2)cc1	ZINC000852456180	GE	On-Demand	Clean	MCHR1	20	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1COc1ccccc1	ZINC000852456286	GF	On-Demand	Anodyne	CPT1A	47	34
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1COc1ccccc1	ZINC000852456286	GF	On-Demand	Anodyne	CHRNA10	72	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1COc1ccccc1	ZINC000852456287	GF	On-Demand	Anodyne	CPT1A	47	34
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1COc1ccccc1	ZINC000852456287	GF	On-Demand	Anodyne	CHRNA10	72	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3Cl)C2)cc1	ZINC000852456319	FH	On-Demand	Clean	DRD4	40	32
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3Cl)C2)cc1	ZINC000852456319	FH	On-Demand	Clean	SIGMAR1	16	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3Cl)C2)cc1	ZINC000852456319	FH	On-Demand	Clean	MCHR1	16	40
CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456447	DF	On-Demand	Clean	MTNR1B	17	51
CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456447	DF	On-Demand	Clean	EPHX2	20	46
CC[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456447	DF	On-Demand	Clean	MCHR1	15	41
CC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456454	DF	On-Demand	Clean	MTNR1B	17	51
CC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456454	DF	On-Demand	Clean	EPHX2	20	46
CC[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1	ZINC000852456454	DF	On-Demand	Clean	MCHR1	15	41
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852456499	GG	On-Demand	Clean	COLA	115	44
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])C2)cc1	ZINC000852456499	GG	On-Demand	Clean	MMP1	20	45
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	DRD4	26	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	SIGMAR1	24	47
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MMP13	17	40
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MTNR1A	54	47
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MTNR1B	50	47
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MMP2	19	41
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MMP3	27	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MMP9	17	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	EPHX2	15	46
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MMP7	15	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MMP1	20	43
COc1ccc(N2CC[C@H](NC(=O)NCC(=O)NCCc3ccccc3)C2)cc1	ZINC000852456506	GD	On-Demand	Clean	MCHR1	25	47
COc1ccc(N2CC[C@H](NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000852456521	GF	On-Demand	Clean	CTSL	15	42
COc1ccc(N2CC[C@H](NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000852456521	GF	On-Demand	Clean	PROKR1	41	30
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccc(F)cc3)C2)cc1	ZINC000852456531	FG	On-Demand	Clean	CCR3	36	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccc(F)cc3)C2)cc1	ZINC000852456531	FG	On-Demand	Clean	MCHR1	22	48
CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852456537	FH	On-Demand	Clean	DRD4	24	41
CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852456537	FH	On-Demand	Clean	SIGMAR1	26	47
CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852456537	FH	On-Demand	Clean	MCHR1	23	43
CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852456539	FH	On-Demand	Clean	DRD4	24	41
CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852456539	FH	On-Demand	Clean	SIGMAR1	26	47
CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852456539	FH	On-Demand	Clean	MCHR1	23	43
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	DRD2	20	44
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	DRD4	59	51
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	DRD3	36	46
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	CTSL	25	48
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	MTNR1A	23	48
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	MTNR1B	18	48
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	CTSS	17	48
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	CCR2	28	45
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	MCHR1	26	46
COc1ccc(N2CC[C@H](NC(=O)NCCNC(=O)c3cccc(C)c3)C2)cc1	ZINC000852456541	GE	On-Demand	Clean	KCNK3	47	39
COc1ccc(N2CC[C@H](NC(=O)N3CCOC4(CCCC4)C3)C2)cc1	ZINC000852456545	FF	On-Demand	Clean	EPHX2	15	41
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3OC)C2)cc1	ZINC000852456551	GE	On-Demand	Clean	DRD4	22	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3OC)C2)cc1	ZINC000852456552	GE	On-Demand	Clean	DRD4	22	40
COc1ccc(N2CC[C@H](NC(=O)N(C)CCc3ccccc3F)C2)cc1	ZINC000852456555	FG	On-Demand	Clean	MCHR1	17	41
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](c4ccsc4)C3)C2)cc1	ZINC000852456572	GG	On-Demand	Clean	NPBWR1	88	38
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](c4ccsc4)C3)C2)cc1	ZINC000852456573	GG	On-Demand	Clean	NPBWR1	88	38
COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCOC4(CCC4)C3)C2)cc1	ZINC000852456577	FF	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCOC4(CCC4)C3)C2)cc1	ZINC000852456578	FF	On-Demand	Clean	MTNR1B	15	44
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(C)c3)C2)cc1	ZINC000852456589	FF	On-Demand	Clean	MTNR1A	20	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(C)c3)C2)cc1	ZINC000852456589	FF	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)c3cccc(C)c3)C2)cc1	ZINC000852456589	FF	On-Demand	Clean	CYP3A4	40	36
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(C)c3)C2)cc1	ZINC000852456590	FF	On-Demand	Clean	MTNR1A	20	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(C)c3)C2)cc1	ZINC000852456590	FF	On-Demand	Clean	MTNR1B	17	48
COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)c3cccc(C)c3)C2)cc1	ZINC000852456590	FF	On-Demand	Clean	CYP3A4	40	36
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3C)C2)cc1	ZINC000852456599	GE	On-Demand	Reactive	SIGMAR1	15	44
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3C)C2)cc1	ZINC000852456599	GE	On-Demand	Reactive	CCR3	15	41
COc1ccc(N2CC[C@H](NC(=O)NNC(=O)Cc3ccccc3C)C2)cc1	ZINC000852456599	GE	On-Demand	Reactive	MTNR1A	15	48
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)cc1	ZINC000852456615	GF	On-Demand	Clean	DRD4	28	41
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)cc1	ZINC000852456615	GF	On-Demand	Clean	SIGMAR1	22	44
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)cc1	ZINC000852456615	GF	On-Demand	Clean	CCR3	24	43
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](Cc4ccccc4)C3)C2)cc1	ZINC000852456615	GF	On-Demand	Clean	MCHR1	18	40
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)cc1	ZINC000852456617	GF	On-Demand	Clean	DRD4	28	41
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)cc1	ZINC000852456617	GF	On-Demand	Clean	SIGMAR1	22	44
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)cc1	ZINC000852456617	GF	On-Demand	Clean	CCR3	24	43
COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](Cc4ccccc4)C3)C2)cc1	ZINC000852456617	GF	On-Demand	Clean	MCHR1	18	40
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(O)c3)C2)cc1	ZINC000852456640	FF	On-Demand	Clean	DRD4	43	36
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(O)c3)C2)cc1	ZINC000852456640	FF	On-Demand	Clean	SIGMAR1	17	41
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(O)c3)C2)cc1	ZINC000852456640	FF	On-Demand	Clean	MTNR1A	71	50
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(O)c3)C2)cc1	ZINC000852456640	FF	On-Demand	Clean	MTNR1B	61	50
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(O)c3)C2)cc1	ZINC000852456640	FF	On-Demand	Clean	EPHX2	15	42
COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(O)c3)C2)cc1	ZINC000852456640	FF	On-Demand	Clean	MCHR1	23	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc4c(c3)OCCO4)C2)cc1	ZINC000852456654	GF	On-Demand	Clean	EDNRB	61	41
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc4c(c3)OCCO4)C2)cc1	ZINC000852456654	GF	On-Demand	Clean	EDNRA	52	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc4c(c3)OCCO4)C2)cc1	ZINC000852456654	GF	On-Demand	Clean	BMP1	67	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3ccc4c(c3)OCCO4)C2)cc1	ZINC000852456654	GF	On-Demand	Clean	MCHR1	30	48
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	HTR1A	18	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	DRD2	17	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	DRD4	25	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	DRD3	20	42
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	HTR7	20	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	SIGMAR1	16	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	MTNR1A	16	52
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	MTNR1B	20	52
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	MMP2	17	40
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	SSTR1	42	34
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	EPHX2	23	47
COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1	ZINC000852456687	GF	On-Demand	Clean	NPBWR1	60	33
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(F)c3)C2)cc1	ZINC000852456688	FE	On-Demand	Clean	CCR3	29	40
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(F)c3)C2)cc1	ZINC000852456688	FE	On-Demand	Clean	MTNR1A	16	49
COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)c3cccc(F)c3)C2)cc1	ZINC000852456688	FE	On-Demand	Clean	MTNR1B	19	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3cccc(F)c3)C2)cc1	ZINC000852456690	FE	On-Demand	Clean	CCR3	29	40
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3cccc(F)c3)C2)cc1	ZINC000852456690	FE	On-Demand	Clean	MTNR1A	16	49
COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)c3cccc(F)c3)C2)cc1	ZINC000852456690	FE	On-Demand	Clean	MTNR1B	19	49
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2F)C1	ZINC000852456859	FF	On-Demand	Anodyne	RBP4	78	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2F)C1	ZINC000852456860	FF	On-Demand	Anodyne	RBP4	78	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2F)C1	ZINC000852456861	FF	On-Demand	Anodyne	RBP4	78	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2F)C1	ZINC000852456862	FF	On-Demand	Anodyne	RBP4	78	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2cccc(F)c2F)CC1	ZINC000852456907	GE	On-Demand	Anodyne	DRD3	24	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2cccc(F)c2F)CC1	ZINC000852456908	GE	On-Demand	Anodyne	DRD3	24	41
O=C(NCC[S@](=O)CC(F)(F)F)NCC1CCN(CC2CC2)CC1	ZINC000852457014	FD	On-Demand	Anodyne	CACNA1I	48	37
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1CCN(CC2CC2)CC1	ZINC000852457015	FD	On-Demand	Anodyne	CACNA1I	48	37
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C2)c1	ZINC000852457020	GF	On-Demand	Anodyne	DRD4	44	35
COc1cccc([C@]2(C)CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C2)c1	ZINC000852457021	GF	On-Demand	Anodyne	DRD4	44	35
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(Cl)c3)C2)cc1	ZINC000852457162	FH	On-Demand	Clean	DRD2	15	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(Cl)c3)C2)cc1	ZINC000852457162	FH	On-Demand	Clean	DRD4	42	36
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(Cl)c3)C2)cc1	ZINC000852457162	FH	On-Demand	Clean	DRD3	17	43
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(Cl)c3)C2)cc1	ZINC000852457162	FH	On-Demand	Clean	SIGMAR1	18	42
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(Cl)c3)C2)cc1	ZINC000852457162	FH	On-Demand	Clean	MTNR1A	17	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(Cl)c3)C2)cc1	ZINC000852457162	FH	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(Cl)c3)C2)cc1	ZINC000852457162	FH	On-Demand	Clean	MCHR1	33	45
Cc1cc(F)ccc1C1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852457220	GG	On-Demand	Anodyne	TACR1	25	41
Cc1cc(F)ccc1C1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852457221	GG	On-Demand	Anodyne	TACR1	25	41
COc1ccc2c(CN3CCC[C@@H](C)[C@H]3CCO)cc(=O)oc2c1	ZINC000852457226	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCC[C@@H](C)[C@H]3CCO)cc(=O)oc2c1	ZINC000852457226	EF	On-Demand	Anodyne	MAOB	21	49
COc1ccc2c(CN3CCC[C@@H](C)[C@@H]3CCO)cc(=O)oc2c1	ZINC000852457227	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCC[C@@H](C)[C@@H]3CCO)cc(=O)oc2c1	ZINC000852457227	EF	On-Demand	Anodyne	MAOB	21	49
COc1ccc2c(CN3CCC[C@H](C)[C@@H]3CCO)cc(=O)oc2c1	ZINC000852457228	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCC[C@H](C)[C@@H]3CCO)cc(=O)oc2c1	ZINC000852457228	EF	On-Demand	Anodyne	MAOB	21	49
COc1ccc2c(CN3CCC[C@H](C)[C@H]3CCO)cc(=O)oc2c1	ZINC000852457229	EF	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN3CCC[C@H](C)[C@H]3CCO)cc(=O)oc2c1	ZINC000852457229	EF	On-Demand	Anodyne	MAOB	21	49
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(C)c(F)c3)C2)cc1	ZINC000852457354	FG	On-Demand	Clean	MCHR1	23	48
COc1ccc(N2CC[C@H](NC(=O)N(C)CCOc3ccccc3F)C2)cc1	ZINC000852457356	GG	On-Demand	Clean	CCR3	17	43
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccccc4C3)C2)cc1	ZINC000852457373	FG	On-Demand	Clean	MTNR1A	19	46
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccccc4C3)C2)cc1	ZINC000852457373	FG	On-Demand	Clean	MTNR1B	23	46
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccccc4C3)C2)cc1	ZINC000852457373	FG	On-Demand	Clean	HDAC6	26	42
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccccc4C3)C2)cc1	ZINC000852457373	FG	On-Demand	Clean	NOD2	25	40
COc1ccc(N2CC[C@H](NC(=O)N3CCc4ccccc4C3)C2)cc1	ZINC000852457373	FG	On-Demand	Clean	TRPC6	15	45
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(F)c3)C2)cc1	ZINC000852457374	FG	On-Demand	Clean	SIGMAR1	16	40
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(F)c3)C2)cc1	ZINC000852457374	FG	On-Demand	Clean	CCR5	48	35
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(F)c3)C2)cc1	ZINC000852457374	FG	On-Demand	Clean	MTNR1A	16	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(F)c3)C2)cc1	ZINC000852457374	FG	On-Demand	Clean	MTNR1B	15	48
COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cccc(F)c3)C2)cc1	ZINC000852457374	FG	On-Demand	Clean	MCHR1	24	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cc(C)no4)CC3)C2)cc1	ZINC000852457386	GE	On-Demand	Clean	PDK1	43	37
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4cc(C)no4)CC3)C2)cc1	ZINC000852457386	GE	On-Demand	Clean	MCHR1	17	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Oc2ncccc2F)CC1	ZINC000852457424	GE	On-Demand	Anodyne	EPHX2	18	44
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Oc2ncccc2F)CC1	ZINC000852457424	GE	On-Demand	Anodyne	SCD	19	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Oc2ncccc2F)CC1	ZINC000852457425	GE	On-Demand	Anodyne	EPHX2	18	44
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Oc2ncccc2F)CC1	ZINC000852457425	GE	On-Demand	Anodyne	SCD	19	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC2(CCC2)C1	ZINC000852457442	DD	On-Demand	Anodyne	EPHX2	21	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC2(CCC2)C1	ZINC000852457443	DD	On-Demand	Anodyne	EPHX2	21	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2cccc(Cl)c2)CC1	ZINC000852457476	GH	On-Demand	Anodyne	EPHX2	18	47
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2cccc(Cl)c2)CC1	ZINC000852457476	GH	On-Demand	Anodyne	RBP4	33	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2cccc(Cl)c2)CC1	ZINC000852457477	GH	On-Demand	Anodyne	EPHX2	18	47
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2cccc(Cl)c2)CC1	ZINC000852457477	GH	On-Demand	Anodyne	RBP4	33	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H](Oc2ccccc2)C1	ZINC000852457478	GF	On-Demand	Anodyne	EPHX2	26	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H](Oc2ccccc2)C1	ZINC000852457479	GF	On-Demand	Anodyne	EPHX2	26	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H](Oc2ccccc2)C1	ZINC000852457480	GF	On-Demand	Anodyne	EPHX2	26	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H](Oc2ccccc2)C1	ZINC000852457481	GF	On-Demand	Anodyne	EPHX2	26	41
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	HTR1A	30	41
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	DRD2	33	41
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	DRD4	44	36
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	HRH2	17	40
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	HTR2A	23	43
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	HTR2C	15	40
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	DRD3	60	41
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	HTR7	28	41
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	SIGMAR1	19	42
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	CCR3	36	43
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	EBP	35	42
COc1ccc(N2CC[C@H](NC(=O)NCCCN3CCC(C)CC3)C2)cc1	ZINC000852457519	FF	On-Demand	Clean	MCHR1	20	49
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852457557	GE	On-Demand	Anodyne	RBP4	69	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852457557	GE	On-Demand	Anodyne	SFRP1	89	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852457557	GE	On-Demand	Anodyne	WNT3	65	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852457558	GE	On-Demand	Anodyne	RBP4	69	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852457558	GE	On-Demand	Anodyne	SFRP1	89	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852457558	GE	On-Demand	Anodyne	WNT3	65	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852457559	GE	On-Demand	Anodyne	RBP4	69	37
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852457559	GE	On-Demand	Anodyne	SFRP1	89	36
CN(c1ccccc1)[C@@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852457559	GE	On-Demand	Anodyne	WNT3	65	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852457560	GE	On-Demand	Anodyne	RBP4	69	37
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852457560	GE	On-Demand	Anodyne	SFRP1	89	36
CN(c1ccccc1)[C@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852457560	GE	On-Demand	Anodyne	WNT3	65	36
COC(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c(F)c1	ZINC000852457579	GD	On-Demand	Anodyne	BDKRB1	18	40
COC(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c(F)c1	ZINC000852457580	GD	On-Demand	Anodyne	BDKRB1	18	40
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3)C2)cc1	ZINC000852457581	FG	On-Demand	Clean	DRD4	28	45
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3)C2)cc1	ZINC000852457581	FG	On-Demand	Clean	SIGMAR1	23	44
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3)C2)cc1	ZINC000852457581	FG	On-Demand	Clean	MTNR1A	15	46
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3)C2)cc1	ZINC000852457581	FG	On-Demand	Clean	MTNR1B	15	46
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3)C2)cc1	ZINC000852457581	FG	On-Demand	Clean	SLC6A5	30	43
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3)C2)cc1	ZINC000852457581	FG	On-Demand	Clean	EPHX2	25	41
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3)C2)cc1	ZINC000852457581	FG	On-Demand	Clean	MCHR1	34	52
COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cc3)C2)cc1	ZINC000852457581	FG	On-Demand	Clean	PROKR1	53	37
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2cccc(Cl)c2)C1	ZINC000852457640	GG	On-Demand	Anodyne	EPHX2	19	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2cccc(Cl)c2)C1	ZINC000852457641	GG	On-Demand	Anodyne	EPHX2	19	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2cccc(Cl)c2)C1	ZINC000852457642	GG	On-Demand	Anodyne	EPHX2	19	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2cccc(Cl)c2)C1	ZINC000852457643	GG	On-Demand	Anodyne	EPHX2	19	42
COc1cnccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852457698	GD	On-Demand	Anodyne	HTR1A	32	42
COc1cnccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852457698	GD	On-Demand	Anodyne	DRD2	26	42
COc1cnccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852457698	GD	On-Demand	Anodyne	ADRA1D	26	40
COc1cnccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852457698	GD	On-Demand	Anodyne	HTR1B	17	42
COc1cnccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852457698	GD	On-Demand	Anodyne	ADRA1A	23	40
COc1cnccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852457698	GD	On-Demand	Anodyne	DRD3	41	38
COc1cnccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852457698	GD	On-Demand	Anodyne	PDGFRB	41	39
COc1cnccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852457699	GD	On-Demand	Anodyne	HTR1A	32	42
COc1cnccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852457699	GD	On-Demand	Anodyne	DRD2	26	42
COc1cnccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852457699	GD	On-Demand	Anodyne	ADRA1D	26	40
COc1cnccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852457699	GD	On-Demand	Anodyne	HTR1B	17	42
COc1cnccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852457699	GD	On-Demand	Anodyne	ADRA1A	23	40
COc1cnccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852457699	GD	On-Demand	Anodyne	DRD3	41	38
COc1cnccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852457699	GD	On-Demand	Anodyne	PDGFRB	41	39
COc1ccc(N2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)nc1	ZINC000852457727	GD	On-Demand	Anodyne	PDGFRB	40	36
COc1ccc(N2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)nc1	ZINC000852457728	GD	On-Demand	Anodyne	PDGFRB	40	36
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccccn4)CC3)C2)cc1	ZINC000852457749	GE	On-Demand	Clean	HTR1A	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccccn4)CC3)C2)cc1	ZINC000852457749	GE	On-Demand	Clean	DRD4	33	49
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccccn4)CC3)C2)cc1	ZINC000852457749	GE	On-Demand	Clean	HTR7	15	41
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccccn4)CC3)C2)cc1	ZINC000852457749	GE	On-Demand	Clean	SIGMAR1	20	43
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccccn4)CC3)C2)cc1	ZINC000852457749	GE	On-Demand	Clean	FAAH	15	44
COc1ccc(N2CC[C@H](NC(=O)N3CCN(Cc4ccccn4)CC3)C2)cc1	ZINC000852457749	GE	On-Demand	Clean	MCHR1	23	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2cccnc2)C1	ZINC000852457751	ED	On-Demand	Anodyne	NAMPT	40	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2cccnc2)C1	ZINC000852457752	ED	On-Demand	Anodyne	NAMPT	40	38
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2cccnc2)C1	ZINC000852457753	ED	On-Demand	Anodyne	NAMPT	40	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2cccnc2)C1	ZINC000852457754	ED	On-Demand	Anodyne	NAMPT	40	38
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2cccc(F)c2)C1	ZINC000852457919	FF	On-Demand	Anodyne	CCR5	79	35
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2cccc(F)c2)C1	ZINC000852457920	FF	On-Demand	Anodyne	CCR5	79	35
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2cccc(F)c2)C1	ZINC000852457921	FF	On-Demand	Anodyne	CCR5	79	35
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2cccc(F)c2)C1	ZINC000852457922	FF	On-Demand	Anodyne	CCR5	79	35
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852457987	GE	On-Demand	Anodyne	HTR1A	18	48
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852457987	GE	On-Demand	Anodyne	HTR1D	40	43
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852457987	GE	On-Demand	Anodyne	HTR1B	34	48
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852457987	GE	On-Demand	Anodyne	SLC6A4	21	52
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852457987	GE	On-Demand	Anodyne	MPO	108	52
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852457988	GE	On-Demand	Anodyne	HTR1A	18	48
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852457988	GE	On-Demand	Anodyne	HTR1D	40	43
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852457988	GE	On-Demand	Anodyne	HTR1B	34	48
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852457988	GE	On-Demand	Anodyne	SLC6A4	21	52
O=C(NCCc1c[nH]c2ccc(F)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852457988	GE	On-Demand	Anodyne	MPO	108	52
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1CCCc1ccccc1	ZINC000852458067	GG	On-Demand	Anodyne	FKBP1A	45	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1CCCc1ccccc1	ZINC000852458067	GG	On-Demand	Anodyne	SLC18A2	31	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1CCCc1ccccc1	ZINC000852458067	GG	On-Demand	Anodyne	PREP	59	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1CCCc1ccccc1	ZINC000852458068	GG	On-Demand	Anodyne	FKBP1A	45	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1CCCc1ccccc1	ZINC000852458068	GG	On-Demand	Anodyne	SLC18A2	31	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1CCCc1ccccc1	ZINC000852458068	GG	On-Demand	Anodyne	PREP	59	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1CCCc1ccccc1	ZINC000852458069	GG	On-Demand	Anodyne	FKBP1A	45	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1CCCc1ccccc1	ZINC000852458069	GG	On-Demand	Anodyne	SLC18A2	31	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1CCCc1ccccc1	ZINC000852458069	GG	On-Demand	Anodyne	PREP	59	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1CCCc1ccccc1	ZINC000852458070	GG	On-Demand	Anodyne	FKBP1A	45	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1CCCc1ccccc1	ZINC000852458070	GG	On-Demand	Anodyne	SLC18A2	31	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1CCCc1ccccc1	ZINC000852458070	GG	On-Demand	Anodyne	PREP	59	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Oc2cccc(F)c2)C1	ZINC000852458123	GE	On-Demand	Anodyne	MLNR	21	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Oc2cccc(F)c2)C1	ZINC000852458123	GE	On-Demand	Anodyne	EPHX2	21	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Oc2cccc(F)c2)C1	ZINC000852458124	GE	On-Demand	Anodyne	MLNR	21	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Oc2cccc(F)c2)C1	ZINC000852458124	GE	On-Demand	Anodyne	EPHX2	21	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Oc2cccc(F)c2)C1	ZINC000852458125	GE	On-Demand	Anodyne	MLNR	21	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Oc2cccc(F)c2)C1	ZINC000852458125	GE	On-Demand	Anodyne	EPHX2	21	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Oc2cccc(F)c2)C1	ZINC000852458126	GE	On-Demand	Anodyne	MLNR	21	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Oc2cccc(F)c2)C1	ZINC000852458126	GE	On-Demand	Anodyne	EPHX2	21	43
O=C(NCC[S@](=O)CC(F)(F)F)NCC(=O)OCc1ccccc1	ZINC000852458133	FD	On-Demand	Anodyne	NPR	47	33
O=C(NCC[S@@](=O)CC(F)(F)F)NCC(=O)OCc1ccccc1	ZINC000852458134	FD	On-Demand	Anodyne	NPR	47	33
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000852458139	GF	On-Demand	Anodyne	EPHX2	19	45
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000852458139	GF	On-Demand	Anodyne	SCD1	31	53
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000852458139	GF	On-Demand	Anodyne	SCD	26	44
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000852458140	GF	On-Demand	Anodyne	EPHX2	19	45
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000852458140	GF	On-Demand	Anodyne	SCD1	31	53
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000852458140	GF	On-Demand	Anodyne	SCD	26	44
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000852458141	GF	On-Demand	Anodyne	EPHX2	19	45
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000852458141	GF	On-Demand	Anodyne	SCD1	31	53
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000852458141	GF	On-Demand	Anodyne	SCD	26	44
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000852458142	GF	On-Demand	Anodyne	EPHX2	19	45
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000852458142	GF	On-Demand	Anodyne	SCD1	31	53
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000852458142	GF	On-Demand	Anodyne	SCD	26	44
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2ccccc2F)CC1	ZINC000852458215	GG	On-Demand	Anodyne	CCR3	21	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2ccccc2F)CC1	ZINC000852458216	GG	On-Demand	Anodyne	CCR3	21	42
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCCc2cc(F)ccc21	ZINC000852458279	FF	On-Demand	Anodyne	BDKRB1	42	35
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCCc2cc(F)ccc21	ZINC000852458280	FF	On-Demand	Anodyne	BDKRB1	42	35
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCCc2cc(F)ccc21	ZINC000852458281	FF	On-Demand	Anodyne	BDKRB1	42	35
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCCc2cc(F)ccc21	ZINC000852458282	FF	On-Demand	Anodyne	BDKRB1	42	35
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc(N2CCOCC2)n1	ZINC000852458570	GD	On-Demand	Anodyne	STAT6	53	33
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc(N2CCOCC2)n1	ZINC000852458571	GD	On-Demand	Anodyne	STAT6	53	33
O=C(NCCc1c[nH]c2cc(F)ccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852458574	GE	On-Demand	Anodyne	MPO	83	41
O=C(NCCc1c[nH]c2cc(F)ccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852458575	GE	On-Demand	Anodyne	MPO	83	41
COc1cccc([C@H]2CN(C(=O)NCC[S@@](=O)CC(F)(F)F)CCO2)c1	ZINC000852458714	GE	On-Demand	Anodyne	DRD4	43	33
COc1cccc([C@H]2CN(C(=O)NCC[S@](=O)CC(F)(F)F)CCO2)c1	ZINC000852458715	GE	On-Demand	Anodyne	DRD4	43	33
Cc1ccccc1[C@H](CO)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852458724	FD	On-Demand	Anodyne	CTSA	47	33
Cc1ccccc1[C@H](CO)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852458725	FD	On-Demand	Anodyne	CTSA	47	33
Cc1ccccc1[C@@H](CO)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852458726	FD	On-Demand	Anodyne	CTSA	47	33
Cc1ccccc1[C@@H](CO)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852458727	FD	On-Demand	Anodyne	CTSA	47	33
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccc(Cl)cc2)CC1	ZINC000852458732	GH	On-Demand	Anodyne	CACNA1H	46	37
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccc(Cl)cc2)CC1	ZINC000852458732	GH	On-Demand	Anodyne	CCR1	42	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccc(Cl)cc2)CC1	ZINC000852458732	GH	On-Demand	Anodyne	EPHX2	20	52
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccc(Cl)cc2)CC1	ZINC000852458733	GH	On-Demand	Anodyne	CACNA1H	46	37
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccc(Cl)cc2)CC1	ZINC000852458733	GH	On-Demand	Anodyne	CCR1	42	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccc(Cl)cc2)CC1	ZINC000852458733	GH	On-Demand	Anodyne	EPHX2	20	52
Cc1ccccc1[C@@H]1CCCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852458838	FG	On-Demand	Anodyne	WNT3	40	33
Cc1ccccc1[C@@H]1CCCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852458840	FG	On-Demand	Anodyne	WNT3	40	33
CCCCN1CCC(NC(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852458854	FD	On-Demand	Anodyne	EPHX2	29	45
CCCCN1CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852458855	FD	On-Demand	Anodyne	EPHX2	29	45
Cc1ccccc1C1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852458890	GG	On-Demand	Anodyne	RBP4	80	42
Cc1ccccc1C1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852458891	GG	On-Demand	Anodyne	RBP4	80	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccc(F)cn2)CC1	ZINC000852458914	GD	On-Demand	Anodyne	SLC27A1	40	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccc(F)cn2)CC1	ZINC000852458915	GD	On-Demand	Anodyne	SLC27A1	40	39
COc1cccc(C2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1	ZINC000852459004	GF	On-Demand	Anodyne	DRD4	45	35
COc1cccc(C2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1	ZINC000852459004	GF	On-Demand	Anodyne	CCR2	17	44
COc1cccc(C2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1	ZINC000852459004	GF	On-Demand	Anodyne	EPHX2	20	41
COc1cccc(C2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1	ZINC000852459004	GF	On-Demand	Anodyne	RBP4	40	40
COc1cccc(C2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1	ZINC000852459005	GF	On-Demand	Anodyne	DRD4	45	35
COc1cccc(C2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1	ZINC000852459005	GF	On-Demand	Anodyne	CCR2	17	44
COc1cccc(C2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1	ZINC000852459005	GF	On-Demand	Anodyne	EPHX2	20	41
COc1cccc(C2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1	ZINC000852459005	GF	On-Demand	Anodyne	RBP4	40	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ncccc2F)CC1	ZINC000852459012	GD	On-Demand	Anodyne	TRPV1	18	45
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ncccc2F)CC1	ZINC000852459013	GD	On-Demand	Anodyne	TRPV1	18	45
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2cccc(F)c2)C(=O)C1	ZINC000852459068	GD	On-Demand	Anodyne	P2RX7	15	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2cccc(F)c2)C(=O)C1	ZINC000852459069	GD	On-Demand	Anodyne	P2RX7	15	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccccn2)CC1	ZINC000852459094	FE	On-Demand	Anodyne	RBP4	44	37
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccccn2)CC1	ZINC000852459094	FE	On-Demand	Anodyne	ETHR	42	33
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccccn2)CC1	ZINC000852459095	FE	On-Demand	Anodyne	RBP4	44	37
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccccn2)CC1	ZINC000852459095	FE	On-Demand	Anodyne	ETHR	42	33
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCN([C@H]2CCCC[C@H]2O)CC1	ZINC000852459108	GD	On-Demand	Anodyne	SLC18A3	22	40
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	ZINC000852459109	GD	On-Demand	Anodyne	SLC18A3	22	40
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	ZINC000852459110	GD	On-Demand	Anodyne	SLC18A3	22	40
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	ZINC000852459111	GD	On-Demand	Anodyne	SLC18A3	22	40
CC(=O)Oc1ccc(CN2CCC[C@@H](C)[C@H]2CCO)cc1	ZINC000852459180	CF	On-Demand	Anodyne	LTA4H	21	40
CC(=O)Oc1ccc(CN2CCC[C@@H](C)[C@@H]2CCO)cc1	ZINC000852459181	CF	On-Demand	Anodyne	LTA4H	21	40
CC(=O)Oc1ccc(CN2CCC[C@H](C)[C@@H]2CCO)cc1	ZINC000852459182	CF	On-Demand	Anodyne	LTA4H	21	40
CC(=O)Oc1ccc(CN2CCC[C@H](C)[C@H]2CCO)cc1	ZINC000852459183	CF	On-Demand	Anodyne	LTA4H	21	40
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852459340	FG	On-Demand	Anodyne	TRPM8	15	44
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852459342	FG	On-Demand	Anodyne	TRPM8	15	44
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852459344	FG	On-Demand	Anodyne	TRPM8	15	44
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852459346	FG	On-Demand	Anodyne	TRPM8	15	44
O=C(NCC[S@@](=O)CC(F)(F)F)NC1CCN(C(=O)c2ccoc2)CC1	ZINC000852459379	GD	On-Demand	Anodyne	EPHX2	39	42
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCN(C(=O)c2ccoc2)CC1	ZINC000852459381	GD	On-Demand	Anodyne	EPHX2	39	42
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCC(c2ccc(F)cc2)CC1	ZINC000852459385	GG	On-Demand	Anodyne	EPHX2	27	40
O=C(NCC[S@@](=O)CC(F)(F)F)NC1CCC(c2ccc(F)cc2)CC1	ZINC000852459387	GG	On-Demand	Anodyne	EPHX2	27	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(N2CCOCC2)nc1	ZINC000852459418	GD	On-Demand	Anodyne	STAT6	54	33
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(N2CCOCC2)nc1	ZINC000852459418	GD	On-Demand	Anodyne	HPGDS	15	44
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(N2CCOCC2)nc1	ZINC000852459418	GD	On-Demand	Anodyne	NAMPT	15	41
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(N2CCOCC2)nc1	ZINC000852459419	GD	On-Demand	Anodyne	STAT6	54	33
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(N2CCOCC2)nc1	ZINC000852459419	GD	On-Demand	Anodyne	HPGDS	15	44
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(N2CCOCC2)nc1	ZINC000852459419	GD	On-Demand	Anodyne	NAMPT	15	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1c1ccccc1	ZINC000852459441	EF	On-Demand	Anodyne	PREP	19	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1c1ccccc1	ZINC000852459444	EF	On-Demand	Anodyne	PREP	19	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1c1ccccc1	ZINC000852459445	EF	On-Demand	Anodyne	PREP	19	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1c1ccccc1	ZINC000852459447	EF	On-Demand	Anodyne	PREP	19	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(COc2ccccc2)CC1	ZINC000852459480	GF	On-Demand	Anodyne	GRIN2B	31	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(COc2ccccc2)CC1	ZINC000852459480	GF	On-Demand	Anodyne	EPHX2	24	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(COc2ccccc2)CC1	ZINC000852459482	GF	On-Demand	Anodyne	GRIN2B	31	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(COc2ccccc2)CC1	ZINC000852459482	GF	On-Demand	Anodyne	EPHX2	24	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccccc2)CC1	ZINC000852459487	FF	On-Demand	Anodyne	SLC18A3	49	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccccc2)CC1	ZINC000852459487	FF	On-Demand	Anodyne	CCR2	23	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccccc2)CC1	ZINC000852459487	FF	On-Demand	Anodyne	EPHX2	31	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccccc2)CC1	ZINC000852459487	FF	On-Demand	Anodyne	RBP4	64	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccccc2)CC1	ZINC000852459489	FF	On-Demand	Anodyne	SLC18A3	49	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccccc2)CC1	ZINC000852459489	FF	On-Demand	Anodyne	CCR2	23	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccccc2)CC1	ZINC000852459489	FF	On-Demand	Anodyne	EPHX2	31	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccccc2)CC1	ZINC000852459489	FF	On-Demand	Anodyne	RBP4	64	40
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	EDNRA	18	42
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	TACR1	25	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	MC4R	21	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	CCKAR	70	40
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	BRS3	26	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	NMBR	51	32
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	GRPR	77	37
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	ECE1	43	38
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	CCKBR	38	40
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	GHSR	48	42
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	MC1R	45	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	MMP1	17	42
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459610	GD	On-Demand	Anodyne	KISS1R	70	33
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	EDNRA	18	42
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	TACR1	25	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	MC4R	21	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	CCKAR	70	40
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	BRS3	26	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	NMBR	51	32
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	GRPR	77	37
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	ECE1	43	38
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	CCKBR	38	40
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	GHSR	48	42
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	MC1R	45	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	MMP1	17	42
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459611	GD	On-Demand	Anodyne	KISS1R	70	33
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(Cc2cccnc2)CC1	ZINC000852459619	GD	On-Demand	Anodyne	CHRNA7	41	34
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(Cc2cccnc2)CC1	ZINC000852459619	GD	On-Demand	Anodyne	FAAH	24	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(Cc2cccnc2)CC1	ZINC000852459620	GD	On-Demand	Anodyne	CHRNA7	41	34
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(Cc2cccnc2)CC1	ZINC000852459620	GD	On-Demand	Anodyne	FAAH	24	43
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	EDNRA	18	42
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	TACR1	25	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	MC4R	21	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	CCKAR	70	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	BRS3	26	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	NMBR	51	32
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	GRPR	77	37
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	ECE1	43	38
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	CCKBR	38	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	GHSR	48	42
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	MC1R	45	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	MMP1	17	42
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459728	GD	On-Demand	Anodyne	KISS1R	70	33
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	EDNRA	18	42
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	TACR1	25	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	MC4R	21	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	CCKAR	70	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	BRS3	26	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	NMBR	51	32
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	GRPR	77	37
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	ECE1	43	38
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	CCKBR	38	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	GHSR	48	42
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	MC1R	45	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	MMP1	17	42
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H](CO)Cc1c[nH]c2ccccc12	ZINC000852459732	GD	On-Demand	Anodyne	KISS1R	70	33
COC[C@@H](Cc1ccccc1)N(C)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852459785	GE	On-Demand	Anodyne	NPY5R	16	41
COC[C@H](Cc1ccccc1)N(C)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852459786	GE	On-Demand	Anodyne	NPY5R	16	41
COC[C@@H](Cc1ccccc1)N(C)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852459787	GE	On-Demand	Anodyne	NPY5R	16	41
COC[C@H](Cc1ccccc1)N(C)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852459788	GE	On-Demand	Anodyne	NPY5R	16	41
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](C)[C@H]2CCO)c1	ZINC000852459789	ED	On-Demand	Reactive	KCNK3	45	35
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](C)[C@H]2CCO)c1	ZINC000852459790	ED	On-Demand	Reactive	KCNK3	45	35
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](C)[C@@H]2CCO)c1	ZINC000852459791	ED	On-Demand	Reactive	KCNK3	45	35
Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](C)[C@@H]2CCO)c1	ZINC000852459792	ED	On-Demand	Reactive	KCNK3	45	35
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCCN(c2ncccc2F)CC1	ZINC000852459799	GD	On-Demand	Anodyne	TRPV1	16	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCCN(c2ncccc2F)CC1	ZINC000852459800	GD	On-Demand	Anodyne	TRPV1	16	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(Cc2cccc(F)c2)CC1	ZINC000852459801	GD	On-Demand	Anodyne	CCR3	27	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(Cc2cccc(F)c2)CC1	ZINC000852459801	GD	On-Demand	Anodyne	FAAH	20	48
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(Cc2cccc(F)c2)CC1	ZINC000852459801	GD	On-Demand	Anodyne	CACNA1G	25	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(Cc2cccc(F)c2)CC1	ZINC000852459802	GD	On-Demand	Anodyne	CCR3	27	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(Cc2cccc(F)c2)CC1	ZINC000852459802	GD	On-Demand	Anodyne	FAAH	20	48
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(Cc2cccc(F)c2)CC1	ZINC000852459802	GD	On-Demand	Anodyne	CACNA1G	25	43
COc1cc(N2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)ncn1	ZINC000852459807	GC	On-Demand	Anodyne	PDGFRB	44	36
COc1cc(N2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)ncn1	ZINC000852459808	GC	On-Demand	Anodyne	PDGFRB	44	36
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1Cc1ccccc1	ZINC000852459847	FF	On-Demand	Anodyne	PREP	43	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1Cc1ccccc1	ZINC000852459848	FF	On-Demand	Anodyne	PREP	43	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1Cc1ccccc1	ZINC000852459849	FF	On-Demand	Anodyne	PREP	43	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1Cc1ccccc1	ZINC000852459850	FF	On-Demand	Anodyne	PREP	43	41
COc1ccc(OC)c([C@H](O)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852459867	GD	On-Demand	Anodyne	MTNR1A	23	41
COc1ccc(OC)c([C@H](O)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852459869	GD	On-Demand	Anodyne	MTNR1A	23	41
C[C@H]1c2ccsc2CCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852459871	FF	On-Demand	Anodyne	TRPM8	15	44
C[C@H]1c2ccsc2CCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852459873	FF	On-Demand	Anodyne	TRPM8	15	44
N#Cc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852459875	GD	On-Demand	Mild	DRD2	18	43
N#Cc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852459876	GD	On-Demand	Mild	DRD2	18	43
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852459895	FD	On-Demand	Anodyne	ADRB1	29	44
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852459895	FD	On-Demand	Anodyne	ADRB3	42	44
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H](O)c1cccc(Cl)c1	ZINC000852459896	FD	On-Demand	Anodyne	ADRB1	29	44
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H](O)c1cccc(Cl)c1	ZINC000852459896	FD	On-Demand	Anodyne	ADRB3	42	44
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852459897	FD	On-Demand	Anodyne	ADRB1	29	44
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852459897	FD	On-Demand	Anodyne	ADRB3	42	44
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H](O)c1cccc(Cl)c1	ZINC000852459898	FD	On-Demand	Anodyne	ADRB1	29	44
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H](O)c1cccc(Cl)c1	ZINC000852459898	FD	On-Demand	Anodyne	ADRB3	42	44
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)NCc1ccccc1	ZINC000852459924	GD	On-Demand	Anodyne	ANPEP	34	47
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)NCc1ccccc1	ZINC000852459924	GD	On-Demand	Anodyne	CTSB	16	40
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)NCc1ccccc1	ZINC000852459924	GD	On-Demand	Anodyne	FURIN	49	38
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C(=O)NCc1ccccc1	ZINC000852459924	GD	On-Demand	Anodyne	AMP1_PLAFQ	44	40
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)NCc1ccccc1	ZINC000852459926	GD	On-Demand	Anodyne	ANPEP	34	47
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)NCc1ccccc1	ZINC000852459926	GD	On-Demand	Anodyne	CTSB	16	40
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)NCc1ccccc1	ZINC000852459926	GD	On-Demand	Anodyne	FURIN	49	38
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C(=O)NCc1ccccc1	ZINC000852459926	GD	On-Demand	Anodyne	AMP1_PLAFQ	44	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(OCc2ccccc2)CC1	ZINC000852459928	GF	On-Demand	Anodyne	GRIN2B	33	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(OCc2ccccc2)CC1	ZINC000852459930	GF	On-Demand	Anodyne	GRIN2B	33	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459961	EE	On-Demand	Anodyne	SLC18A3	46	38
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459961	EE	On-Demand	Anodyne	CCR2	22	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459961	EE	On-Demand	Anodyne	EPHX2	26	47
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459961	EE	On-Demand	Anodyne	RBP4	72	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459961	EE	On-Demand	Anodyne	ADAM10	20	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459963	EE	On-Demand	Anodyne	SLC18A3	46	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459963	EE	On-Demand	Anodyne	CCR2	22	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459963	EE	On-Demand	Anodyne	EPHX2	26	47
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459963	EE	On-Demand	Anodyne	RBP4	72	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459963	EE	On-Demand	Anodyne	ADAM10	20	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459965	EE	On-Demand	Anodyne	SLC18A3	46	38
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459965	EE	On-Demand	Anodyne	CCR2	22	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459965	EE	On-Demand	Anodyne	EPHX2	26	47
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459965	EE	On-Demand	Anodyne	RBP4	72	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccccc2)C1	ZINC000852459965	EE	On-Demand	Anodyne	ADAM10	20	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459967	EE	On-Demand	Anodyne	SLC18A3	46	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459967	EE	On-Demand	Anodyne	CCR2	22	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459967	EE	On-Demand	Anodyne	EPHX2	26	47
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459967	EE	On-Demand	Anodyne	RBP4	72	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccccc2)C1	ZINC000852459967	EE	On-Demand	Anodyne	ADAM10	20	40
COc1ccc2c(c1)CN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2	ZINC000852459972	FE	On-Demand	Anodyne	DRD4	44	34
COc1ccc2c(c1)CN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2	ZINC000852459974	FE	On-Demand	Anodyne	DRD4	44	34
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460013	GE	On-Demand	Anodyne	GRIN2B	42	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460013	GE	On-Demand	Anodyne	CHRNA7	52	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460013	GE	On-Demand	Anodyne	C3AR1	40	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460013	GE	On-Demand	Anodyne	ACHP_LYMST	25	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460013	GE	On-Demand	Anodyne	NAMPT	49	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460014	GE	On-Demand	Anodyne	GRIN2B	42	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460014	GE	On-Demand	Anodyne	CHRNA7	52	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460014	GE	On-Demand	Anodyne	C3AR1	40	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460014	GE	On-Demand	Anodyne	ACHP_LYMST	25	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2cccnc2)CC1	ZINC000852460014	GE	On-Demand	Anodyne	NAMPT	49	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852460015	GE	On-Demand	Anodyne	EPHX2	27	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852460016	GE	On-Demand	Anodyne	EPHX2	27	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852460031	GD	On-Demand	Anodyne	CCR1	16	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852460032	GD	On-Demand	Anodyne	CCR1	16	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852460033	GD	On-Demand	Anodyne	CCR1	16	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852460034	GD	On-Demand	Anodyne	CCR1	16	40
CCCCN(CC)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852460223	DE	On-Demand	Anodyne	EST1_PIG	28	41
CCCCN(CC)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852460225	DE	On-Demand	Anodyne	EST1_PIG	28	41
CS(=O)(=O)N[C@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852460326	FB	On-Demand	Anodyne	EPHX2	18	40
CS(=O)(=O)N[C@@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852460328	FB	On-Demand	Anodyne	EPHX2	18	40
CS(=O)(=O)N[C@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852460330	FB	On-Demand	Anodyne	EPHX2	18	40
CS(=O)(=O)N[C@@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852460332	FB	On-Demand	Anodyne	EPHX2	18	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000852460351	GG	On-Demand	Anodyne	CCR1	42	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000852460351	GG	On-Demand	Anodyne	EPHX2	20	47
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000852460353	GG	On-Demand	Anodyne	CCR1	42	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000852460353	GG	On-Demand	Anodyne	EPHX2	20	47
CCN(Cc1ccc2c(c1)OCO2)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852460354	GE	On-Demand	Anodyne	BMP1	40	38
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000852460355	GG	On-Demand	Anodyne	CCR1	42	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000852460355	GG	On-Demand	Anodyne	EPHX2	20	47
CCN(Cc1ccc2c(c1)OCO2)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852460356	GE	On-Demand	Anodyne	BMP1	40	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000852460357	GG	On-Demand	Anodyne	CCR1	42	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000852460357	GG	On-Demand	Anodyne	EPHX2	20	47
Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852460363	GH	On-Demand	Anodyne	ANPEP	24	41
Cc1ccccc1[C@H](CC(C)C)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852460365	GH	On-Demand	Anodyne	ANPEP	24	41
Cc1ccccc1[C@H](CC(C)C)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852460367	GH	On-Demand	Anodyne	ANPEP	24	41
Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852460369	GH	On-Demand	Anodyne	ANPEP	24	41
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(CN2CCCC2)cc1	ZINC000852460370	GE	On-Demand	Anodyne	HRH2	25	44
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(CN2CCCC2)cc1	ZINC000852460370	GE	On-Demand	Anodyne	F2R	49	32
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(CN2CCCC2)cc1	ZINC000852460370	GE	On-Demand	Anodyne	NPFFR1	43	36
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(CN2CCCC2)cc1	ZINC000852460372	GE	On-Demand	Anodyne	HRH2	25	44
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(CN2CCCC2)cc1	ZINC000852460372	GE	On-Demand	Anodyne	F2R	49	32
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(CN2CCCC2)cc1	ZINC000852460372	GE	On-Demand	Anodyne	NPFFR1	43	36
O=C(NCCNC(=O)c1ccccc1Cl)NCC[S@@](=O)CC(F)(F)F	ZINC000852460374	GD	On-Demand	Anodyne	ECR	42	37
O=C(NCCNC(=O)c1ccccc1Cl)NCC[S@](=O)CC(F)(F)F	ZINC000852460375	GD	On-Demand	Anodyne	ECR	42	37
CCCCCNC(=O)C1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852460475	GE	On-Demand	Anodyne	ASAH1	56	33
CCCCCNC(=O)C1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852460477	GE	On-Demand	Anodyne	ASAH1	56	33
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2cccc(F)c2)CC1	ZINC000852460479	GG	On-Demand	Anodyne	GRIN2B	46	46
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2cccc(F)c2)CC1	ZINC000852460479	GG	On-Demand	Anodyne	CCR3	64	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2cccc(F)c2)CC1	ZINC000852460481	GG	On-Demand	Anodyne	GRIN2B	46	46
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2cccc(F)c2)CC1	ZINC000852460481	GG	On-Demand	Anodyne	CCR3	64	41
COc1ccccc1[C@H](CC(C)C)NC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852460493	GG	On-Demand	Anodyne	ANPEP	24	44
COc1ccccc1[C@H](CC(C)C)NC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852460495	GG	On-Demand	Anodyne	ANPEP	24	44
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC2(CC1)OCCO2	ZINC000852460512	EF	On-Demand	Anodyne	CACNA1H	42	35
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC2(CC1)OCCO2	ZINC000852460513	EF	On-Demand	Anodyne	CACNA1H	42	35
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2Cl)CC1	ZINC000852460532	GE	On-Demand	Anodyne	HTR1A	20	44
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2Cl)CC1	ZINC000852460532	GE	On-Demand	Anodyne	DRD2	30	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2Cl)CC1	ZINC000852460532	GE	On-Demand	Anodyne	DRD3	58	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2Cl)CC1	ZINC000852460532	GE	On-Demand	Anodyne	RBP4	17	44
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2Cl)CC1	ZINC000852460533	GE	On-Demand	Anodyne	HTR1A	20	44
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2Cl)CC1	ZINC000852460533	GE	On-Demand	Anodyne	DRD2	30	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2Cl)CC1	ZINC000852460533	GE	On-Demand	Anodyne	DRD3	58	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2Cl)CC1	ZINC000852460533	GE	On-Demand	Anodyne	RBP4	17	44
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@@H](c2ccnn2C)C1	ZINC000852460555	FG	On-Demand	Anodyne	CCR3	60	36
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H](c2ccnn2C)C1	ZINC000852460556	FG	On-Demand	Anodyne	CCR3	60	36
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@H](c2ccnn2C)C1	ZINC000852460557	FG	On-Demand	Anodyne	CCR3	60	36
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC[C@H](c2ccnn2C)C1	ZINC000852460558	FG	On-Demand	Anodyne	CCR3	60	36
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852460571	GE	On-Demand	Anodyne	HTR1A	31	45
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852460571	GE	On-Demand	Anodyne	HTR2A	22	45
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852460571	GE	On-Demand	Anodyne	DRD3	22	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852460571	GE	On-Demand	Anodyne	HTR7	22	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852460572	GE	On-Demand	Anodyne	HTR1A	31	45
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852460572	GE	On-Demand	Anodyne	HTR2A	22	45
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852460572	GE	On-Demand	Anodyne	DRD3	22	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852460572	GE	On-Demand	Anodyne	HTR7	22	40
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(c2ccccc2)CCCC1	ZINC000852460579	GG	On-Demand	Anodyne	KCNA3	42	36
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(c2ccccc2)CCCC1	ZINC000852460580	GG	On-Demand	Anodyne	KCNA3	42	36
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC[C@H](O)c1cccc(F)c1	ZINC000852460589	EG	On-Demand	Anodyne	ADRB2	42	35
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000852460590	EG	On-Demand	Anodyne	ADRB2	42	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000852460591	EG	On-Demand	Anodyne	ADRB2	42	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@H](O)c1cccc(F)c1	ZINC000852460592	EG	On-Demand	Anodyne	ADRB2	42	35
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(Cl)cc1Cl	ZINC000852460610	GG	On-Demand	Anodyne	P2RX7	53	44
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccc(Cl)cc1Cl	ZINC000852460610	GG	On-Demand	Anodyne	EPHX2	18	47
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(Cl)cc1Cl	ZINC000852460611	GG	On-Demand	Anodyne	P2RX7	53	44
O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccc(Cl)cc1Cl	ZINC000852460611	GG	On-Demand	Anodyne	EPHX2	18	47
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852460738	GG	On-Demand	Anodyne	SLC18A3	48	37
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852460738	GG	On-Demand	Anodyne	CCR2	18	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852460738	GG	On-Demand	Anodyne	EPHX2	26	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852460738	GG	On-Demand	Anodyne	RBP4	44	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1	ZINC000852460740	GG	On-Demand	Anodyne	SLC18A3	48	37
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1	ZINC000852460740	GG	On-Demand	Anodyne	CCR2	18	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1	ZINC000852460740	GG	On-Demand	Anodyne	EPHX2	26	41
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1	ZINC000852460740	GG	On-Demand	Anodyne	RBP4	44	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1	ZINC000852460742	GG	On-Demand	Anodyne	SLC18A3	48	37
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1	ZINC000852460742	GG	On-Demand	Anodyne	CCR2	18	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1	ZINC000852460742	GG	On-Demand	Anodyne	EPHX2	26	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H](c2ccccc2)CC1	ZINC000852460742	GG	On-Demand	Anodyne	RBP4	44	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852460744	GG	On-Demand	Anodyne	SLC18A3	48	37
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852460744	GG	On-Demand	Anodyne	CCR2	18	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852460744	GG	On-Demand	Anodyne	EPHX2	26	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852460744	GG	On-Demand	Anodyne	RBP4	44	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCCN(Cc2ccccc2)CC1	ZINC000852460912	GE	On-Demand	Anodyne	ACHE	26	50
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCCN(Cc2ccccc2)CC1	ZINC000852460912	GE	On-Demand	Anodyne	FAAH	20	49
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCCN(Cc2ccccc2)CC1	ZINC000852460912	GE	On-Demand	Anodyne	NPFFR1	42	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CCCN(Cc2ccccc2)CC1	ZINC000852460913	GE	On-Demand	Anodyne	ACHE	26	50
O=C(NCC[S@](=O)CC(F)(F)F)N1CCCN(Cc2ccccc2)CC1	ZINC000852460913	GE	On-Demand	Anodyne	FAAH	20	49
O=C(NCC[S@](=O)CC(F)(F)F)N1CCCN(Cc2ccccc2)CC1	ZINC000852460913	GE	On-Demand	Anodyne	NPFFR1	42	38
O=C(NCC[S@@](=O)CC(F)(F)F)NCc1cccc(N2CCOC2=O)c1	ZINC000852460920	GD	On-Demand	Anodyne	CARM1	40	34
O=C(NCC[S@](=O)CC(F)(F)F)NCc1cccc(N2CCOC2=O)c1	ZINC000852460921	GD	On-Demand	Anodyne	CARM1	40	34
O=C(NCC[S@@](=O)CC(F)(F)F)NC1CCN(c2ccccc2)CC1	ZINC000852460928	GE	On-Demand	Anodyne	DRD3	15	45
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCN(c2ccccc2)CC1	ZINC000852460929	GE	On-Demand	Anodyne	DRD3	15	45
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Cc2ccccc2)C1	ZINC000852461073	FF	On-Demand	Anodyne	GRIN2B	65	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Cc2ccccc2)C1	ZINC000852461073	FF	On-Demand	Anodyne	CCR3	51	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Cc2ccccc2)C1	ZINC000852461074	FF	On-Demand	Anodyne	GRIN2B	65	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Cc2ccccc2)C1	ZINC000852461074	FF	On-Demand	Anodyne	CCR3	51	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Cc2ccccc2)C1	ZINC000852461075	FF	On-Demand	Anodyne	GRIN2B	65	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Cc2ccccc2)C1	ZINC000852461075	FF	On-Demand	Anodyne	CCR3	51	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Cc2ccccc2)C1	ZINC000852461076	FF	On-Demand	Anodyne	GRIN2B	65	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Cc2ccccc2)C1	ZINC000852461076	FF	On-Demand	Anodyne	CCR3	51	43
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852461077	GF	On-Demand	Anodyne	TPR	15	46
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852461077	GF	On-Demand	Anodyne	CCKAR	41	37
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852461077	GF	On-Demand	Anodyne	MPO	64	40
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852461077	GF	On-Demand	Anodyne	NMBR	43	32
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852461077	GF	On-Demand	Anodyne	MC1R	45	35
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852461077	GF	On-Demand	Anodyne	KISS1R	58	32
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852461078	GF	On-Demand	Anodyne	TPR	15	46
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852461078	GF	On-Demand	Anodyne	CCKAR	41	37
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852461078	GF	On-Demand	Anodyne	MPO	64	40
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852461078	GF	On-Demand	Anodyne	NMBR	43	32
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852461078	GF	On-Demand	Anodyne	MC1R	45	35
O=C(NCCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852461078	GF	On-Demand	Anodyne	KISS1R	58	32
O=C(NCCc1ccc2ccccc2c1)NCC[S@@](=O)CC(F)(F)F	ZINC000852461184	FF	On-Demand	Anodyne	RAF1	16	41
O=C(NCCc1ccc2ccccc2c1)NCC[S@](=O)CC(F)(F)F	ZINC000852461185	FF	On-Demand	Anodyne	RAF1	16	41
COc1ccccc1[C@@H]1CCCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461271	GF	On-Demand	Anodyne	HCRTR2	20	42
COc1ccccc1[C@H]1CCCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461272	GF	On-Demand	Anodyne	HCRTR2	20	42
COc1ccccc1[C@H]1CCCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461273	GF	On-Demand	Anodyne	HCRTR2	20	42
COc1ccccc1[C@@H]1CCCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461274	GF	On-Demand	Anodyne	HCRTR2	20	42
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	HTR1A	16	49
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	HTR1D	46	49
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	HTR1B	39	49
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	NQO2	39	47
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	MPO	66	40
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	HTR1E	15	42
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	MTNR1A	95	73
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	MTNR1B	72	63
COc1ccc2[nH]cc(CCNC(=O)NCC[S@@](=O)CC(F)(F)F)c2c1	ZINC000852461287	GE	On-Demand	Anodyne	ABCG2	27	44
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	HTR1A	16	49
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	HTR1D	46	49
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	HTR1B	39	49
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	NQO2	39	47
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	MPO	66	40
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	HTR1E	15	42
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	MTNR1A	95	73
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	MTNR1B	72	63
COc1ccc2[nH]cc(CCNC(=O)NCC[S@](=O)CC(F)(F)F)c2c1	ZINC000852461288	GE	On-Demand	Anodyne	ABCG2	27	44
CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461329	GF	On-Demand	Anodyne	MT-ND1	19	42
CCN(Cc1ccc(OC)c(OC)c1)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461330	GF	On-Demand	Anodyne	MT-ND1	19	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1CCc1ccccc1	ZINC000852461331	GG	On-Demand	Anodyne	FKBP1A	34	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1CCc1ccccc1	ZINC000852461331	GG	On-Demand	Anodyne	SLC18A2	43	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1CCc1ccccc1	ZINC000852461331	GG	On-Demand	Anodyne	PREP	55	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1CCc1ccccc1	ZINC000852461332	GG	On-Demand	Anodyne	FKBP1A	34	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1CCc1ccccc1	ZINC000852461332	GG	On-Demand	Anodyne	SLC18A2	43	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1CCc1ccccc1	ZINC000852461332	GG	On-Demand	Anodyne	PREP	55	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1CCc1ccccc1	ZINC000852461333	GG	On-Demand	Anodyne	FKBP1A	34	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1CCc1ccccc1	ZINC000852461333	GG	On-Demand	Anodyne	SLC18A2	43	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1CCc1ccccc1	ZINC000852461333	GG	On-Demand	Anodyne	PREP	55	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1CCc1ccccc1	ZINC000852461334	GG	On-Demand	Anodyne	FKBP1A	34	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1CCc1ccccc1	ZINC000852461334	GG	On-Demand	Anodyne	SLC18A2	43	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1CCc1ccccc1	ZINC000852461334	GG	On-Demand	Anodyne	PREP	55	40
CCN(Cc1ccccc1)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461335	EF	On-Demand	Anodyne	PTGES	15	44
CCN(Cc1ccccc1)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461335	EF	On-Demand	Anodyne	LIMK2	21	42
CCN(Cc1ccccc1)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461336	EF	On-Demand	Anodyne	PTGES	15	44
CCN(Cc1ccccc1)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461336	EF	On-Demand	Anodyne	LIMK2	21	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000852461356	GG	On-Demand	Anodyne	GRIN2B	48	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000852461356	GG	On-Demand	Anodyne	CCR3	97	48
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000852461357	GG	On-Demand	Anodyne	GRIN2B	48	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1	ZINC000852461357	GG	On-Demand	Anodyne	CCR3	97	48
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	CA2	36	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	CA1	30	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	CA7	21	41
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	CA5B	48	37
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	CA4	31	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	CA5A	50	37
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	CA12	21	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	P96878_MYCTU	20	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461363	GC	On-Demand	Anodyne	NAMPT	15	40
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	CA2	36	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	CA1	30	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	CA7	21	41
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	CA5B	48	37
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	CA4	31	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	CA5A	50	37
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	CA12	21	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	P96878_MYCTU	20	43
NS(=O)(=O)c1cccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461364	GC	On-Demand	Anodyne	NAMPT	15	40
COc1cccc(C[C@@H]2CCCN2C(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461395	GF	On-Demand	Anodyne	FKBP1A	21	44
COc1cccc(C[C@@H]2CCCN2C(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461395	GF	On-Demand	Anodyne	DRD4	43	34
COc1cccc(C[C@@H]2CCCN2C(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461396	GF	On-Demand	Anodyne	FKBP1A	21	44
COc1cccc(C[C@@H]2CCCN2C(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461396	GF	On-Demand	Anodyne	DRD4	43	34
COc1ccnc(N2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1	ZINC000852461411	GD	On-Demand	Anodyne	DRD4	43	35
COc1ccnc(N2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1	ZINC000852461411	GD	On-Demand	Anodyne	PDGFRB	41	35
COc1ccnc(N2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1	ZINC000852461413	GD	On-Demand	Anodyne	DRD4	43	35
COc1ccnc(N2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1	ZINC000852461413	GD	On-Demand	Anodyne	PDGFRB	41	35
COc1cccc([C@H](O)CNC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461459	FD	On-Demand	Anodyne	DRD4	40	32
COc1cccc([C@H](O)CNC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461460	FD	On-Demand	Anodyne	DRD4	40	32
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(-c2ccncc2)cc1	ZINC000852461497	GG	On-Demand	Anodyne	CTSK	17	44
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(-c2ccncc2)cc1	ZINC000852461498	GG	On-Demand	Anodyne	CTSK	17	44
N#Cc1cccnc1NCCNC(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461658	FC	On-Demand	Mild	ADRB1	42	33
N#Cc1cccnc1NCCNC(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461659	FC	On-Demand	Mild	ADRB1	42	33
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	CHRM2	15	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	CHRM1	15	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	DRD2	17	53
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	DRD4	38	55
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	ACHE	38	46
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	DRD3	16	51
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	CHRM3	22	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	SIGMAR1	39	47
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	CCR3	50	48
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	CCR2	31	49
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	SLC6A5	25	44
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	MCHR1	32	48
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461660	GD	On-Demand	Anodyne	CACNA1G	33	40
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	CHRM2	15	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	CHRM1	15	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	DRD2	17	53
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	DRD4	38	55
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	ACHE	38	46
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	DRD3	16	51
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	CHRM3	22	41
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	SIGMAR1	39	47
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	CCR3	50	48
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	CCR2	31	49
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	SLC6A5	25	44
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	MCHR1	32	48
O=C(NCC[S@@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461661	GD	On-Demand	Anodyne	CACNA1G	33	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	CHRM2	15	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	CHRM1	15	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	DRD2	17	53
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	DRD4	38	55
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	ACHE	38	46
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	DRD3	16	51
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	CHRM3	22	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	SIGMAR1	39	47
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	CCR3	50	48
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	CCR2	31	49
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	SLC6A5	25	44
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	MCHR1	32	48
O=C(NCC[S@](=O)CC(F)(F)F)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852461662	GD	On-Demand	Anodyne	CACNA1G	33	40
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	CHRM2	15	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	CHRM1	15	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	DRD2	17	53
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	DRD4	38	55
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	ACHE	38	46
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	DRD3	16	51
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	CHRM3	22	41
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	SIGMAR1	39	47
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	CCR3	50	48
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	CCR2	31	49
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	SLC6A5	25	44
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	MCHR1	32	48
O=C(NCC[S@](=O)CC(F)(F)F)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852461663	GD	On-Demand	Anodyne	CACNA1G	33	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](N2CCCCC2)C1	ZINC000852461723	FD	On-Demand	Anodyne	L3MBTL3	81	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](N2CCCCC2)C1	ZINC000852461725	FD	On-Demand	Anodyne	L3MBTL3	81	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](N2CCCCC2)C1	ZINC000852461727	FD	On-Demand	Anodyne	L3MBTL3	81	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](N2CCCCC2)C1	ZINC000852461729	FD	On-Demand	Anodyne	L3MBTL3	81	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](COCc2ccccc2)C1	ZINC000852461809	GF	On-Demand	Anodyne	GRIN2B	45	38
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](COCc2ccccc2)C1	ZINC000852461811	GF	On-Demand	Anodyne	GRIN2B	45	38
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](COCc2ccccc2)C1	ZINC000852461813	GF	On-Demand	Anodyne	GRIN2B	45	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](COCc2ccccc2)C1	ZINC000852461815	GF	On-Demand	Anodyne	GRIN2B	45	38
COc1ccc(O)c([C@@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461826	FE	On-Demand	Clean	THRB	41	34
COc1ccc(O)c([C@@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461828	FE	On-Demand	Clean	THRB	41	34
COc1ccc(O)c([C@H](C)NC(=O)NCC[S@@](=O)CC(F)(F)F)c1	ZINC000852461829	FE	On-Demand	Clean	THRB	41	34
COc1ccc(O)c([C@H](C)NC(=O)NCC[S@](=O)CC(F)(F)F)c1	ZINC000852461830	FE	On-Demand	Clean	THRB	41	34
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461919	FG	On-Demand	Anodyne	UTS2	41	32
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461920	FG	On-Demand	Anodyne	UTS2	41	32
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461921	FG	On-Demand	Anodyne	UTS2	41	32
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461922	FG	On-Demand	Anodyne	UTS2	41	32
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H](O)COc1cccc(F)c1	ZINC000852461933	GD	On-Demand	Anodyne	ADRB1	50	37
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H](O)COc1cccc(F)c1	ZINC000852461933	GD	On-Demand	Anodyne	PDS	44	38
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H](O)COc1cccc(F)c1	ZINC000852461934	GD	On-Demand	Anodyne	ADRB1	50	37
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H](O)COc1cccc(F)c1	ZINC000852461934	GD	On-Demand	Anodyne	PDS	44	38
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H](O)COc1cccc(F)c1	ZINC000852461935	GD	On-Demand	Anodyne	ADRB1	50	37
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H](O)COc1cccc(F)c1	ZINC000852461935	GD	On-Demand	Anodyne	PDS	44	38
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H](O)COc1cccc(F)c1	ZINC000852461936	GD	On-Demand	Anodyne	ADRB1	50	37
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H](O)COc1cccc(F)c1	ZINC000852461936	GD	On-Demand	Anodyne	PDS	44	38
COc1ccccc1C[C@H]1CCCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461949	GF	On-Demand	Anodyne	ACKR3	61	31
COc1ccccc1C[C@H]1CCCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461950	GF	On-Demand	Anodyne	ACKR3	61	31
COc1ccccc1C[C@@H]1CCCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852461951	GF	On-Demand	Anodyne	ACKR3	61	31
COc1ccccc1C[C@@H]1CCCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852461952	GF	On-Demand	Anodyne	ACKR3	61	31
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(Cc2ccncc2)CC1	ZINC000852461969	GD	On-Demand	Anodyne	FAAH	17	46
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(Cc2ccncc2)CC1	ZINC000852461970	GD	On-Demand	Anodyne	FAAH	17	46
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1	ZINC000852461971	GF	On-Demand	Anodyne	CCR3	53	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1	ZINC000852461972	GF	On-Demand	Anodyne	CCR3	53	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1	ZINC000852461973	GF	On-Demand	Anodyne	CCR3	53	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1	ZINC000852461974	GF	On-Demand	Anodyne	CCR3	53	35
COc1ccc2c(CN3C[C@@]4(C)COC[C@@]4(C)C3)cc(=O)oc2c1	ZINC000852461983	EF	On-Demand	Anodyne	CYP19A1	16	54
COc1ccc2c(CN3C[C@@]4(C)COC[C@@]4(C)C3)cc(=O)oc2c1	ZINC000852461983	EF	On-Demand	Anodyne	CYP11B1	18	45
COc1ccc2c(CN3C[C@@]4(C)COC[C@@]4(C)C3)cc(=O)oc2c1	ZINC000852461983	EF	On-Demand	Anodyne	MAOB	32	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852461991	GH	On-Demand	Anodyne	GPR119	15	42
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852461992	GH	On-Demand	Anodyne	GPR119	15	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2)CC1	ZINC000852461998	FD	On-Demand	Anodyne	HTR1A	21	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2)CC1	ZINC000852461999	FD	On-Demand	Anodyne	HTR1A	21	43
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1	ZINC000852462002	FD	On-Demand	Reactive	CCR3	45	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)[C@H]1CCc2nncn2C1	ZINC000852462003	FD	On-Demand	Reactive	CCR3	45	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)[C@H]1CCc2nncn2C1	ZINC000852462004	FD	On-Demand	Reactive	CCR3	45	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CCc2nncn2C1	ZINC000852462005	FD	On-Demand	Reactive	CCR3	45	33
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	HTR1A	106	52
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	DRD2	80	52
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	DRD1	21	45
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	DRD4	46	49
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	ADRA1D	87	45
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	HTR1D	17	52
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	HTR1B	24	52
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	HTR2A	29	45
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	ADRA1A	83	46
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	ADRA1B	67	45
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	DRD3	93	48
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	PDGFRB	41	37
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	HTR7	67	45
COc1ccccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462024	GD	On-Demand	Anodyne	RBP4	25	48
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	HTR1A	106	52
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	DRD2	80	52
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	DRD1	21	45
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	DRD4	46	49
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	ADRA1D	87	45
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	HTR1D	17	52
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	HTR1B	24	52
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	HTR2A	29	45
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	ADRA1A	83	46
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	ADRA1B	67	45
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	DRD3	93	48
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	PDGFRB	41	37
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	HTR7	67	45
COc1ccccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462025	GD	On-Demand	Anodyne	RBP4	25	48
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Oc2ccc(F)cc2)CC1	ZINC000852462121	GF	On-Demand	Anodyne	CCR3	19	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(Oc2ccc(F)cc2)CC1	ZINC000852462121	GF	On-Demand	Anodyne	EPHX2	38	44
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Oc2ccc(F)cc2)CC1	ZINC000852462123	GF	On-Demand	Anodyne	CCR3	19	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(Oc2ccc(F)cc2)CC1	ZINC000852462123	GF	On-Demand	Anodyne	EPHX2	38	44
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852462174	GG	On-Demand	Anodyne	ADRA1A	45	37
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852462176	GG	On-Demand	Anodyne	ADRA1A	45	37
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852462177	GG	On-Demand	Anodyne	ADRA1A	45	37
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852462178	GG	On-Demand	Anodyne	ADRA1A	45	37
N#Cc1cccnc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462267	GD	On-Demand	Mild	P2RY12	15	42
N#Cc1cccnc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462267	GD	On-Demand	Mild	TRPV1	15	52
N#Cc1cccnc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462269	GD	On-Demand	Mild	P2RY12	15	42
N#Cc1cccnc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462269	GD	On-Demand	Mild	TRPV1	15	52
CC(C)(C)OC(=O)N1CCC(CCN2C[C@@]3(C)COC[C@@]3(C)C2)CC1	ZINC000852462286	FG	On-Demand	Anodyne	GPR119	34	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852462334	GD	On-Demand	Anodyne	HTR1A	17	45
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852462334	GD	On-Demand	Anodyne	DRD2	21	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852462334	GD	On-Demand	Anodyne	DRD3	40	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852462334	GD	On-Demand	Anodyne	NPY2R	41	35
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852462336	GD	On-Demand	Anodyne	HTR1A	17	45
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852462336	GD	On-Demand	Anodyne	DRD2	21	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852462336	GD	On-Demand	Anodyne	DRD3	40	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccc2F)CC1	ZINC000852462336	GD	On-Demand	Anodyne	NPY2R	41	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852462338	GG	On-Demand	Anodyne	P2RX7	28	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852462338	GG	On-Demand	Anodyne	CCR3	45	35
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852462342	GG	On-Demand	Anodyne	P2RX7	28	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(N2CCCNC2=O)cc1	ZINC000852462342	GG	On-Demand	Anodyne	CCR3	45	35
C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)CC1	ZINC000852462348	FE	On-Demand	Mild	EPHX2	20	42
C#CCNC(=O)C1CCN(C(=O)N[C@H](C)Cc2ccc(F)cc2C)CC1	ZINC000852462349	FE	On-Demand	Mild	EPHX2	20	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852462424	GH	On-Demand	Anodyne	EPHX2	20	45
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852462426	GH	On-Demand	Anodyne	EPHX2	20	45
COc1ccccc1[C@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852462435	GF	On-Demand	Anodyne	DRD2	28	42
COc1ccccc1[C@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852462435	GF	On-Demand	Anodyne	DRD4	21	41
COc1ccccc1[C@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852462435	GF	On-Demand	Anodyne	RBP4	80	45
COc1ccccc1[C@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852462437	GF	On-Demand	Anodyne	DRD2	28	42
COc1ccccc1[C@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852462437	GF	On-Demand	Anodyne	DRD4	21	41
COc1ccccc1[C@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852462437	GF	On-Demand	Anodyne	RBP4	80	45
COc1ccccc1[C@@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852462439	GF	On-Demand	Anodyne	DRD2	28	42
COc1ccccc1[C@@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852462439	GF	On-Demand	Anodyne	DRD4	21	41
COc1ccccc1[C@@H]1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C1	ZINC000852462439	GF	On-Demand	Anodyne	RBP4	80	45
COc1ccccc1[C@@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852462442	GF	On-Demand	Anodyne	DRD2	28	42
COc1ccccc1[C@@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852462442	GF	On-Demand	Anodyne	DRD4	21	41
COc1ccccc1[C@@H]1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)C1	ZINC000852462442	GF	On-Demand	Anodyne	RBP4	80	45
CCOC(=O)N1CCC(NC(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852462443	FD	On-Demand	Anodyne	EPHX2	34	42
CCOC(=O)N1CCC(NC(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852462445	FD	On-Demand	Anodyne	EPHX2	34	42
C[C@H](C(=O)Nc1cccnc1Cl)N1C[C@@]2(C)COC[C@@]2(C)C1	ZINC000852462450	DE	On-Demand	Anodyne	G2YM83_BOTF4	75	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1Cc1ccc(F)cc1	ZINC000852462476	GF	On-Demand	Anodyne	CCR3	62	38
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1Cc1ccc(F)cc1	ZINC000852462477	GF	On-Demand	Anodyne	CCR3	62	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1Cc1ccc(F)cc1	ZINC000852462479	GF	On-Demand	Anodyne	CCR3	62	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1Cc1ccc(F)cc1	ZINC000852462480	GF	On-Demand	Anodyne	CCR3	62	38
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Cc2ccc(F)cc2)C1	ZINC000852462509	GF	On-Demand	Anodyne	GRIN2B	35	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@@H](Cc2ccc(F)cc2)C1	ZINC000852462509	GF	On-Demand	Anodyne	CCR3	126	39
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Cc2ccc(F)cc2)C1	ZINC000852462510	GF	On-Demand	Anodyne	GRIN2B	35	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CC[C@H](Cc2ccc(F)cc2)C1	ZINC000852462510	GF	On-Demand	Anodyne	CCR3	126	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Cc2ccc(F)cc2)C1	ZINC000852462511	GF	On-Demand	Anodyne	GRIN2B	35	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@H](Cc2ccc(F)cc2)C1	ZINC000852462511	GF	On-Demand	Anodyne	CCR3	126	39
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Cc2ccc(F)cc2)C1	ZINC000852462512	GF	On-Demand	Anodyne	GRIN2B	35	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CC[C@@H](Cc2ccc(F)cc2)C1	ZINC000852462512	GF	On-Demand	Anodyne	CCR3	126	39
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N(C)Cc1c(C)noc1C	ZINC000852462554	EH	On-Demand	Anodyne	P2RX7	17	56
Cc1cc(F)ccc1C[C@H](C)NC(=O)N(C)Cc1c(C)noc1C	ZINC000852462555	EH	On-Demand	Anodyne	P2RX7	17	56
CCOC(=O)N(C)C1CCN(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)CC1	ZINC000852462578	GG	On-Demand	Anodyne	DPP4	15	40
CCOC(=O)N(C)C1CCN(C(=O)N[C@H](C)Cc2ccc(F)cc2C)CC1	ZINC000852462580	GG	On-Demand	Anodyne	DPP4	15	40
CC[C@@H](C(=O)NNC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccccc1	ZINC000852462625	GD	On-Demand	Reactive	KCNQ2	33	40
CC[C@@H](C(=O)NNC(=O)NCC[S@](=O)CC(F)(F)F)c1ccccc1	ZINC000852462626	GD	On-Demand	Reactive	KCNQ2	33	40
C[C@H]1c2ccccc2CCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852462657	EF	On-Demand	Anodyne	TRPM8	35	41
C[C@H]1c2ccccc2CCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852462660	EF	On-Demand	Anodyne	TRPM8	35	41
Cc1noc(C2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)n1	ZINC000852462693	FD	On-Demand	Anodyne	ETHR	75	41
Cc1noc(C2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)n1	ZINC000852462694	FD	On-Demand	Anodyne	ETHR	75	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852462705	FF	On-Demand	Reactive	CCR3	41	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852462709	FF	On-Demand	Reactive	CCR3	41	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)CC(C)C	ZINC000852462734	DE	On-Demand	Reactive	P2RX7	20	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)CC(C)C	ZINC000852462735	DE	On-Demand	Reactive	P2RX7	20	40
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA2	102	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA1	88	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA7	49	49
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA5B	45	45
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA4	68	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA5A	46	45
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA14	47	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA12	69	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CA9	72	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	CYNT	43	45
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	NCE103	24	42
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	MTCA1	48	49
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	P96878_MYCTU	60	49
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@@](=O)CC(F)(F)F)cc1	ZINC000852462736	GC	On-Demand	Anodyne	A6YCJ1_9METZ	24	40
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA2	102	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA1	88	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA7	49	49
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA5B	45	45
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA4	68	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA5A	46	45
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA14	47	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA12	69	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CA9	72	52
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	CYNT	43	45
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	NCE103	24	42
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	MTCA1	48	49
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	P96878_MYCTU	60	49
NS(=O)(=O)c1ccc(CNC(=O)NCC[S@](=O)CC(F)(F)F)cc1	ZINC000852462737	GC	On-Demand	Anodyne	A6YCJ1_9METZ	24	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N(C)Cc1c(C)nn(C)c1C	ZINC000852462738	EG	On-Demand	Anodyne	P2RX7	23	47
Cc1cc(F)ccc1C[C@H](C)NC(=O)N(C)Cc1c(C)nn(C)c1C	ZINC000852462739	EG	On-Demand	Anodyne	P2RX7	23	47
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@H]1CCCc2cn(C(C)C)nc21	ZINC000852462740	FI	On-Demand	Anodyne	CCR3	46	31
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21	ZINC000852462741	FI	On-Demand	Anodyne	CCR3	46	31
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21	ZINC000852462742	FI	On-Demand	Anodyne	CCR3	46	31
Cc1cc(F)ccc1C[C@H](C)NC(=O)N[C@H]1CCCc2cn(C(C)C)nc21	ZINC000852462743	FI	On-Demand	Anodyne	CCR3	46	31
O=C(NCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852462745	FE	On-Demand	Anodyne	TACR1	15	42
O=C(NCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852462745	FE	On-Demand	Anodyne	CCKAR	27	42
O=C(NCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852462745	FE	On-Demand	Anodyne	MPO	39	40
O=C(NCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852462745	FE	On-Demand	Anodyne	BRS3	26	41
O=C(NCCc1c[nH]c2ccccc12)NCC[S@](=O)CC(F)(F)F	ZINC000852462745	FE	On-Demand	Anodyne	NMBR	63	33
O=C(NCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852462746	FE	On-Demand	Anodyne	TACR1	15	42
O=C(NCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852462746	FE	On-Demand	Anodyne	CCKAR	27	42
O=C(NCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852462746	FE	On-Demand	Anodyne	MPO	39	40
O=C(NCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852462746	FE	On-Demand	Anodyne	BRS3	26	41
O=C(NCCc1c[nH]c2ccccc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852462746	FE	On-Demand	Anodyne	NMBR	63	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCCNc1ncccc1C#N	ZINC000852462753	FF	On-Demand	Mild	ADRB1	44	36
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCCNc1ncccc1C#N	ZINC000852462754	FF	On-Demand	Mild	ADRB1	44	36
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(CCc2ccccc2)CC1	ZINC000852462825	GD	On-Demand	Anodyne	SIGMAR1	31	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(CCc2ccccc2)CC1	ZINC000852462825	GD	On-Demand	Anodyne	CACNA1G	17	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(CCc2ccccc2)CC1	ZINC000852462827	GD	On-Demand	Anodyne	SIGMAR1	31	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(CCc2ccccc2)CC1	ZINC000852462827	GD	On-Demand	Anodyne	CACNA1G	17	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)C1CCC1	ZINC000852462828	DE	On-Demand	Reactive	P2RX7	21	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)C1CCC1	ZINC000852462828	DE	On-Demand	Reactive	CCR3	46	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)C1CCC1	ZINC000852462830	DE	On-Demand	Reactive	P2RX7	21	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)C1CCC1	ZINC000852462830	DE	On-Demand	Reactive	CCR3	46	34
CCOC(=O)N1CCC(NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)CC1	ZINC000852462887	FF	On-Demand	Anodyne	CCR3	40	31
CCOC(=O)N1CCC(NC(=O)N[C@H](C)Cc2ccc(F)cc2C)CC1	ZINC000852462889	FF	On-Demand	Anodyne	CCR3	40	31
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H](Cc2ccccc2)C1	ZINC000852463049	GF	On-Demand	Anodyne	CCR3	66	44
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H](Cc2ccccc2)C1	ZINC000852463051	GF	On-Demand	Anodyne	CCR3	66	44
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H](Cc2ccccc2)C1	ZINC000852463052	GF	On-Demand	Anodyne	CCR3	66	44
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H](Cc2ccccc2)C1	ZINC000852463053	GF	On-Demand	Anodyne	CCR3	66	44
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](C)[C@@H]2CCO)cc1	ZINC000852463054	EF	On-Demand	Anodyne	LTA4H	20	48
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](C)[C@@H]2CCO)cc1	ZINC000852463054	EF	On-Demand	Anodyne	HRH3	30	41
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](C)[C@H]2CCO)cc1	ZINC000852463058	EF	On-Demand	Anodyne	LTA4H	20	48
COC(=O)/C=C\c1ccc(OCCN2CCC[C@H](C)[C@H]2CCO)cc1	ZINC000852463058	EF	On-Demand	Anodyne	HRH3	30	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852463120	EH	On-Demand	Anodyne	CCR3	44	34
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852463121	EH	On-Demand	Anodyne	CCR3	44	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852463122	EH	On-Demand	Anodyne	CCR3	44	34
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852463123	EH	On-Demand	Anodyne	CCR3	44	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852463127	GG	On-Demand	Anodyne	GPR119	35	43
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852463128	GG	On-Demand	Anodyne	GPR119	35	43
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCc2c(nnn2-c2ccccc2)C1	ZINC000852463129	GG	On-Demand	Anodyne	MAPK1	49	37
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCc2c(nnn2-c2ccccc2)C1	ZINC000852463130	GG	On-Demand	Anodyne	MAPK1	49	37
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)Cc1ccncc1	ZINC000852463131	EE	On-Demand	Reactive	P2RX7	21	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)Cc1ccncc1	ZINC000852463132	EE	On-Demand	Reactive	P2RX7	21	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852463136	GG	On-Demand	Reactive	AVPR1A	21	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852463136	GG	On-Demand	Reactive	P2RX7	54	38
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852463136	GG	On-Demand	Reactive	LEF	54	38
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852463137	GG	On-Demand	Reactive	AVPR1A	21	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852463137	GG	On-Demand	Reactive	P2RX7	54	38
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852463137	GG	On-Demand	Reactive	LEF	54	38
COc1cccc([C@H](O)CNC(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1	ZINC000852463143	FG	On-Demand	Anodyne	BACE1	17	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852463150	FG	On-Demand	Reactive	PTGER3	40	34
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852463151	FG	On-Demand	Reactive	PTGER3	40	34
COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H](C)Cc2ccc(F)cc2C)c1	ZINC000852463157	GG	On-Demand	Anodyne	MTNR1A	18	40
COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1	ZINC000852463158	GG	On-Demand	Anodyne	MTNR1A	18	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC(F)(F)CC1	ZINC000852463166	DH	On-Demand	Anodyne	CACNA1H	49	37
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC(F)(F)CC1	ZINC000852463167	DH	On-Demand	Anodyne	CACNA1H	49	37
Cc1cccc(C(=O)NNC(=O)CN2C[C@@]3(C)COC[C@@]3(C)C2)c1	ZINC000852463180	ED	On-Demand	Reactive	KCNK3	54	39
Cc1cccc(C(=O)NNC(=O)CN2C[C@@]3(C)COC[C@@]3(C)C2)c1	ZINC000852463180	ED	On-Demand	Reactive	KCNK9	44	39
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC(C(=O)NCC(C)C)CC1	ZINC000852463182	GG	On-Demand	Anodyne	EPHX2	21	46
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC(C(=O)NCC(C)C)CC1	ZINC000852463183	GG	On-Demand	Anodyne	EPHX2	21	46
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1c1cccnc1	ZINC000852463237	EE	On-Demand	Anodyne	CHRNA7	34	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@H]1c1cccnc1	ZINC000852463237	EE	On-Demand	Anodyne	ACHP_LYMST	19	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1c1cccnc1	ZINC000852463238	EE	On-Demand	Anodyne	CHRNA7	34	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@H]1c1cccnc1	ZINC000852463238	EE	On-Demand	Anodyne	ACHP_LYMST	19	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1c1cccnc1	ZINC000852463239	EE	On-Demand	Anodyne	CHRNA7	34	42
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC[C@@H]1c1cccnc1	ZINC000852463239	EE	On-Demand	Anodyne	ACHP_LYMST	19	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1c1cccnc1	ZINC000852463240	EE	On-Demand	Anodyne	CHRNA7	34	42
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC[C@@H]1c1cccnc1	ZINC000852463240	EE	On-Demand	Anodyne	ACHP_LYMST	19	42
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@@H]1CCc2ccccc21	ZINC000852463251	EE	On-Demand	Anodyne	MTNR1B	18	43
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@@H]1CCc2ccccc21	ZINC000852463252	EE	On-Demand	Anodyne	MTNR1B	18	43
O=C(NCC[S@@](=O)CC(F)(F)F)NC[C@H]1CCc2ccccc21	ZINC000852463253	EE	On-Demand	Anodyne	MTNR1B	18	43
O=C(NCC[S@](=O)CC(F)(F)F)NC[C@H]1CCc2ccccc21	ZINC000852463254	EE	On-Demand	Anodyne	MTNR1B	18	43
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852463329	GF	On-Demand	Anodyne	ADRB2	25	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852463329	GF	On-Demand	Anodyne	ADRB1	47	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852463329	GF	On-Demand	Anodyne	PDS	44	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852463330	GF	On-Demand	Anodyne	ADRB2	25	42
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852463330	GF	On-Demand	Anodyne	ADRB1	47	42
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852463330	GF	On-Demand	Anodyne	PDS	44	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852463331	GF	On-Demand	Anodyne	ADRB2	25	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852463331	GF	On-Demand	Anodyne	ADRB1	47	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852463331	GF	On-Demand	Anodyne	PDS	44	40
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852463332	GF	On-Demand	Anodyne	ADRB2	25	42
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852463332	GF	On-Demand	Anodyne	ADRB1	47	42
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852463332	GF	On-Demand	Anodyne	PDS	44	40
CN(CCOc1ccccc1)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852463343	FE	On-Demand	Anodyne	LTA4H	22	41
CN(CCOc1ccccc1)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852463344	FE	On-Demand	Anodyne	LTA4H	22	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccccc1O	ZINC000852463378	DG	On-Demand	Clean	ANPEP	19	45
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccccc1O	ZINC000852463378	DG	On-Demand	Clean	P2RX7	46	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccccc1O	ZINC000852463379	DG	On-Demand	Clean	ANPEP	19	45
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccccc1O	ZINC000852463379	DG	On-Demand	Clean	P2RX7	46	41
O=C(NCC[S@](=O)CC(F)(F)F)NCC1(c2ccccc2)CCC1	ZINC000852463389	FF	On-Demand	Anodyne	KCNA3	42	36
O=C(NCC[S@@](=O)CC(F)(F)F)NCC1(c2ccccc2)CCC1	ZINC000852463390	FF	On-Demand	Anodyne	KCNA3	42	36
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852463511	GH	On-Demand	Anodyne	MC4R	33	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852463512	GH	On-Demand	Anodyne	MC4R	33	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852463535	GH	On-Demand	Clean	EPHB4	44	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852463535	GH	On-Demand	Clean	STAT6	40	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852463536	GH	On-Demand	Clean	EPHB4	44	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852463536	GH	On-Demand	Clean	STAT6	40	35
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(CCc2ccccc2)CC1	ZINC000852463551	GG	On-Demand	Anodyne	ACHE	26	40
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(CCc2ccccc2)CC1	ZINC000852463551	GG	On-Demand	Anodyne	GRIN2B	43	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(CCc2ccccc2)CC1	ZINC000852463552	GG	On-Demand	Anodyne	ACHE	26	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(CCc2ccccc2)CC1	ZINC000852463552	GG	On-Demand	Anodyne	GRIN2B	43	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@@H](c2nccn2C)C1	ZINC000852463561	FG	On-Demand	Anodyne	CCR3	57	34
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC[C@@H](c2nccn2C)C1	ZINC000852463562	FG	On-Demand	Anodyne	CCR3	57	34
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@H](c2nccn2C)C1	ZINC000852463563	FG	On-Demand	Anodyne	CCR3	57	34
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC[C@H](c2nccn2C)C1	ZINC000852463564	FG	On-Demand	Anodyne	CCR3	57	34
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(-c2ccccc2)cc1	ZINC000852463597	GI	On-Demand	Anodyne	ACACA	19	40
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(-c2ccccc2)cc1	ZINC000852463597	GI	On-Demand	Anodyne	CTSF	49	35
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(-c2ccccc2)cc1	ZINC000852463597	GI	On-Demand	Anodyne	CTSK	32	43
C[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)c1ccc(-c2ccccc2)cc1	ZINC000852463597	GI	On-Demand	Anodyne	ACACB	19	40
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(-c2ccccc2)cc1	ZINC000852463598	GI	On-Demand	Anodyne	ACACA	19	40
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(-c2ccccc2)cc1	ZINC000852463598	GI	On-Demand	Anodyne	CTSF	49	35
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(-c2ccccc2)cc1	ZINC000852463598	GI	On-Demand	Anodyne	CTSK	32	43
C[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)c1ccc(-c2ccccc2)cc1	ZINC000852463598	GI	On-Demand	Anodyne	ACACB	19	40
COc1cc2c(cc1OC)CN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2	ZINC000852463603	GE	On-Demand	Anodyne	ABCB1	17	42
COc1cc2c(cc1OC)CN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2	ZINC000852463604	GE	On-Demand	Anodyne	ABCB1	17	42
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852463627	GF	On-Demand	Anodyne	HTR1D	33	44
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852463627	GF	On-Demand	Anodyne	MPO	74	38
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCC[S@@](=O)CC(F)(F)F	ZINC000852463627	GF	On-Demand	Anodyne	MAPT	16	46
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852463628	GF	On-Demand	Anodyne	HTR1D	33	44
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852463628	GF	On-Demand	Anodyne	MPO	74	38
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCC[S@](=O)CC(F)(F)F	ZINC000852463628	GF	On-Demand	Anodyne	MAPT	16	46
C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852463718	GG	On-Demand	Anodyne	ST14	40	35
C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852463718	GG	On-Demand	Anodyne	TMPRSS6	56	35
C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852463720	GG	On-Demand	Anodyne	ST14	40	35
C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852463720	GG	On-Demand	Anodyne	TMPRSS6	56	35
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccccc2F)CC1	ZINC000852463758	GG	On-Demand	Anodyne	RBP4	74	43
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCC(c2ccccc2F)CC1	ZINC000852463758	GG	On-Demand	Anodyne	CALCRL	21	40
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccccc2F)CC1	ZINC000852463759	GG	On-Demand	Anodyne	RBP4	74	43
O=C(NCC[S@](=O)CC(F)(F)F)N1CCC(c2ccccc2F)CC1	ZINC000852463759	GG	On-Demand	Anodyne	CALCRL	21	40
C[C@H]1c2ccc(F)cc2CCN1C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852463765	FF	On-Demand	Anodyne	TRPM8	26	43
C[C@H]1c2ccc(F)cc2CCN1C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852463767	FF	On-Demand	Anodyne	TRPM8	26	43
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463822	FF	On-Demand	Anodyne	MME	24	42
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463822	FF	On-Demand	Anodyne	ANPEP	24	41
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463822	FF	On-Demand	Anodyne	P2RX7	40	43
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463822	FF	On-Demand	Anodyne	FURIN	43	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463822	FF	On-Demand	Anodyne	PDS	41	36
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463823	FF	On-Demand	Anodyne	MME	24	42
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463823	FF	On-Demand	Anodyne	ANPEP	24	41
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463823	FF	On-Demand	Anodyne	P2RX7	40	43
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463823	FF	On-Demand	Anodyne	FURIN	43	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852463823	FF	On-Demand	Anodyne	PDS	41	36
O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(c2ccccn2)CC1	ZINC000852463837	FD	On-Demand	Anodyne	DRD4	25	41
O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(c2ccccn2)CC1	ZINC000852463838	FD	On-Demand	Anodyne	DRD4	25	41
CC(C)(C)OC(=O)N1CCC(CN2C[C@@]3(C)COC[C@@]3(C)C2)CC1	ZINC000852463875	EF	On-Demand	Anodyne	GPR119	35	40
O=C(NCC[S@](=O)CC(F)(F)F)NC1CCCCCC1	ZINC000852463889	DE	On-Demand	Anodyne	EPHX2	20	48
O=C(NCC[S@@](=O)CC(F)(F)F)NC1CCCCCC1	ZINC000852463890	DE	On-Demand	Anodyne	EPHX2	20	48
COc1ccc(CN(C)C(=O)NCC[S@@](=O)CC(F)(F)F)cc1OC	ZINC000852463903	GE	On-Demand	Anodyne	MT-ND1	20	48
COc1ccc(CN(C)C(=O)NCC[S@](=O)CC(F)(F)F)cc1OC	ZINC000852463904	GE	On-Demand	Anodyne	MT-ND1	20	48
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1	ZINC000852463907	FH	On-Demand	Clean	THRB	53	39
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)Cc2ccc(F)cc2C)c1	ZINC000852463908	FH	On-Demand	Clean	THRB	53	39
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)Cc2ccc(F)cc2C)c1	ZINC000852463909	FH	On-Demand	Clean	THRB	53	39
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)Cc2ccc(F)cc2C)c1	ZINC000852463910	FH	On-Demand	Clean	THRB	53	39
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC2(CC1)CNC(=O)O2	ZINC000852463918	EE	On-Demand	Anodyne	CACNA1H	40	35
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC2(CC1)CNC(=O)O2	ZINC000852463919	EE	On-Demand	Anodyne	CACNA1H	40	35
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC([C@H](O)c2nccn2C)CC1	ZINC000852463920	GF	On-Demand	Anodyne	CCR3	44	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1	ZINC000852463921	GF	On-Demand	Anodyne	CCR3	44	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1	ZINC000852463922	GF	On-Demand	Anodyne	CCR3	44	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC([C@H](O)c2nccn2C)CC1	ZINC000852463923	GF	On-Demand	Anodyne	CCR3	44	33
CN(CCOc1cccc(Cl)c1)C(=O)NCC[S@](=O)CC(F)(F)F	ZINC000852463959	GF	On-Demand	Anodyne	PDS	58	36
CN(CCOc1cccc(Cl)c1)C(=O)NCC[S@@](=O)CC(F)(F)F	ZINC000852463960	GF	On-Demand	Anodyne	PDS	58	36
O=C(c1ccccc1)C1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852463968	GF	On-Demand	Anodyne	SLC18A3	40	41
O=C(c1ccccc1)C1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1	ZINC000852463968	GF	On-Demand	Anodyne	SFRP1	54	33
O=C(c1ccccc1)C1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852463969	GF	On-Demand	Anodyne	SLC18A3	40	41
O=C(c1ccccc1)C1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1	ZINC000852463969	GF	On-Demand	Anodyne	SFRP1	54	33
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852463993	GH	On-Demand	Clean	CCR3	55	38
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852463994	GH	On-Demand	Clean	CCR3	55	38
N#C[C@@H]1CCCC[C@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852464106	CD	On-Demand	Mild	AMY2	43	30
N#C[C@@H]1CCCC[C@@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852464107	CD	On-Demand	Mild	AMY2	43	30
N#C[C@@H]1CCCC[C@H]1NC[C@](O)(C(N)=O)c1ccccc1	ZINC000852464108	CD	On-Demand	Mild	AMY2	43	30
N#C[C@@H]1CCCC[C@@H]1NC[C@@](O)(C(N)=O)c1ccccc1	ZINC000852464109	CD	On-Demand	Mild	AMY2	43	30
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852464264	FF	On-Demand	Anodyne	CALCRL	46	39
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCC(N2CCOC2=O)CC1	ZINC000852464265	FF	On-Demand	Anodyne	CALCRL	46	39
CCCCC[C@@H](C)NC(=O)CN1C[C@@]2(C)COC[C@@]2(C)C1	ZINC000852464302	CE	On-Demand	Anodyne	NOD1	55	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NCc1ncccn1	ZINC000852464364	DE	On-Demand	Anodyne	P2RX7	39	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)NCc1ncccn1	ZINC000852464365	DE	On-Demand	Anodyne	P2RX7	39	40
CC(C)(C)OC(=O)N1CCC(CCCN[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000852464404	EI	On-Demand	Mild	GPR119	29	46
CC(C)(C)OC(=O)N1CCC(CCCN[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000852464405	EI	On-Demand	Mild	GPR119	29	46
CC(C)(C)OC(=O)N1CCC(CCCN[C@H]2CCCC[C@H]2C#N)CC1	ZINC000852464406	EI	On-Demand	Mild	GPR119	29	46
CC(C)(C)OC(=O)N1CCC(CCCN[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000852464407	EI	On-Demand	Mild	GPR119	29	46
C#C[C@H]1CCCN(C(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852464421	DG	On-Demand	Mild	CCR3	41	32
C#C[C@H]1CCCN(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852464422	DG	On-Demand	Mild	CCR3	41	32
C#C[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852464423	DG	On-Demand	Mild	CCR3	41	32
C#C[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852464424	DG	On-Demand	Mild	CCR3	41	32
N#C[C@@H]1CCCC[C@@H]1NCc1cccc(C(=O)C(F)(F)F)c1	ZINC000852464425	DH	On-Demand	Mild	SSTR3	28	44
N#C[C@H]1CCCC[C@@H]1NCc1cccc(C(=O)C(F)(F)F)c1	ZINC000852464426	DH	On-Demand	Mild	SSTR3	28	44
N#C[C@@H]1CCCC[C@H]1NCc1cccc(C(=O)C(F)(F)F)c1	ZINC000852464427	DH	On-Demand	Mild	SSTR3	28	44
N#C[C@H]1CCCC[C@H]1NCc1cccc(C(=O)C(F)(F)F)c1	ZINC000852464428	DH	On-Demand	Mild	SSTR3	28	44
Cc1cc(F)ccc1C[C@H](C)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852464487	GD	On-Demand	Reactive	CCR3	45	33
Cc1cc(F)ccc1C[C@@H](C)NC(=O)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852464488	GD	On-Demand	Reactive	CCR3	45	33
N#C[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1cccnc1	ZINC000852464542	BD	On-Demand	Mild	ADRB1	22	41
N#C[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1cccnc1	ZINC000852464542	BD	On-Demand	Mild	ADRB3	65	42
N#C[C@@H]1CCCC[C@H]1NC[C@@H](O)c1cccnc1	ZINC000852464543	BD	On-Demand	Mild	ADRB1	22	41
N#C[C@@H]1CCCC[C@H]1NC[C@@H](O)c1cccnc1	ZINC000852464543	BD	On-Demand	Mild	ADRB3	65	42
N#C[C@@H]1CCCC[C@@H]1NC[C@H](O)c1cccnc1	ZINC000852464544	BD	On-Demand	Mild	ADRB1	22	41
N#C[C@@H]1CCCC[C@@H]1NC[C@H](O)c1cccnc1	ZINC000852464544	BD	On-Demand	Mild	ADRB3	65	42
N#C[C@@H]1CCCC[C@H]1NC[C@H](O)c1cccnc1	ZINC000852464545	BD	On-Demand	Mild	ADRB1	22	41
N#C[C@@H]1CCCC[C@H]1NC[C@H](O)c1cccnc1	ZINC000852464545	BD	On-Demand	Mild	ADRB3	65	42
CCOC(=O)C1=C(CN2C[C@@]3(C)COC[C@@]3(C)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852464667	GE	On-Demand	Anodyne	CACNA1D	41	41
CCOC(=O)C1=C(CN2C[C@@]3(C)COC[C@@]3(C)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852464667	GE	On-Demand	Anodyne	SLC27A4	78	37
CCOC(=O)C1=C(CN2C[C@@]3(C)COC[C@@]3(C)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852464668	GE	On-Demand	Anodyne	CACNA1D	41	41
CCOC(=O)C1=C(CN2C[C@@]3(C)COC[C@@]3(C)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852464668	GE	On-Demand	Anodyne	SLC27A4	78	37
C#CC[C@H]1CCCN(C(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852464791	DH	On-Demand	Mild	CCR3	52	34
C#CC[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccc(F)cc2C)C1	ZINC000852464793	DH	On-Demand	Mild	CCR3	52	34
C#CC[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1	ZINC000852464794	DH	On-Demand	Mild	CCR3	52	34
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1CCc2cc(Cl)nnc2C1	ZINC000852464919	FG	On-Demand	Anodyne	MAPK1	57	40
Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCc2cc(Cl)nnc2C1	ZINC000852464920	FG	On-Demand	Anodyne	MAPK1	57	40
CC(=O)c1ccc(OC[C@H](O)CN2C[C@@]3(C)COC[C@@]3(C)C2)cc1	ZINC000852465023	ED	On-Demand	Anodyne	ACOX1	60	33
CC(=O)c1ccc(OC[C@H](O)CN2C[C@@]3(C)COC[C@@]3(C)C2)cc1	ZINC000852465023	ED	On-Demand	Anodyne	ABCB1	46	43
CC(=O)c1ccc(OC[C@@H](O)CN2C[C@@]3(C)COC[C@@]3(C)C2)cc1	ZINC000852465024	ED	On-Demand	Anodyne	ACOX1	60	33
CC(=O)c1ccc(OC[C@@H](O)CN2C[C@@]3(C)COC[C@@]3(C)C2)cc1	ZINC000852465024	ED	On-Demand	Anodyne	ABCB1	46	43
N#C[C@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465093	CE	On-Demand	Mild	CTSB	28	40
N#C[C@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465093	CE	On-Demand	Mild	CTSK	24	43
N#C[C@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465093	CE	On-Demand	Mild	CTSL	27	43
N#C[C@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465093	CE	On-Demand	Mild	PREP	27	47
N#C[C@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465093	CE	On-Demand	Mild	CTSS	26	40
N#C[C@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465093	CE	On-Demand	Mild	CTSC	40	35
N#C[C@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465093	CE	On-Demand	Mild	SLC12A5	43	36
N#C[C@@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465094	CE	On-Demand	Mild	CTSB	28	40
N#C[C@@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465094	CE	On-Demand	Mild	CTSK	24	43
N#C[C@@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465094	CE	On-Demand	Mild	CTSL	27	43
N#C[C@@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465094	CE	On-Demand	Mild	PREP	27	47
N#C[C@@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465094	CE	On-Demand	Mild	CTSS	26	40
N#C[C@@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465094	CE	On-Demand	Mild	CTSC	40	35
N#C[C@@H]1CCCC[C@@H]1NCC(=O)OCc1ccccc1	ZINC000852465094	CE	On-Demand	Mild	SLC12A5	43	36
N#C[C@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465095	CE	On-Demand	Mild	CTSB	28	40
N#C[C@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465095	CE	On-Demand	Mild	CTSK	24	43
N#C[C@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465095	CE	On-Demand	Mild	CTSL	27	43
N#C[C@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465095	CE	On-Demand	Mild	PREP	27	47
N#C[C@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465095	CE	On-Demand	Mild	CTSS	26	40
N#C[C@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465095	CE	On-Demand	Mild	CTSC	40	35
N#C[C@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465095	CE	On-Demand	Mild	SLC12A5	43	36
N#C[C@@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465096	CE	On-Demand	Mild	CTSB	28	40
N#C[C@@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465096	CE	On-Demand	Mild	CTSK	24	43
N#C[C@@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465096	CE	On-Demand	Mild	CTSL	27	43
N#C[C@@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465096	CE	On-Demand	Mild	PREP	27	47
N#C[C@@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465096	CE	On-Demand	Mild	CTSS	26	40
N#C[C@@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465096	CE	On-Demand	Mild	CTSC	40	35
N#C[C@@H]1CCCC[C@H]1NCC(=O)OCc1ccccc1	ZINC000852465096	CE	On-Demand	Mild	SLC12A5	43	36
N#C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852465125	FF	On-Demand	Mild	CNR2	15	40
N#C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852465126	FF	On-Demand	Mild	CNR2	15	40
N#C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852465127	FF	On-Demand	Mild	CNR2	15	40
N#C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852465128	FF	On-Demand	Mild	CNR2	15	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	ZINC000852465165	FE	On-Demand	Reactive	DRD4	17	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	ZINC000852465165	FE	On-Demand	Reactive	SLC6A5	31	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	ZINC000852465165	FE	On-Demand	Reactive	EPHX2	25	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	ZINC000852465166	FE	On-Demand	Reactive	DRD4	17	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	ZINC000852465166	FE	On-Demand	Reactive	SLC6A5	31	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)NCc2ccc(Cl)cc2)C1	ZINC000852465166	FE	On-Demand	Reactive	EPHX2	25	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@](C)(O)c2ccccc2)C1	ZINC000852465235	DE	On-Demand	Anodyne	CHRM2	21	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@](C)(O)c2ccccc2)C1	ZINC000852465235	DE	On-Demand	Anodyne	CHRM1	23	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@](C)(O)c2ccccc2)C1	ZINC000852465235	DE	On-Demand	Anodyne	CHRM3	42	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@](C)(O)c2ccccc2)C1	ZINC000852465236	DE	On-Demand	Anodyne	CHRM2	21	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@](C)(O)c2ccccc2)C1	ZINC000852465236	DE	On-Demand	Anodyne	CHRM1	23	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@](C)(O)c2ccccc2)C1	ZINC000852465236	DE	On-Demand	Anodyne	CHRM3	42	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@](C)(O)c2ccccc2)C1	ZINC000852465237	DE	On-Demand	Anodyne	CHRM2	21	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@](C)(O)c2ccccc2)C1	ZINC000852465237	DE	On-Demand	Anodyne	CHRM1	23	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@](C)(O)c2ccccc2)C1	ZINC000852465237	DE	On-Demand	Anodyne	CHRM3	42	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@](C)(O)c2ccccc2)C1	ZINC000852465238	DE	On-Demand	Anodyne	CHRM2	21	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@](C)(O)c2ccccc2)C1	ZINC000852465238	DE	On-Demand	Anodyne	CHRM1	23	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@](C)(O)c2ccccc2)C1	ZINC000852465238	DE	On-Demand	Anodyne	CHRM3	42	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	ZINC000852465247	FE	On-Demand	Reactive	EPHX2	27	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)C1	ZINC000852465248	FE	On-Demand	Reactive	EPHX2	27	40
COc1ccc(N2CCC(NC(=O)N[C@H]3CCN(C(C)(C)C)C3)CC2)cc1	ZINC000852465267	FF	On-Demand	Clean	EPHX2	40	38
COc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C(C)(C)C)C3)CC2)cc1	ZINC000852465268	FF	On-Demand	Clean	EPHX2	40	38
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1	ZINC000852465279	FG	On-Demand	Anodyne	CACNA1H	20	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1	ZINC000852465279	FG	On-Demand	Anodyne	CACNA1I	52	37
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1	ZINC000852465280	FG	On-Demand	Anodyne	CACNA1H	20	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1	ZINC000852465280	FG	On-Demand	Anodyne	CACNA1I	52	37
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1	ZINC000852465281	FG	On-Demand	Anodyne	CACNA1H	20	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1	ZINC000852465281	FG	On-Demand	Anodyne	CACNA1I	52	37
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1	ZINC000852465282	FG	On-Demand	Anodyne	CACNA1H	20	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1	ZINC000852465282	FG	On-Demand	Anodyne	CACNA1I	52	37
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852465317	ED	On-Demand	Anodyne	ADRB1	15	40
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852465317	ED	On-Demand	Anodyne	DRD4	40	31
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852465317	ED	On-Demand	Anodyne	ADRB3	30	40
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852465317	ED	On-Demand	Anodyne	MTNR1A	32	44
COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852465317	ED	On-Demand	Anodyne	MTNR1B	33	44
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852465321	ED	On-Demand	Anodyne	EPHX2	37	45
CCOC(=O)N1CCC(NC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852465321	ED	On-Demand	Anodyne	CCR8	25	42
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852465322	ED	On-Demand	Anodyne	EPHX2	37	45
CCOC(=O)N1CCC(NC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852465322	ED	On-Demand	Anodyne	CCR8	25	42
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	ZINC000852465337	ED	On-Demand	Reactive	SIGMAR1	18	47
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	ZINC000852465337	ED	On-Demand	Reactive	CCR3	64	42
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	ZINC000852465338	ED	On-Demand	Reactive	SIGMAR1	18	47
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(F)cc2)C1	ZINC000852465338	ED	On-Demand	Reactive	CCR3	64	42
CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCN(C(C)(C)C)C3)CC2)c(F)c1	ZINC000852465347	GF	On-Demand	Anodyne	NPY2R	46	41
CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCN(C(C)(C)C)C3)CC2)c(F)c1	ZINC000852465347	GF	On-Demand	Anodyne	SLC6A9	23	47
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCN(C(C)(C)C)C3)CC2)c(F)c1	ZINC000852465348	GF	On-Demand	Anodyne	NPY2R	46	41
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CCN(C(C)(C)C)C3)CC2)c(F)c1	ZINC000852465348	GF	On-Demand	Anodyne	SLC6A9	23	47
CC(C)(C)N1CC[C@@H](NC(=O)NCc2ccccc2O)C1	ZINC000852465359	CE	On-Demand	Clean	EPHX2	42	45
CC(C)(C)N1CC[C@H](NC(=O)NCc2ccccc2O)C1	ZINC000852465360	CE	On-Demand	Clean	EPHX2	42	45
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)NCc2ccccc2)C1	ZINC000852465460	ED	On-Demand	Anodyne	DRD4	21	41
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)NCc2ccccc2)C1	ZINC000852465460	ED	On-Demand	Anodyne	SIGMAR1	20	45
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)NCc2ccccc2)C1	ZINC000852465460	ED	On-Demand	Anodyne	CCR2	33	41
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)NCc2ccccc2)C1	ZINC000852465460	ED	On-Demand	Anodyne	EPHX2	25	42
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)NCc2ccccc2)C1	ZINC000852465461	ED	On-Demand	Anodyne	DRD4	21	41
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)NCc2ccccc2)C1	ZINC000852465461	ED	On-Demand	Anodyne	SIGMAR1	20	45
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)NCc2ccccc2)C1	ZINC000852465461	ED	On-Demand	Anodyne	CCR2	33	41
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)NCc2ccccc2)C1	ZINC000852465461	ED	On-Demand	Anodyne	EPHX2	25	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(F)c2)C1	ZINC000852465474	DE	On-Demand	Anodyne	SCD1	15	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(F)c2)C1	ZINC000852465474	DE	On-Demand	Anodyne	SCD	26	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(F)c2)C1	ZINC000852465475	DE	On-Demand	Anodyne	SCD1	15	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(F)c2)C1	ZINC000852465475	DE	On-Demand	Anodyne	SCD	26	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(F)c2)C1	ZINC000852465476	DE	On-Demand	Anodyne	SCD1	15	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(F)c2)C1	ZINC000852465476	DE	On-Demand	Anodyne	SCD	26	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(F)c2)C1	ZINC000852465477	DE	On-Demand	Anodyne	SCD1	15	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(F)c2)C1	ZINC000852465477	DE	On-Demand	Anodyne	SCD	26	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465592	FF	On-Demand	Anodyne	CACNA1B	46	36
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465592	FF	On-Demand	Anodyne	CCR2	111	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465592	FF	On-Demand	Anodyne	EPHX2	27	48
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465592	FF	On-Demand	Anodyne	PDS	41	33
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465593	FF	On-Demand	Anodyne	CACNA1B	46	36
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465593	FF	On-Demand	Anodyne	CCR2	111	42
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465593	FF	On-Demand	Anodyne	EPHX2	27	48
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465593	FF	On-Demand	Anodyne	PDS	41	33
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465594	FF	On-Demand	Anodyne	CACNA1B	46	36
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465594	FF	On-Demand	Anodyne	CCR2	111	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465594	FF	On-Demand	Anodyne	EPHX2	27	48
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465594	FF	On-Demand	Anodyne	PDS	41	33
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465595	FF	On-Demand	Anodyne	CACNA1B	46	36
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465595	FF	On-Demand	Anodyne	CCR2	111	42
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465595	FF	On-Demand	Anodyne	EPHX2	27	48
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1	ZINC000852465595	FF	On-Demand	Anodyne	PDS	41	33
CC(C)(C)OC(=O)NCC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852465602	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NCC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852465603	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc3ncccc23)C1	ZINC000852465604	FE	On-Demand	Reactive	CCR8	55	33
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc3ncccc23)C1	ZINC000852465605	FE	On-Demand	Reactive	CCR8	55	33
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	ZINC000852465646	FE	On-Demand	Reactive	SIGMAR1	17	48
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	ZINC000852465646	FE	On-Demand	Reactive	SLC6A5	31	42
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	ZINC000852465646	FE	On-Demand	Reactive	EPHX2	19	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	ZINC000852465646	FE	On-Demand	Reactive	MCHR1	15	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	ZINC000852465647	FE	On-Demand	Reactive	SIGMAR1	17	48
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	ZINC000852465647	FE	On-Demand	Reactive	SLC6A5	31	42
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	ZINC000852465647	FE	On-Demand	Reactive	EPHX2	19	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc(Cl)cc2)C1	ZINC000852465647	FE	On-Demand	Reactive	MCHR1	15	41
COc1ccc2c(CN[C@@H]3CCCC[C@H]3C#N)cc(=O)oc2c1	ZINC000852465660	DF	On-Demand	Mild	MAOB	28	44
COc1ccc2c(CN[C@H]3CCCC[C@H]3C#N)cc(=O)oc2c1	ZINC000852465661	DF	On-Demand	Mild	MAOB	28	44
COc1ccc2c(CN[C@@H]3CCCC[C@@H]3C#N)cc(=O)oc2c1	ZINC000852465662	DF	On-Demand	Mild	MAOB	28	44
COc1ccc2c(CN[C@H]3CCCC[C@@H]3C#N)cc(=O)oc2c1	ZINC000852465663	DF	On-Demand	Mild	MAOB	28	44
N#C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852465686	EE	On-Demand	Mild	MTOR	42	35
N#C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852465686	EE	On-Demand	Mild	STAT6	41	30
N#C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852465687	EE	On-Demand	Mild	MTOR	42	35
N#C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852465687	EE	On-Demand	Mild	STAT6	41	30
N#C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852465688	EE	On-Demand	Mild	MTOR	42	35
N#C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852465688	EE	On-Demand	Mild	STAT6	41	30
N#C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852465689	EE	On-Demand	Mild	MTOR	42	35
N#C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852465689	EE	On-Demand	Mild	STAT6	41	30
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC[C@@H]2C#N)c1	ZINC000852465730	DD	On-Demand	Reactive	KCNK3	55	38
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC[C@@H]2C#N)c1	ZINC000852465730	DD	On-Demand	Reactive	KCNK9	43	38
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC[C@H]2C#N)c1	ZINC000852465731	DD	On-Demand	Reactive	KCNK3	55	38
Cc1cccc(C(=O)NNC(=O)CN[C@H]2CCCC[C@H]2C#N)c1	ZINC000852465731	DD	On-Demand	Reactive	KCNK9	43	38
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC[C@@H]2C#N)c1	ZINC000852465732	DD	On-Demand	Reactive	KCNK3	55	38
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC[C@@H]2C#N)c1	ZINC000852465732	DD	On-Demand	Reactive	KCNK9	43	38
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC[C@H]2C#N)c1	ZINC000852465733	DD	On-Demand	Reactive	KCNK3	55	38
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2CCCC[C@H]2C#N)c1	ZINC000852465733	DD	On-Demand	Reactive	KCNK9	43	38
N#C[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccccc1	ZINC000852465750	DD	On-Demand	Reactive	SSTR3	22	40
N#C[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccccc1	ZINC000852465751	DD	On-Demand	Reactive	SSTR3	22	40
N#C[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccccc1	ZINC000852465752	DD	On-Demand	Reactive	SSTR3	22	40
N#C[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccccc1	ZINC000852465753	DD	On-Demand	Reactive	SSTR3	22	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)C1	ZINC000852465768	GE	On-Demand	Reactive	EPHX2	55	46
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)C1	ZINC000852465769	GE	On-Demand	Reactive	EPHX2	55	46
N#C[C@H]1CCCC[C@@H]1NCCC(=O)OCc1ccccc1	ZINC000852465790	CF	On-Demand	Mild	CTSK	17	41
N#C[C@@H]1CCCC[C@@H]1NCCC(=O)OCc1ccccc1	ZINC000852465791	CF	On-Demand	Mild	CTSK	17	41
N#C[C@H]1CCCC[C@H]1NCCC(=O)OCc1ccccc1	ZINC000852465792	CF	On-Demand	Mild	CTSK	17	41
N#C[C@@H]1CCCC[C@H]1NCCC(=O)OCc1ccccc1	ZINC000852465793	CF	On-Demand	Mild	CTSK	17	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852465794	EE	On-Demand	Reactive	DRD4	22	42
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852465794	EE	On-Demand	Reactive	CCR2	27	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852465794	EE	On-Demand	Reactive	SLC6A5	22	44
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852465794	EE	On-Demand	Reactive	CACNA1I	54	44
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852465795	EE	On-Demand	Reactive	DRD4	22	42
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852465795	EE	On-Demand	Reactive	CCR2	27	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852465795	EE	On-Demand	Reactive	SLC6A5	22	44
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(Cl)c2)C1	ZINC000852465795	EE	On-Demand	Reactive	CACNA1I	54	44
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@H]2C#N)NC(=O)N[C@H]1c1ccco1	ZINC000852465802	FE	On-Demand	Mild	SLC27A4	52	31
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@H]2C#N)NC(=O)N[C@@H]1c1ccco1	ZINC000852465803	FE	On-Demand	Mild	SLC27A4	52	31
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@@H]2C#N)NC(=O)N[C@@H]1c1ccco1	ZINC000852465804	FE	On-Demand	Mild	SLC27A4	52	31
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@@H]2C#N)NC(=O)N[C@H]1c1ccco1	ZINC000852465805	FE	On-Demand	Mild	SLC27A4	52	31
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2Cl)C1	ZINC000852465810	FF	On-Demand	Anodyne	EPHX2	18	40
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2Cl)C1	ZINC000852465811	FF	On-Demand	Anodyne	EPHX2	18	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	ZINC000852465820	GC	On-Demand	Reactive	AKR1C3	41	34
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	ZINC000852465820	GC	On-Demand	Reactive	SFRP1	94	36
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	ZINC000852465820	GC	On-Demand	Reactive	WNT3	45	32
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	ZINC000852465821	GC	On-Demand	Reactive	AKR1C3	41	34
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	ZINC000852465821	GC	On-Demand	Reactive	SFRP1	94	36
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1	ZINC000852465821	GC	On-Demand	Reactive	WNT3	45	32
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccccc2)C1	ZINC000852465860	DD	On-Demand	Anodyne	SCD1	19	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccccc2)C1	ZINC000852465861	DD	On-Demand	Anodyne	SCD1	19	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2)C1	ZINC000852465862	DD	On-Demand	Anodyne	SCD1	19	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccccc2)C1	ZINC000852465863	DD	On-Demand	Anodyne	SCD1	19	41
N#C[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852465878	CG	On-Demand	Mild	SSTR3	20	42
N#C[C@H]1CCCC[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852465879	CG	On-Demand	Mild	SSTR3	20	42
N#C[C@@H]1CCCC[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852465880	CG	On-Demand	Mild	SSTR3	20	42
N#C[C@H]1CCCC[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852465881	CG	On-Demand	Mild	SSTR3	20	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc3ccccc3c2)C1	ZINC000852465896	FG	On-Demand	Anodyne	DRD4	16	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc3ccccc3c2)C1	ZINC000852465896	FG	On-Demand	Anodyne	EPHX2	23	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc3ccccc3c2)C1	ZINC000852465897	FG	On-Demand	Anodyne	DRD4	16	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc3ccccc3c2)C1	ZINC000852465897	FG	On-Demand	Anodyne	EPHX2	23	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)C1	ZINC000852465898	FG	On-Demand	Anodyne	DRD4	16	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)C1	ZINC000852465898	FG	On-Demand	Anodyne	EPHX2	23	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)C1	ZINC000852465899	FG	On-Demand	Anodyne	DRD4	16	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)C1	ZINC000852465899	FG	On-Demand	Anodyne	EPHX2	23	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)C1	ZINC000852465922	FF	On-Demand	Anodyne	SFRP1	107	36
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)C1	ZINC000852465922	FF	On-Demand	Anodyne	WNT3	71	36
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)C1	ZINC000852465923	FF	On-Demand	Anodyne	SFRP1	107	36
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)C1	ZINC000852465923	FF	On-Demand	Anodyne	WNT3	71	36
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)C1	ZINC000852465924	FF	On-Demand	Anodyne	SFRP1	107	36
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)C1	ZINC000852465924	FF	On-Demand	Anodyne	WNT3	71	36
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)C1	ZINC000852465925	FF	On-Demand	Anodyne	SFRP1	107	36
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)C1	ZINC000852465925	FF	On-Demand	Anodyne	WNT3	71	36
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)c1	ZINC000852465962	ED	On-Demand	Mild	EPHX2	20	40
C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852465963	ED	On-Demand	Mild	EPHX2	20	40
CC(C)(C)OC(=O)N1CCC(CCN[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000852465964	EH	On-Demand	Mild	GPR119	30	43
CC(C)(C)OC(=O)N1CCC(CCN[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000852465965	EH	On-Demand	Mild	GPR119	30	43
CC(C)(C)OC(=O)N1CCC(CCN[C@H]2CCCC[C@H]2C#N)CC1	ZINC000852465966	EH	On-Demand	Mild	GPR119	30	43
CC(C)(C)OC(=O)N1CCC(CCN[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000852465967	EH	On-Demand	Mild	GPR119	30	43
CC(C)(C)OC(=O)N1CCC(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852465968	GF	On-Demand	Anodyne	CACNA1I	48	35
CC(C)(C)OC(=O)N1CCC(CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852465969	GF	On-Demand	Anodyne	CACNA1I	48	35
N#C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852465984	FE	On-Demand	Mild	VIPR1	25	41
N#C[C@H]1CCCC[C@H]1NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852465985	FE	On-Demand	Mild	VIPR1	25	41
N#C[C@@H]1CCCC[C@H]1NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852465986	FE	On-Demand	Mild	VIPR1	25	41
N#C[C@H]1CCCC[C@@H]1NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852465987	FE	On-Demand	Mild	VIPR1	25	41
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	FKBP1A	37	44
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	DRD4	22	40
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	CTSB	23	50
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	CTSK	27	50
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	CTSL	30	50
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	SLC6A5	32	40
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	EPHX2	33	43
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	BIRC2	23	42
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466016	ED	On-Demand	Anodyne	SLC12A5	66	35
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	FKBP1A	37	44
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	DRD4	22	40
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	CTSB	23	50
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	CTSK	27	50
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	CTSL	30	50
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	SLC6A5	32	40
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	EPHX2	33	43
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	BIRC2	23	42
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccccc2)C1	ZINC000852466017	ED	On-Demand	Anodyne	SLC12A5	66	35
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466024	ED	On-Demand	Reactive	DRD4	20	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466024	ED	On-Demand	Reactive	GRIN2B	31	46
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466024	ED	On-Demand	Reactive	SIGMAR1	23	42
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466024	ED	On-Demand	Reactive	EPHX2	27	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466024	ED	On-Demand	Reactive	NAAA	15	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466024	ED	On-Demand	Reactive	BIRC2	36	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466025	ED	On-Demand	Reactive	DRD4	20	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466025	ED	On-Demand	Reactive	GRIN2B	31	46
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466025	ED	On-Demand	Reactive	SIGMAR1	23	42
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466025	ED	On-Demand	Reactive	EPHX2	27	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466025	ED	On-Demand	Reactive	NAAA	15	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)CCc2ccccc2)C1	ZINC000852466025	ED	On-Demand	Reactive	BIRC2	36	40
CC[C@@H](C(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1)c1ccccc1	ZINC000852466028	EE	On-Demand	Reactive	KCNQ2	53	44
CC[C@@H](C(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1)c1ccccc1	ZINC000852466029	EE	On-Demand	Reactive	KCNQ2	53	44
N#C[C@H]1CCCC[C@@H]1NCc1ccc(CF)cc1	ZINC000852466038	BG	On-Demand	Mild	SSTR3	18	41
N#C[C@@H]1CCCC[C@@H]1NCc1ccc(CF)cc1	ZINC000852466039	BG	On-Demand	Mild	SSTR3	18	41
N#C[C@H]1CCCC[C@H]1NCc1ccc(CF)cc1	ZINC000852466040	BG	On-Demand	Mild	SSTR3	18	41
N#C[C@@H]1CCCC[C@H]1NCc1ccc(CF)cc1	ZINC000852466041	BG	On-Demand	Mild	SSTR3	18	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccccc2Cl)C1	ZINC000852466060	EF	On-Demand	Anodyne	OPRL1	31	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccccc2Cl)C1	ZINC000852466061	EF	On-Demand	Anodyne	OPRL1	31	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccccc2Cl)C1	ZINC000852466062	EF	On-Demand	Anodyne	OPRL1	31	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccccc2Cl)C1	ZINC000852466063	EF	On-Demand	Anodyne	OPRL1	31	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1	ZINC000852466064	FG	On-Demand	Anodyne	CACNA1I	42	34
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1	ZINC000852466065	FG	On-Demand	Anodyne	CACNA1I	42	34
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1	ZINC000852466066	FG	On-Demand	Anodyne	CACNA1I	42	34
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1	ZINC000852466067	FG	On-Demand	Anodyne	CACNA1I	42	34
COc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852466083	ED	On-Demand	Anodyne	DRD2	28	40
COc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852466083	ED	On-Demand	Anodyne	BIRC2	15	40
COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852466085	ED	On-Demand	Anodyne	DRD2	28	40
COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852466085	ED	On-Demand	Anodyne	BIRC2	15	40
N#C[C@@H]1CCCC[C@@H]1NCc1cc2ccccc2c(Cl)n1	ZINC000852466088	CI	On-Demand	Mild	SSTR3	16	40
N#C[C@H]1CCCC[C@@H]1NCc1cc2ccccc2c(Cl)n1	ZINC000852466089	CI	On-Demand	Mild	SSTR3	16	40
N#C[C@H]1CCCC[C@H]1NCc1cc2ccccc2c(Cl)n1	ZINC000852466090	CI	On-Demand	Mild	SSTR3	16	40
N#C[C@@H]1CCCC[C@H]1NCc1cc2ccccc2c(Cl)n1	ZINC000852466091	CI	On-Demand	Mild	SSTR3	16	40
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852466099	GH	On-Demand	Reactive	EPHX2	44	43
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)C1	ZINC000852466100	GH	On-Demand	Reactive	EPHX2	44	43
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466107	FE	On-Demand	Anodyne	ACE	37	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466107	FE	On-Demand	Anodyne	MME	44	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466107	FE	On-Demand	Anodyne	CTSB	24	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466107	FE	On-Demand	Anodyne	CTSK	21	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466107	FE	On-Demand	Anodyne	CTSL	33	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466107	FE	On-Demand	Anodyne	NPFFR2	44	30
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466107	FE	On-Demand	Anodyne	GHSR	26	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466107	FE	On-Demand	Anodyne	BIRC2	45	39
CC(C)(C)N1CC[C@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466109	FE	On-Demand	Anodyne	ACE	37	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466109	FE	On-Demand	Anodyne	MME	44	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466109	FE	On-Demand	Anodyne	CTSB	24	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466109	FE	On-Demand	Anodyne	CTSK	21	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466109	FE	On-Demand	Anodyne	CTSL	33	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466109	FE	On-Demand	Anodyne	NPFFR2	44	30
CC(C)(C)N1CC[C@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466109	FE	On-Demand	Anodyne	GHSR	26	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466109	FE	On-Demand	Anodyne	BIRC2	45	39
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466111	FE	On-Demand	Anodyne	ACE	37	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466111	FE	On-Demand	Anodyne	MME	44	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466111	FE	On-Demand	Anodyne	CTSB	24	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466111	FE	On-Demand	Anodyne	CTSK	21	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466111	FE	On-Demand	Anodyne	CTSL	33	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466111	FE	On-Demand	Anodyne	NPFFR2	44	30
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466111	FE	On-Demand	Anodyne	GHSR	26	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466111	FE	On-Demand	Anodyne	BIRC2	45	39
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466112	FE	On-Demand	Anodyne	ACE	37	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466112	FE	On-Demand	Anodyne	MME	44	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466112	FE	On-Demand	Anodyne	CTSB	24	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466112	FE	On-Demand	Anodyne	CTSK	21	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466112	FE	On-Demand	Anodyne	CTSL	33	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466112	FE	On-Demand	Anodyne	NPFFR2	44	30
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466112	FE	On-Demand	Anodyne	GHSR	26	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H](COC(=N)O)Cc2ccccc2)C1	ZINC000852466112	FE	On-Demand	Anodyne	BIRC2	45	39
CC(C)(C)OC(=O)NCCC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852466129	GG	On-Demand	Anodyne	SIRT2	21	40
CC(C)(C)OC(=O)NCCC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852466129	GG	On-Demand	Anodyne	SIRT1	19	40
CC(C)(C)OC(=O)NCCC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852466130	GG	On-Demand	Anodyne	SIRT2	21	40
CC(C)(C)OC(=O)NCCC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852466130	GG	On-Demand	Anodyne	SIRT1	19	40
CC(C)(C)N1CC[C@@H](NC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)C1	ZINC000852466137	GF	On-Demand	Anodyne	EPHX2	15	40
CC(C)(C)N1CC[C@H](NC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)C1	ZINC000852466138	GF	On-Demand	Anodyne	EPHX2	15	40
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000852466147	FD	On-Demand	Reactive	EPHX2	32	43
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000852466147	FD	On-Demand	Reactive	MCHR1	18	48
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000852466149	FD	On-Demand	Reactive	EPHX2	32	43
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000852466149	FD	On-Demand	Reactive	MCHR1	18	48
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@H]2C#N)NC(=O)N[C@H]1c1ccccc1	ZINC000852466161	GF	On-Demand	Mild	SLC27A4	80	36
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@H]2C#N)NC(=O)N[C@@H]1c1ccccc1	ZINC000852466163	GF	On-Demand	Mild	SLC27A4	80	36
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@@H]2C#N)NC(=O)N[C@@H]1c1ccccc1	ZINC000852466165	GF	On-Demand	Mild	SLC27A4	80	36
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@@H]2C#N)NC(=O)N[C@H]1c1ccccc1	ZINC000852466166	GF	On-Demand	Mild	SLC27A4	80	36
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1	ZINC000852466168	FG	On-Demand	Anodyne	CNR2	15	42
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1	ZINC000852466168	FG	On-Demand	Anodyne	CCR8	46	32
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1	ZINC000852466170	FG	On-Demand	Anodyne	CNR2	15	42
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1	ZINC000852466170	FG	On-Demand	Anodyne	CCR8	46	32
CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@@H]2C#N)cc1	ZINC000852466180	DE	On-Demand	Mild	ADRB2	33	45
CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@@H]2C#N)cc1	ZINC000852466180	DE	On-Demand	Mild	ADRB1	51	42
CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC[C@H]2C#N)cc1	ZINC000852466186	DE	On-Demand	Mild	ADRB2	33	45
CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC[C@H]2C#N)cc1	ZINC000852466186	DE	On-Demand	Mild	ADRB1	51	42
CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@H]2C#N)cc1	ZINC000852466188	DE	On-Demand	Mild	ADRB2	33	45
CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCCC[C@H]2C#N)cc1	ZINC000852466188	DE	On-Demand	Mild	ADRB1	51	42
CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC[C@@H]2C#N)cc1	ZINC000852466190	DE	On-Demand	Mild	ADRB2	33	45
CC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCCC[C@@H]2C#N)cc1	ZINC000852466190	DE	On-Demand	Mild	ADRB1	51	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)C1	ZINC000852466214	FF	On-Demand	Anodyne	CACNA1H	17	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)C1	ZINC000852466214	FF	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)C1	ZINC000852466215	FF	On-Demand	Anodyne	CACNA1H	17	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)C1	ZINC000852466215	FF	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)C1	ZINC000852466216	FF	On-Demand	Anodyne	CACNA1H	17	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)C1	ZINC000852466216	FF	On-Demand	Anodyne	CACNA1I	43	34
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)C1	ZINC000852466217	FF	On-Demand	Anodyne	CACNA1H	17	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)C1	ZINC000852466217	FF	On-Demand	Anodyne	CACNA1I	43	34
Cc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852466323	DE	On-Demand	Anodyne	CCR8	49	31
Cc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852466325	DE	On-Demand	Anodyne	CCR8	49	31
Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852466326	DE	On-Demand	Anodyne	CCR8	49	31
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852466368	GF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)C1	ZINC000852466370	GF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852466374	GF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1	ZINC000852466378	GF	On-Demand	Anodyne	CACNA1I	41	33
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	CTSD	99	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	PGC	63	38
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	PAPA1_CARPA	55	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	CCKAR	29	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	CTSK	23	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	CTSL	26	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	PGA	40	39
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	BACE2	44	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	REN	114	51
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	REN1	28	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	CTSS	19	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	BACE1	74	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	FPR1	52	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@@H]1C#N	ZINC000852466381	GG	On-Demand	Mild	PLM1_PLAFA	28	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	CTSD	99	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	PGC	63	38
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	PAPA1_CARPA	55	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	CCKAR	29	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	CTSK	23	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	CTSL	26	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	PGA	40	39
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	BACE2	44	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	REN	114	51
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	REN1	28	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	CTSS	19	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	BACE1	74	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	FPR1	52	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H]1CCCC[C@H]1C#N	ZINC000852466384	GG	On-Demand	Mild	PLM1_PLAFA	28	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	CTSD	99	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	PGC	63	38
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	PAPA1_CARPA	55	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	CCKAR	29	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	CTSK	23	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	CTSL	26	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	PGA	40	39
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	BACE2	44	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	REN	114	51
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	REN1	28	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	CTSS	19	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	BACE1	74	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	FPR1	52	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@H]1C#N	ZINC000852466387	GG	On-Demand	Mild	PLM1_PLAFA	28	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	CTSD	99	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	PGC	63	38
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	PAPA1_CARPA	55	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	CCKAR	29	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	CTSK	23	44
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	CTSL	26	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	PGA	40	39
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	BACE2	44	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	REN	114	51
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	REN1	28	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	CTSS	19	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	BACE1	74	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	FPR1	52	45
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1CCCC[C@@H]1C#N	ZINC000852466390	GG	On-Demand	Mild	PLM1_PLAFA	28	44
COc1ccc2c(CN3CC[C@@H]3c3ccc(F)cc3)cc(=O)oc2c1	ZINC000852466409	EH	On-Demand	Anodyne	CYP19A1	15	51
COc1ccc2c(CN3CC[C@@H]3c3ccc(F)cc3)cc(=O)oc2c1	ZINC000852466409	EH	On-Demand	Anodyne	CYP11B1	18	43
COc1ccc2c(CN3CC[C@@H]3c3ccc(F)cc3)cc(=O)oc2c1	ZINC000852466409	EH	On-Demand	Anodyne	MAOB	28	47
COc1ccc2c(CN3CC[C@H]3c3ccc(F)cc3)cc(=O)oc2c1	ZINC000852466411	EH	On-Demand	Anodyne	CYP19A1	15	51
COc1ccc2c(CN3CC[C@H]3c3ccc(F)cc3)cc(=O)oc2c1	ZINC000852466411	EH	On-Demand	Anodyne	CYP11B1	18	43
COc1ccc2c(CN3CC[C@H]3c3ccc(F)cc3)cc(=O)oc2c1	ZINC000852466411	EH	On-Demand	Anodyne	MAOB	28	47
N#C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852466416	EH	On-Demand	Mild	DHODH	32	49
N#C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852466416	EH	On-Demand	Mild	SLC1A2	22	41
N#C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852466417	EH	On-Demand	Mild	DHODH	32	49
N#C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852466417	EH	On-Demand	Mild	SLC1A2	22	41
N#C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852466418	EH	On-Demand	Mild	DHODH	32	49
N#C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852466418	EH	On-Demand	Mild	SLC1A2	22	41
N#C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852466419	EH	On-Demand	Mild	DHODH	32	49
N#C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852466419	EH	On-Demand	Mild	SLC1A2	22	41
O[C@@H](CCN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466431	CH	On-Demand	Anodyne	SLC6A4	18	51
O[C@@H](CCN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466431	CH	On-Demand	Anodyne	SLC6A3	48	58
O[C@@H](CCN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466431	CH	On-Demand	Anodyne	SLC18A3	21	50
O[C@H](CCN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466432	CH	On-Demand	Anodyne	SLC6A4	18	51
O[C@H](CCN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466432	CH	On-Demand	Anodyne	SLC6A3	48	58
O[C@H](CCN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466432	CH	On-Demand	Anodyne	SLC18A3	21	50
O[C@@H](CCN1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466434	CH	On-Demand	Anodyne	SLC6A4	18	51
O[C@@H](CCN1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466434	CH	On-Demand	Anodyne	SLC6A3	48	58
O[C@@H](CCN1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466434	CH	On-Demand	Anodyne	SLC18A3	21	50
O[C@H](CCN1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466435	CH	On-Demand	Anodyne	SLC6A4	18	51
O[C@H](CCN1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466435	CH	On-Demand	Anodyne	SLC6A3	48	58
O[C@H](CCN1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852466435	CH	On-Demand	Anodyne	SLC18A3	21	50
CC(C)(C)N1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1	ZINC000852466452	GD	On-Demand	Anodyne	EPHX2	21	43
CC(C)(C)N1CC[C@H](NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1	ZINC000852466452	GD	On-Demand	Anodyne	TMPRSS11D	62	35
CC(C)(C)N1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1	ZINC000852466453	GD	On-Demand	Anodyne	EPHX2	21	43
CC(C)(C)N1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1	ZINC000852466453	GD	On-Demand	Anodyne	TMPRSS11D	62	35
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	ZINC000852466465	FF	On-Demand	Reactive	EPHX2	54	54
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	ZINC000852466467	FF	On-Demand	Reactive	EPHX2	54	54
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)C1	ZINC000852466494	GD	On-Demand	Anodyne	EPHX2	19	40
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)C1	ZINC000852466496	GD	On-Demand	Anodyne	EPHX2	19	40
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)C1	ZINC000852466498	GD	On-Demand	Anodyne	EPHX2	19	40
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)C1	ZINC000852466499	GD	On-Demand	Anodyne	EPHX2	19	40
O=C(CCN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466504	GG	On-Demand	Anodyne	PIK3CA	29	41
O=C(CCN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466504	GG	On-Demand	Anodyne	MTOR	60	41
O=C(CCN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466504	GG	On-Demand	Anodyne	EPHX2	19	42
O=C(CCN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466504	GG	On-Demand	Anodyne	PIK3CG	17	41
O=C(CCN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466504	GG	On-Demand	Anodyne	STAT6	57	37
O=C(CCN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466505	GG	On-Demand	Anodyne	PIK3CA	29	41
O=C(CCN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466505	GG	On-Demand	Anodyne	MTOR	60	41
O=C(CCN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466505	GG	On-Demand	Anodyne	EPHX2	19	42
O=C(CCN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466505	GG	On-Demand	Anodyne	PIK3CG	17	41
O=C(CCN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852466505	GG	On-Demand	Anodyne	STAT6	57	37
CCOC(=O)N1CCC(NC(=O)N[C@@H](CC)COCC2CC2)CC1	ZINC000852466517	EE	On-Demand	Anodyne	EPHX2	19	43
CCOC(=O)N1CCC(NC(=O)N[C@H](CC)COCC2CC2)CC1	ZINC000852466518	EE	On-Demand	Anodyne	EPHX2	19	43
N#C[C@H]1CCCC[C@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852466519	CE	On-Demand	Mild	G2YM83_BOTF4	65	34
N#C[C@H]1CCCC[C@@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852466520	CE	On-Demand	Mild	G2YM83_BOTF4	65	34
N#C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852466521	CE	On-Demand	Mild	G2YM83_BOTF4	65	34
N#C[C@@H]1CCCC[C@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852466522	CE	On-Demand	Mild	G2YM83_BOTF4	65	34
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ccccn2)C1	ZINC000852466559	CD	On-Demand	Reactive	GRIN2B	15	40
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ccccn2)C1	ZINC000852466559	CD	On-Demand	Reactive	EPHX2	15	42
CC(C)(C)N1CC[C@H](NC(=O)NNc2ccccn2)C1	ZINC000852466560	CD	On-Demand	Reactive	GRIN2B	15	40
CC(C)(C)N1CC[C@H](NC(=O)NNc2ccccn2)C1	ZINC000852466560	CD	On-Demand	Reactive	EPHX2	15	42
COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1	ZINC000852466618	FD	On-Demand	Anodyne	MTNR1A	21	42
COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H]2CCN(C(C)(C)C)C2)c1	ZINC000852466619	FD	On-Demand	Anodyne	MTNR1A	21	42
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852466680	GD	On-Demand	Reactive	EPHX2	47	42
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852466680	GD	On-Demand	Reactive	F13A1	47	39
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852466680	GD	On-Demand	Reactive	MTCA1	31	43
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852466680	GD	On-Demand	Reactive	P96878_MYCTU	38	43
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852466681	GD	On-Demand	Reactive	EPHX2	47	42
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852466681	GD	On-Demand	Reactive	F13A1	47	39
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852466681	GD	On-Demand	Reactive	MTCA1	31	43
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852466681	GD	On-Demand	Reactive	P96878_MYCTU	38	43
N#C[C@H]1CCCC[C@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852466700	FD	On-Demand	Mild	SSTR1	48	46
N#C[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852466701	FD	On-Demand	Mild	SSTR1	48	46
N#C[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852466702	FD	On-Demand	Mild	SSTR1	48	46
N#C[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852466703	FD	On-Demand	Mild	SSTR1	48	46
N#C[C@H]1CCCC[C@@H]1NCc1cc(=O)oc2cc(O)ccc12	ZINC000852466712	CF	On-Demand	Mild	HSD17B3	37	50
N#C[C@H]1CCCC[C@H]1NCc1cc(=O)oc2cc(O)ccc12	ZINC000852466713	CF	On-Demand	Mild	HSD17B3	37	50
N#C[C@@H]1CCCC[C@@H]1NCc1cc(=O)oc2cc(O)ccc12	ZINC000852466714	CF	On-Demand	Mild	HSD17B3	37	50
N#C[C@@H]1CCCC[C@H]1NCc1cc(=O)oc2cc(O)ccc12	ZINC000852466715	CF	On-Demand	Mild	HSD17B3	37	50
N#C[C@@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	ZINC000852466734	DD	On-Demand	Reactive	SSTR3	30	50
N#C[C@@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	ZINC000852466735	DD	On-Demand	Reactive	SSTR3	30	50
N#C[C@H]1CCCC[C@@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	ZINC000852466736	DD	On-Demand	Reactive	SSTR3	30	50
N#C[C@H]1CCCC[C@H]1NCC(=O)NNC(=O)c1ccc(F)cc1	ZINC000852466737	DD	On-Demand	Reactive	SSTR3	30	50
CC(=O)Oc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)cc1	ZINC000852466764	CF	On-Demand	Mild	SSTR3	21	44
CC(=O)Oc1ccc(CN[C@@H]2CCCC[C@H]2C#N)cc1	ZINC000852466765	CF	On-Demand	Mild	SSTR3	21	44
CC(=O)Oc1ccc(CN[C@H]2CCCC[C@H]2C#N)cc1	ZINC000852466766	CF	On-Demand	Mild	SSTR3	21	44
CC(=O)Oc1ccc(CN[C@H]2CCCC[C@@H]2C#N)cc1	ZINC000852466767	CF	On-Demand	Mild	SSTR3	21	44
N#C[C@H]1CCCC[C@@H]1NCC(=O)NOCc1ccccc1	ZINC000852466780	CD	On-Demand	Mild	CTSK	15	41
N#C[C@H]1CCCC[C@@H]1NCC(=O)NOCc1ccccc1	ZINC000852466780	CD	On-Demand	Mild	PREP	25	44
N#C[C@@H]1CCCC[C@@H]1NCC(=O)NOCc1ccccc1	ZINC000852466781	CD	On-Demand	Mild	CTSK	15	41
N#C[C@@H]1CCCC[C@@H]1NCC(=O)NOCc1ccccc1	ZINC000852466781	CD	On-Demand	Mild	PREP	25	44
N#C[C@H]1CCCC[C@H]1NCC(=O)NOCc1ccccc1	ZINC000852466782	CD	On-Demand	Mild	CTSK	15	41
N#C[C@H]1CCCC[C@H]1NCC(=O)NOCc1ccccc1	ZINC000852466782	CD	On-Demand	Mild	PREP	25	44
N#C[C@@H]1CCCC[C@H]1NCC(=O)NOCc1ccccc1	ZINC000852466783	CD	On-Demand	Mild	CTSK	15	41
N#C[C@@H]1CCCC[C@H]1NCC(=O)NOCc1ccccc1	ZINC000852466783	CD	On-Demand	Mild	PREP	25	44
N#C[C@@H]1CCCC[C@H]1N[C@H]1CCOC1=O	ZINC000852466800	BC	On-Demand	Mild	TRAR	68	33
N#C[C@@H]1CCCC[C@H]1N[C@H]1CCOC1=O	ZINC000852466800	BC	On-Demand	Mild	LASR	42	32
N#C[C@@H]1CCCC[C@@H]1N[C@H]1CCOC1=O	ZINC000852466801	BC	On-Demand	Mild	TRAR	68	33
N#C[C@@H]1CCCC[C@@H]1N[C@H]1CCOC1=O	ZINC000852466801	BC	On-Demand	Mild	LASR	42	32
N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCOC1=O	ZINC000852466802	BC	On-Demand	Mild	TRAR	68	33
N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCOC1=O	ZINC000852466802	BC	On-Demand	Mild	LASR	42	32
N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCOC1=O	ZINC000852466803	BC	On-Demand	Mild	TRAR	68	33
N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCOC1=O	ZINC000852466803	BC	On-Demand	Mild	LASR	42	32
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	ZINC000852466804	ED	On-Demand	Reactive	CCR8	63	32
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)c2c[nH]c3ccccc23)C1	ZINC000852466805	ED	On-Demand	Reactive	CCR8	63	32
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(F)cc2)C1	ZINC000852466806	DE	On-Demand	Anodyne	SCD	16	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(F)cc2)C1	ZINC000852466807	DE	On-Demand	Anodyne	SCD	16	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(F)cc2)C1	ZINC000852466808	DE	On-Demand	Anodyne	SCD	16	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(F)cc2)C1	ZINC000852466809	DE	On-Demand	Anodyne	SCD	16	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1	ZINC000852466812	GF	On-Demand	Anodyne	EPHX2	48	46
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)C1	ZINC000852466813	GF	On-Demand	Anodyne	EPHX2	48	46
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1	ZINC000852466814	GF	On-Demand	Anodyne	EPHX2	48	46
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)C1	ZINC000852466815	GF	On-Demand	Anodyne	EPHX2	48	46
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA2	63	47
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA1	62	47
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA7	41	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA13	20	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA5B	28	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA4	40	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA5A	28	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA14	30	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA12	45	44
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CA9	53	47
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CAH_METTE	23	41
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	CYNT	27	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	NCE103	18	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	P96878_MYCTU	15	42
N#C[C@@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466824	DD	On-Demand	Mild	A6YCJ1_9METZ	24	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA2	63	47
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA1	62	47
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA7	41	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA13	20	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA5B	28	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA4	40	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA5A	28	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA14	30	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA12	45	44
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CA9	53	47
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CAH_METTE	23	41
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	CYNT	27	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	NCE103	18	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	P96878_MYCTU	15	42
N#C[C@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466825	DD	On-Demand	Mild	A6YCJ1_9METZ	24	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA2	63	47
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA1	62	47
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA7	41	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA13	20	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA5B	28	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA4	40	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA5A	28	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA14	30	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA12	45	44
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CA9	53	47
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CAH_METTE	23	41
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	CYNT	27	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	NCE103	18	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	P96878_MYCTU	15	42
N#C[C@H]1CCCC[C@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466826	DD	On-Demand	Mild	A6YCJ1_9METZ	24	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA2	63	47
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA1	62	47
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA7	41	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA13	20	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA5B	28	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA4	40	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA5A	28	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA14	30	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA12	45	44
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CA9	53	47
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CAH_METTE	23	41
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	CYNT	27	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	NCE103	18	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	P96878_MYCTU	15	42
N#C[C@@H]1CCCC[C@@H]1NCCc1ccc(S(N)(=O)=O)cc1	ZINC000852466827	DD	On-Demand	Mild	A6YCJ1_9METZ	24	42
CC(C)(C)N1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000852466860	GE	On-Demand	Bother	SSTR1	47	43
CC(C)(C)N1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000852466861	GE	On-Demand	Bother	SSTR1	47	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852466862	FD	On-Demand	Anodyne	ADRB2	25	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852466862	FD	On-Demand	Anodyne	ADRB1	38	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852466862	FD	On-Demand	Anodyne	ADRB3	27	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852466862	FD	On-Demand	Anodyne	CCR3	27	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852466863	FD	On-Demand	Anodyne	ADRB2	25	42
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852466863	FD	On-Demand	Anodyne	ADRB1	38	42
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852466863	FD	On-Demand	Anodyne	ADRB3	27	42
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)COc2cccc(F)c2)C1	ZINC000852466863	FD	On-Demand	Anodyne	CCR3	27	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852466864	FD	On-Demand	Anodyne	ADRB2	25	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852466864	FD	On-Demand	Anodyne	ADRB1	38	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852466864	FD	On-Demand	Anodyne	ADRB3	27	42
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852466864	FD	On-Demand	Anodyne	CCR3	27	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852466865	FD	On-Demand	Anodyne	ADRB2	25	42
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852466865	FD	On-Demand	Anodyne	ADRB1	38	42
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852466865	FD	On-Demand	Anodyne	ADRB3	27	42
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)COc2cccc(F)c2)C1	ZINC000852466865	FD	On-Demand	Anodyne	CCR3	27	41
N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852466908	DH	On-Demand	Mild	LUCI_PHOPY	74	46
N#C[C@@H]1CCCC[C@H]1NC[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852466909	DH	On-Demand	Mild	LUCI_PHOPY	74	46
N#C[C@@H]1CCCC[C@@H]1NC[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852466910	DH	On-Demand	Mild	LUCI_PHOPY	74	46
N#C[C@@H]1CCCC[C@H]1NC[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852466911	DH	On-Demand	Mild	LUCI_PHOPY	74	46
N#C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1	ZINC000852466912	GG	On-Demand	Mild	PREP	18	47
N#C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1	ZINC000852466913	GG	On-Demand	Mild	PREP	18	47
N#C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1	ZINC000852466914	GG	On-Demand	Mild	PREP	18	47
N#C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1	ZINC000852466915	GG	On-Demand	Mild	PREP	18	47
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@](C)(O)c2cccs2)C1	ZINC000852466916	EE	On-Demand	Anodyne	CHRM1	20	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@](C)(O)c2cccs2)C1	ZINC000852466917	EE	On-Demand	Anodyne	CHRM1	20	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@](C)(O)c2cccs2)C1	ZINC000852466918	EE	On-Demand	Anodyne	CHRM1	20	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@](C)(O)c2cccs2)C1	ZINC000852466919	EE	On-Demand	Anodyne	CHRM1	20	43
N#C[C@@H]1CCCC[C@H]1NCc1ccc(OCC(N)=O)cc1	ZINC000852466942	CD	On-Demand	Mild	LGMN	54	33
N#C[C@@H]1CCCC[C@H]1NCc1ccc(OCC(N)=O)cc1	ZINC000852466942	CD	On-Demand	Mild	SSTR3	18	40
N#C[C@H]1CCCC[C@@H]1NCc1ccc(OCC(N)=O)cc1	ZINC000852466943	CD	On-Demand	Mild	LGMN	54	33
N#C[C@H]1CCCC[C@@H]1NCc1ccc(OCC(N)=O)cc1	ZINC000852466943	CD	On-Demand	Mild	SSTR3	18	40
N#C[C@H]1CCCC[C@H]1NCc1ccc(OCC(N)=O)cc1	ZINC000852466944	CD	On-Demand	Mild	LGMN	54	33
N#C[C@H]1CCCC[C@H]1NCc1ccc(OCC(N)=O)cc1	ZINC000852466944	CD	On-Demand	Mild	SSTR3	18	40
N#C[C@@H]1CCCC[C@@H]1NCc1ccc(OCC(N)=O)cc1	ZINC000852466945	CD	On-Demand	Mild	LGMN	54	33
N#C[C@@H]1CCCC[C@@H]1NCc1ccc(OCC(N)=O)cc1	ZINC000852466945	CD	On-Demand	Mild	SSTR3	18	40
CN(C)c1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C(C)(C)C)C3)CC2)cc1	ZINC000852466990	GF	On-Demand	Anodyne	EPHX2	24	43
CN(C)c1ccc(N2CCC(NC(=O)N[C@H]3CCN(C(C)(C)C)C3)CC2)cc1	ZINC000852466991	GF	On-Demand	Anodyne	EPHX2	24	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466992	EF	On-Demand	Anodyne	ADRB1	33	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466992	EF	On-Demand	Anodyne	ADRB3	52	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466992	EF	On-Demand	Anodyne	IGF1R	28	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466992	EF	On-Demand	Anodyne	EPHX2	24	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466992	EF	On-Demand	Anodyne	CYP3A4	49	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466993	EF	On-Demand	Anodyne	ADRB1	33	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466993	EF	On-Demand	Anodyne	ADRB3	52	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466993	EF	On-Demand	Anodyne	IGF1R	28	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466993	EF	On-Demand	Anodyne	EPHX2	24	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc(Cl)c2)C1	ZINC000852466993	EF	On-Demand	Anodyne	CYP3A4	49	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466994	EF	On-Demand	Anodyne	ADRB1	33	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466994	EF	On-Demand	Anodyne	ADRB3	52	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466994	EF	On-Demand	Anodyne	IGF1R	28	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466994	EF	On-Demand	Anodyne	EPHX2	24	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466994	EF	On-Demand	Anodyne	CYP3A4	49	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466995	EF	On-Demand	Anodyne	ADRB1	33	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466995	EF	On-Demand	Anodyne	ADRB3	52	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466995	EF	On-Demand	Anodyne	IGF1R	28	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466995	EF	On-Demand	Anodyne	EPHX2	24	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc(Cl)c2)C1	ZINC000852466995	EF	On-Demand	Anodyne	CYP3A4	49	40
N#C[C@@H]1CCCC[C@H]1NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852467006	FF	On-Demand	Mild	VIPR1	27	43
N#C[C@@H]1CCCC[C@@H]1NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852467007	FF	On-Demand	Mild	VIPR1	27	43
N#C[C@H]1CCCC[C@@H]1NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852467008	FF	On-Demand	Mild	VIPR1	27	43
N#C[C@H]1CCCC[C@H]1NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852467009	FF	On-Demand	Mild	VIPR1	27	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccsc2)C1	ZINC000852467010	DD	On-Demand	Anodyne	SCD	16	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccsc2)C1	ZINC000852467011	DD	On-Demand	Anodyne	SCD	16	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccsc2)C1	ZINC000852467012	DD	On-Demand	Anodyne	SCD	16	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccsc2)C1	ZINC000852467013	DD	On-Demand	Anodyne	SCD	16	43
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467018	FF	On-Demand	Reactive	DRD4	20	43
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467018	FF	On-Demand	Reactive	SIGMAR1	18	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467018	FF	On-Demand	Reactive	CCR3	33	47
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467018	FF	On-Demand	Reactive	EPHX2	18	44
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467018	FF	On-Demand	Reactive	MCHR1	18	48
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467019	FF	On-Demand	Reactive	DRD4	20	43
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467019	FF	On-Demand	Reactive	SIGMAR1	18	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467019	FF	On-Demand	Reactive	CCR3	33	47
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467019	FF	On-Demand	Reactive	EPHX2	18	44
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Cc2ccc3ccccc3c2)C1	ZINC000852467019	FF	On-Demand	Reactive	MCHR1	18	48
N#C[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1cccc(Cl)c1	ZINC000852467020	CG	On-Demand	Mild	ADRB1	39	43
N#C[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1cccc(Cl)c1	ZINC000852467020	CG	On-Demand	Mild	ADRB3	46	44
N#C[C@@H]1CCCC[C@H]1NC[C@H](O)c1cccc(Cl)c1	ZINC000852467021	CG	On-Demand	Mild	ADRB1	39	43
N#C[C@@H]1CCCC[C@H]1NC[C@H](O)c1cccc(Cl)c1	ZINC000852467021	CG	On-Demand	Mild	ADRB3	46	44
N#C[C@@H]1CCCC[C@H]1NC[C@@H](O)c1cccc(Cl)c1	ZINC000852467022	CG	On-Demand	Mild	ADRB1	39	43
N#C[C@@H]1CCCC[C@H]1NC[C@@H](O)c1cccc(Cl)c1	ZINC000852467022	CG	On-Demand	Mild	ADRB3	46	44
N#C[C@@H]1CCCC[C@@H]1NC[C@H](O)c1cccc(Cl)c1	ZINC000852467023	CG	On-Demand	Mild	ADRB1	39	43
N#C[C@@H]1CCCC[C@@H]1NC[C@H](O)c1cccc(Cl)c1	ZINC000852467023	CG	On-Demand	Mild	ADRB3	46	44
N#Cc1ccc(OCCCN[C@@H]2CCCC[C@H]2C#N)cc1	ZINC000852467046	CF	On-Demand	Mild	MEN1	41	39
N#Cc1ccc(OCCCN[C@@H]2CCCC[C@@H]2C#N)cc1	ZINC000852467047	CF	On-Demand	Mild	MEN1	41	39
N#Cc1ccc(OCCCN[C@H]2CCCC[C@H]2C#N)cc1	ZINC000852467048	CF	On-Demand	Mild	MEN1	41	39
N#Cc1ccc(OCCCN[C@H]2CCCC[C@@H]2C#N)cc1	ZINC000852467049	CF	On-Demand	Mild	MEN1	41	39
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@H]1c1ccc(F)cc1	ZINC000852467062	EH	On-Demand	Anodyne	G2YM83_BOTF4	62	37
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852467063	EH	On-Demand	Anodyne	G2YM83_BOTF4	62	37
CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852467094	GG	On-Demand	Anodyne	GPR119	46	45
CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852467095	GG	On-Demand	Anodyne	GPR119	46	45
CC(=O)c1ccc(N2CCN(C(=O)CN[C@H]3CCCC[C@H]3C#N)CC2)c(F)c1	ZINC000852467096	GE	On-Demand	Mild	NPY2R	47	35
CC(=O)c1ccc(N2CCN(C(=O)CN[C@H]3CCCC[C@H]3C#N)CC2)c(F)c1	ZINC000852467096	GE	On-Demand	Mild	SLC6A9	25	47
CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H]3CCCC[C@@H]3C#N)CC2)c(F)c1	ZINC000852467097	GE	On-Demand	Mild	NPY2R	47	35
CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H]3CCCC[C@@H]3C#N)CC2)c(F)c1	ZINC000852467097	GE	On-Demand	Mild	SLC6A9	25	47
CC(=O)c1ccc(N2CCN(C(=O)CN[C@H]3CCCC[C@@H]3C#N)CC2)c(F)c1	ZINC000852467098	GE	On-Demand	Mild	NPY2R	47	35
CC(=O)c1ccc(N2CCN(C(=O)CN[C@H]3CCCC[C@@H]3C#N)CC2)c(F)c1	ZINC000852467098	GE	On-Demand	Mild	SLC6A9	25	47
CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H]3CCCC[C@H]3C#N)CC2)c(F)c1	ZINC000852467099	GE	On-Demand	Mild	NPY2R	47	35
CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H]3CCCC[C@H]3C#N)CC2)c(F)c1	ZINC000852467099	GE	On-Demand	Mild	SLC6A9	25	47
O=C(CN1CC[C@H]1c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852467116	GF	On-Demand	Bother	SSTR1	65	50
O=C(CN1CC[C@H]1c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852467116	GF	On-Demand	Bother	SLC27A4	51	34
O=C(CN1CC[C@@H]1c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852467117	GF	On-Demand	Bother	SSTR1	65	50
O=C(CN1CC[C@@H]1c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852467117	GF	On-Demand	Bother	SLC27A4	51	34
COc1ccc(N2CCN(C(=O)CN[C@@H]3Cc4ccccc4[C@@H]3C)CC2)cc1	ZINC000852467156	GF	On-Demand	Clean	SSTR1	76	41
COc1ccc(N2CCN(C(=O)CN[C@@H]3Cc4ccccc4[C@@H]3C)CC2)cc1	ZINC000852467156	GF	On-Demand	Clean	ADAM9	43	36
COc1ccc(N2CCN(C(=O)CN[C@@H]3Cc4ccccc4[C@@H]3C)CC2)cc1	ZINC000852467156	GF	On-Demand	Clean	KDM1A	16	42
COc1ccc(N2CCN(C(=O)CN[C@@H]3Cc4ccccc4[C@@H]3C)CC2)cc1	ZINC000852467156	GF	On-Demand	Clean	NPBWR1	44	32
COC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852467208	GE	On-Demand	Clean	PDK1	44	31
COC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852467210	GE	On-Demand	Clean	PDK1	44	31
COC[C@@H](O)CNC(=O)NCCNC(=O)c1ccc(Br)cn1	ZINC000852467229	GB	On-Demand	Anodyne	ADRB1	42	34
COC[C@H](NC(=O)N1CCC(CCc2ccccc2)CC1)C1CCOCC1	ZINC000852467250	FG	On-Demand	Anodyne	GHRHR	43	31
COC[C@H](NC(=O)N1CCC(CCc2ccccc2)CC1)C1CCOCC1	ZINC000852467250	FG	On-Demand	Anodyne	GRIN2B	38	42
COC[C@H](NC(=O)N1CCC(CCc2ccccc2)CC1)C1CCOCC1	ZINC000852467250	FG	On-Demand	Anodyne	REN	33	41
COC[C@H](NC(=O)N1CCC(CCc2ccccc2)CC1)C1CCOCC1	ZINC000852467250	FG	On-Demand	Anodyne	CTSS	28	45
COC[C@@H](NC(=O)N1CCC(CCc2ccccc2)CC1)C1CCOCC1	ZINC000852467252	FG	On-Demand	Anodyne	GHRHR	43	31
COC[C@@H](NC(=O)N1CCC(CCc2ccccc2)CC1)C1CCOCC1	ZINC000852467252	FG	On-Demand	Anodyne	GRIN2B	38	42
COC[C@@H](NC(=O)N1CCC(CCc2ccccc2)CC1)C1CCOCC1	ZINC000852467252	FG	On-Demand	Anodyne	REN	33	41
COC[C@@H](NC(=O)N1CCC(CCc2ccccc2)CC1)C1CCOCC1	ZINC000852467252	FG	On-Demand	Anodyne	CTSS	28	45
COc1cccc(OC)c1OC[C@@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000852467265	FF	On-Demand	Anodyne	ADRB2	24	41
COc1cccc(OC)c1OC[C@@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000852467265	FF	On-Demand	Anodyne	ADRB1	23	40
COc1cccc(OC)c1OC[C@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000852467267	FF	On-Demand	Anodyne	ADRB2	24	41
COc1cccc(OC)c1OC[C@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000852467267	FF	On-Demand	Anodyne	ADRB1	23	40
COC[C@@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)C1CCOCC1	ZINC000852467289	FG	On-Demand	Anodyne	LIPE	17	46
COC[C@H](NC(=O)N1CCC[C@H](c2ccccc2)CC1)C1CCOCC1	ZINC000852467291	FG	On-Demand	Anodyne	LIPE	17	46
COC[C@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)C1CCOCC1	ZINC000852467293	FG	On-Demand	Anodyne	LIPE	17	46
COC[C@@H](NC(=O)N1CCC[C@@H](c2ccccc2)CC1)C1CCOCC1	ZINC000852467295	FG	On-Demand	Anodyne	LIPE	17	46
COC[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1	ZINC000852467349	GD	On-Demand	Bother	SSTR1	46	43
COC[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1	ZINC000852467349	GD	On-Demand	Bother	SLC27A4	41	30
COC[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1	ZINC000852467351	GD	On-Demand	Bother	SSTR1	46	43
COC[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1	ZINC000852467351	GD	On-Demand	Bother	SLC27A4	41	30
CC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000852467370	GH	On-Demand	Clean	F10	16	54
CC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000852467370	GH	On-Demand	Clean	ADORA2B	37	43
CC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000852467370	GH	On-Demand	Clean	CASP3	18	49
CC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000852467370	GH	On-Demand	Clean	CASP2	19	40
CC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000852467370	GH	On-Demand	Clean	MTNR1B	22	40
CC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000852467370	GH	On-Demand	Clean	CASP6	22	40
CC(=O)c1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	ZINC000852467370	GH	On-Demand	Clean	KCNK3	46	39
C[C@H]1CN(c2ccc(NC(=O)CN3CC[C@@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1	ZINC000852467376	GH	On-Demand	Anodyne	SLC27A1	27	40
C[C@H]1CN(c2ccc(NC(=O)CN3CC[C@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1	ZINC000852467377	GH	On-Demand	Anodyne	SLC27A1	27	40
CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852467399	EH	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852467400	EH	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852467401	EH	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852467402	EH	On-Demand	Anodyne	GPR119	48	47
CC(C)(C)N1CC[C@H](NC(=O)NCC(=O)OCc2ccc(Cl)cc2)C1	ZINC000852467407	FF	On-Demand	Anodyne	SLC6A5	32	42
CC(C)(C)N1CC[C@@H](NC(=O)NCC(=O)OCc2ccc(Cl)cc2)C1	ZINC000852467408	FF	On-Demand	Anodyne	SLC6A5	32	42
O=C(CCN1CC[C@H]1c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1	ZINC000852467419	GG	On-Demand	Anodyne	CNR2	15	40
O=C(CCN1CC[C@@H]1c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1	ZINC000852467420	GG	On-Demand	Anodyne	CNR2	15	40
CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852467425	FG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852467426	FG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852467427	FG	On-Demand	Anodyne	GPR119	29	42
CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852467428	FG	On-Demand	Anodyne	GPR119	29	42
NC(=O)[C@](O)(CN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852467429	DD	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852467430	DD	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@@](O)(CN1CC[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852467431	DD	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000852467432	DD	On-Demand	Anodyne	CYP2J2	44	31
C[C@H]1c2ccccc2C[C@H]1N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852467447	GG	On-Demand	Anodyne	PIK3CA	23	40
C[C@H]1c2ccccc2C[C@H]1N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852467447	GG	On-Demand	Anodyne	MTOR	47	40
C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852467448	GG	On-Demand	Anodyne	PIK3CA	23	40
C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852467448	GG	On-Demand	Anodyne	MTOR	47	40
COC[C@@H](NC(=O)NC[C@H](O)COc1cccc(F)c1)C1CCOCC1	ZINC000852467475	FD	On-Demand	Anodyne	ADRB1	27	41
COC[C@@H](NC(=O)NC[C@@H](O)COc1cccc(F)c1)C1CCOCC1	ZINC000852467476	FD	On-Demand	Anodyne	ADRB1	27	41
COC[C@H](NC(=O)NC[C@H](O)COc1cccc(F)c1)C1CCOCC1	ZINC000852467477	FD	On-Demand	Anodyne	ADRB1	27	41
COC[C@H](NC(=O)NC[C@@H](O)COc1cccc(F)c1)C1CCOCC1	ZINC000852467479	FD	On-Demand	Anodyne	ADRB1	27	41
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852467545	FH	On-Demand	Anodyne	KCNQ2	46	43
C[C@H]1c2ccccc2C[C@H]1NCC(=O)OCc1ccccc1	ZINC000852467593	CG	On-Demand	Anodyne	MME	16	42
C[C@H]1c2ccccc2C[C@H]1NCC(=O)OCc1ccccc1	ZINC000852467593	CG	On-Demand	Anodyne	CAPNS1	50	30
C[C@H]1c2ccccc2C[C@H]1NCC(=O)OCc1ccccc1	ZINC000852467593	CG	On-Demand	Anodyne	PLM1_PLAFA	17	41
C[C@H]1c2ccccc2C[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467595	EH	On-Demand	Anodyne	L3MBTL3	79	37
CCOP(=O)(OCC)[C@@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000852467610	EF	On-Demand	Anodyne	ADAM9	64	38
CCOP(=O)(OCC)[C@H](O)CN[C@@H]1Cc2ccccc2[C@@H]1C	ZINC000852467612	EF	On-Demand	Anodyne	ADAM9	64	38
CONC(=O)NCCc1ccc(C2CCCCC2)cc1	ZINC000852467618	CG	On-Demand	Anodyne	NAAA	15	47
COC[C@H](NC(=O)N1CCc2cc(Cl)nnc2C1)C1CCOCC1	ZINC000852467640	FD	On-Demand	Anodyne	MAPK1	48	40
COC[C@@H](NC(=O)N1CCc2cc(Cl)nnc2C1)C1CCOCC1	ZINC000852467641	FD	On-Demand	Anodyne	MAPK1	48	40
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852467653	DE	On-Demand	Anodyne	EPHX2	29	44
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852467653	DE	On-Demand	Anodyne	SMO	27	42
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852467654	DE	On-Demand	Anodyne	EPHX2	29	44
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852467654	DE	On-Demand	Anodyne	SMO	27	42
CC(C)(C)N1CC[C@@H](NC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852467655	DE	On-Demand	Anodyne	EPHX2	29	44
CC(C)(C)N1CC[C@@H](NC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852467655	DE	On-Demand	Anodyne	SMO	27	42
CC(C)(C)N1CC[C@@H](NC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852467656	DE	On-Demand	Anodyne	EPHX2	29	44
CC(C)(C)N1CC[C@@H](NC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852467656	DE	On-Demand	Anodyne	SMO	27	42
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852467665	FG	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852467666	FG	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852467667	FG	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CCO[C@H](CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852467668	FG	On-Demand	Anodyne	GPR119	32	42
O=C(NCCCN1CC[C@@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000852467683	DF	On-Demand	Anodyne	ADRA1D	16	42
O=C(NCCCN1CC[C@@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000852467683	DF	On-Demand	Anodyne	ADRA1A	28	42
O=C(NCCCN1CC[C@@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000852467683	DF	On-Demand	Anodyne	ADRA1B	19	42
O=C(NCCCN1CC[C@@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000852467683	DF	On-Demand	Anodyne	CCR3	25	41
O=C(NCCCN1CC[C@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000852467684	DF	On-Demand	Anodyne	ADRA1D	16	42
O=C(NCCCN1CC[C@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000852467684	DF	On-Demand	Anodyne	ADRA1A	28	42
O=C(NCCCN1CC[C@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000852467684	DF	On-Demand	Anodyne	ADRA1B	19	42
O=C(NCCCN1CC[C@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000852467684	DF	On-Demand	Anodyne	CCR3	25	41
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852467702	FF	On-Demand	Anodyne	DRD4	17	41
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852467702	FF	On-Demand	Anodyne	OPRL1	23	42
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852467702	FF	On-Demand	Anodyne	CCR1	27	42
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852467702	FF	On-Demand	Anodyne	EPHX2	41	40
CC(C)(C)N1CC[C@H](NC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852467703	FF	On-Demand	Anodyne	DRD4	17	41
CC(C)(C)N1CC[C@H](NC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852467703	FF	On-Demand	Anodyne	OPRL1	23	42
CC(C)(C)N1CC[C@H](NC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852467703	FF	On-Demand	Anodyne	CCR1	27	42
CC(C)(C)N1CC[C@H](NC(=O)NC2CCC(O)(c3ccccc3)CC2)C1	ZINC000852467703	FF	On-Demand	Anodyne	EPHX2	41	40
N#C[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467710	DG	On-Demand	Mild	PREP	18	44
N#C[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467710	DG	On-Demand	Mild	SSTR3	27	44
N#C[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467710	DG	On-Demand	Mild	L3MBTL3	87	42
N#C[C@H]1CCCC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467711	DG	On-Demand	Mild	PREP	18	44
N#C[C@H]1CCCC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467711	DG	On-Demand	Mild	SSTR3	27	44
N#C[C@H]1CCCC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467711	DG	On-Demand	Mild	L3MBTL3	87	42
N#C[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467712	DG	On-Demand	Mild	PREP	18	44
N#C[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467712	DG	On-Demand	Mild	SSTR3	27	44
N#C[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467712	DG	On-Demand	Mild	L3MBTL3	87	42
N#C[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467713	DG	On-Demand	Mild	PREP	18	44
N#C[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467713	DG	On-Demand	Mild	SSTR3	27	44
N#C[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852467713	DG	On-Demand	Mild	L3MBTL3	87	42
CC(C)(C)N1CC[C@H](NC(=O)NC2CCC(O)(c3cccnc3)CC2)C1	ZINC000852467734	FE	On-Demand	Anodyne	CCR2	19	47
CC(C)(C)N1CC[C@H](NC(=O)NC2CCC(O)(c3cccnc3)CC2)C1	ZINC000852467734	FE	On-Demand	Anodyne	EPHX2	26	42
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCC(O)(c3cccnc3)CC2)C1	ZINC000852467735	FE	On-Demand	Anodyne	CCR2	19	47
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCC(O)(c3cccnc3)CC2)C1	ZINC000852467735	FE	On-Demand	Anodyne	EPHX2	26	42
O=C1[C@@H](N2CC[C@H]2c2ccc(F)cc2)CCCN1Cc1ccccc1	ZINC000852467740	EH	On-Demand	Anodyne	SIGMAR1	26	42
O=C1[C@@H](N2CC[C@@H]2c2ccc(F)cc2)CCCN1Cc1ccccc1	ZINC000852467741	EH	On-Demand	Anodyne	SIGMAR1	26	42
O=C1[C@H](N2CC[C@H]2c2ccc(F)cc2)CCCN1Cc1ccccc1	ZINC000852467742	EH	On-Demand	Anodyne	SIGMAR1	26	42
O=C1[C@H](N2CC[C@@H]2c2ccc(F)cc2)CCCN1Cc1ccccc1	ZINC000852467743	EH	On-Demand	Anodyne	SIGMAR1	26	42
O=C(NCCNC(=O)c1ccc(Br)cn1)NNC(=O)C1CCC1	ZINC000852467778	GC	On-Demand	Reactive	TBK1	41	32
COC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852467816	GE	On-Demand	Clean	CTSS	24	44
COC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C1CCOCC1	ZINC000852467817	GE	On-Demand	Clean	CTSS	24	44
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852467820	FF	On-Demand	Anodyne	PIK3CA	41	41
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852467820	FF	On-Demand	Anodyne	MTOR	91	41
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852467820	FF	On-Demand	Anodyne	STAT6	58	35
COC[C@@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C1CCOCC1	ZINC000852467840	GG	On-Demand	Anodyne	HTR1D	25	41
COC[C@@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C1CCOCC1	ZINC000852467840	GG	On-Demand	Anodyne	HTR1B	24	41
COC[C@@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C1CCOCC1	ZINC000852467840	GG	On-Demand	Anodyne	MAPT	15	44
COC[C@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C1CCOCC1	ZINC000852467841	GG	On-Demand	Anodyne	HTR1D	25	41
COC[C@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C1CCOCC1	ZINC000852467841	GG	On-Demand	Anodyne	HTR1B	24	41
COC[C@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C1CCOCC1	ZINC000852467841	GG	On-Demand	Anodyne	MAPT	15	44
CC(C)(C)OC(=O)NCCCN1CC[C@H]1c1ccc(F)cc1	ZINC000852467851	DG	On-Demand	Anodyne	ADRA1A	53	39
CC(C)(C)OC(=O)NCCCN1CC[C@@H]1c1ccc(F)cc1	ZINC000852467852	DG	On-Demand	Anodyne	ADRA1A	53	39
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	ZINC000852467879	FE	On-Demand	Reactive	CCR3	25	41
CC(C)(C)N1CC[C@@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	ZINC000852467879	FE	On-Demand	Reactive	CXCR3	17	45
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	ZINC000852467880	FE	On-Demand	Reactive	CCR3	25	41
CC(C)(C)N1CC[C@H](NC(=O)NNC(=O)Nc2cc(F)cc(F)c2)C1	ZINC000852467880	FE	On-Demand	Reactive	CXCR3	17	45
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852467885	FF	On-Demand	Anodyne	CCR2	46	35
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852467885	FF	On-Demand	Anodyne	EPHX2	29	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852467886	FF	On-Demand	Anodyne	CCR2	46	35
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852467886	FF	On-Demand	Anodyne	EPHX2	29	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852467887	FF	On-Demand	Anodyne	CCR2	46	35
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852467887	FF	On-Demand	Anodyne	EPHX2	29	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852467888	FF	On-Demand	Anodyne	CCR2	46	35
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C1	ZINC000852467888	FF	On-Demand	Anodyne	EPHX2	29	44
NC(=O)c1c(NC(=O)CN2CC[C@H]2c2ccc(F)cc2)sc2c1CCCC2	ZINC000852467903	GG	On-Demand	Anodyne	SLC27A1	44	39
NC(=O)c1c(NC(=O)CN2CC[C@@H]2c2ccc(F)cc2)sc2c1CCCC2	ZINC000852467904	GG	On-Demand	Anodyne	SLC27A1	44	39
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]1c1ccc(F)cc1	ZINC000852467910	DG	On-Demand	Mild	SLC6A3	22	43
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[C@H]1c1ccc(F)cc1	ZINC000852467912	DG	On-Demand	Mild	SLC6A3	22	43
CC(C)(C)N1CC[C@H](NC(=O)NC2CCC(N3CCCCC3)CC2)C1	ZINC000852467915	FF	On-Demand	Anodyne	EPHX2	21	43
CC(C)(C)N1CC[C@H](NC(=O)NC2CCC(N3CCCCC3)CC2)C1	ZINC000852467915	FF	On-Demand	Anodyne	L3MBTL3	55	35
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCC(N3CCCCC3)CC2)C1	ZINC000852467916	FF	On-Demand	Anodyne	EPHX2	21	43
CC(C)(C)N1CC[C@@H](NC(=O)NC2CCC(N3CCCCC3)CC2)C1	ZINC000852467916	FF	On-Demand	Anodyne	L3MBTL3	55	35
CC(C)(C)OC(=O)N1CC[C@](O)(CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852467937	FF	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CC[C@](O)(CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852467938	FF	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CC[C@@](O)(CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852467939	FF	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CC[C@@](O)(CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852467940	FF	On-Demand	Anodyne	GPR119	32	43
C[C@H]1c2ccccc2C[C@H]1N[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852467950	FH	On-Demand	Anodyne	KCNQ2	49	47
C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852467951	FH	On-Demand	Anodyne	KCNQ2	49	47
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]2c2ccc(F)cc2)c1	ZINC000852467958	FF	On-Demand	Anodyne	CCR3	53	51
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]2c2ccc(F)cc2)c1	ZINC000852467959	FF	On-Demand	Anodyne	CCR3	53	51
COC[C@@H](NC(=O)NC[C@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852468001	ED	On-Demand	Anodyne	AMY2	45	31
COC[C@H](NC(=O)NC[C@@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852468002	ED	On-Demand	Anodyne	AMY2	45	31
COC[C@@H](NC(=O)NC[C@@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852468003	ED	On-Demand	Anodyne	AMY2	45	31
COC[C@H](NC(=O)NC[C@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852468004	ED	On-Demand	Anodyne	AMY2	45	31
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H]1c1ccc(F)cc1	ZINC000852468014	FG	On-Demand	Clean	PLA2G7	42	36
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H]1c1ccc(F)cc1	ZINC000852468015	FG	On-Demand	Clean	PLA2G7	42	36
CC(=O)NCCCN1CC[C@H]1c1ccc(F)cc1	ZINC000852468061	CE	On-Demand	Anodyne	ADRA1D	26	41
CC(=O)NCCCN1CC[C@H]1c1ccc(F)cc1	ZINC000852468061	CE	On-Demand	Anodyne	ADRA1A	44	41
CC(=O)NCCCN1CC[C@H]1c1ccc(F)cc1	ZINC000852468061	CE	On-Demand	Anodyne	ADRA1B	31	41
CC(=O)NCCCN1CC[C@H]1c1ccc(F)cc1	ZINC000852468061	CE	On-Demand	Anodyne	CCR3	38	42
CC(=O)NCCCN1CC[C@@H]1c1ccc(F)cc1	ZINC000852468062	CE	On-Demand	Anodyne	ADRA1D	26	41
CC(=O)NCCCN1CC[C@@H]1c1ccc(F)cc1	ZINC000852468062	CE	On-Demand	Anodyne	ADRA1A	44	41
CC(=O)NCCCN1CC[C@@H]1c1ccc(F)cc1	ZINC000852468062	CE	On-Demand	Anodyne	ADRA1B	31	41
CC(=O)NCCCN1CC[C@@H]1c1ccc(F)cc1	ZINC000852468062	CE	On-Demand	Anodyne	CCR3	38	42
CC(C)(C)N1CC[C@@H](NC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)C1	ZINC000852468116	FG	On-Demand	Anodyne	EPHX2	19	52
CC(C)(C)N1CC[C@@H](NC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)C1	ZINC000852468116	FG	On-Demand	Anodyne	TRPM8	25	48
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)C1	ZINC000852468117	FG	On-Demand	Anodyne	EPHX2	19	52
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)C1	ZINC000852468117	FG	On-Demand	Anodyne	TRPM8	25	48
CC(C)(C)N1CC[C@@H](NC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)C1	ZINC000852468118	FG	On-Demand	Anodyne	EPHX2	19	52
CC(C)(C)N1CC[C@@H](NC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)C1	ZINC000852468118	FG	On-Demand	Anodyne	TRPM8	25	48
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)C1	ZINC000852468119	FG	On-Demand	Anodyne	EPHX2	19	52
CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)C1	ZINC000852468119	FG	On-Demand	Anodyne	TRPM8	25	48
COc1ccc(N2CCN(C(=O)CN[C@H]3CCCC[C@@H]3C#N)CC2)cc1	ZINC000852468140	FE	On-Demand	Mild	CTSK	18	43
COc1ccc(N2CCN(C(=O)CN[C@H]3CCCC[C@@H]3C#N)CC2)cc1	ZINC000852468140	FE	On-Demand	Mild	DPP4	24	42
COc1ccc(N2CCN(C(=O)CN[C@H]3CCCC[C@H]3C#N)CC2)cc1	ZINC000852468141	FE	On-Demand	Mild	CTSK	18	43
COc1ccc(N2CCN(C(=O)CN[C@H]3CCCC[C@H]3C#N)CC2)cc1	ZINC000852468141	FE	On-Demand	Mild	DPP4	24	42
COc1ccc(N2CCN(C(=O)CN[C@@H]3CCCC[C@H]3C#N)CC2)cc1	ZINC000852468142	FE	On-Demand	Mild	CTSK	18	43
COc1ccc(N2CCN(C(=O)CN[C@@H]3CCCC[C@H]3C#N)CC2)cc1	ZINC000852468142	FE	On-Demand	Mild	DPP4	24	42
COc1ccc(N2CCN(C(=O)CN[C@@H]3CCCC[C@@H]3C#N)CC2)cc1	ZINC000852468143	FE	On-Demand	Mild	CTSK	18	43
COc1ccc(N2CCN(C(=O)CN[C@@H]3CCCC[C@@H]3C#N)CC2)cc1	ZINC000852468143	FE	On-Demand	Mild	DPP4	24	42
C[C@H]1c2ccccc2C[C@H]1NC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852468160	EH	On-Demand	Anodyne	GPR119	39	41
C[C@H]1c2ccccc2C[C@H]1NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000852468161	EH	On-Demand	Anodyne	GPR119	39	41
COc1ccc(N2CCN(C(=O)CN3CC[C@H]3c3ccc(F)cc3)CC2)cc1	ZINC000852468205	GF	On-Demand	Clean	PLA2G7	24	40
COc1ccc(N2CCN(C(=O)CN3CC[C@H]3c3ccc(F)cc3)CC2)cc1	ZINC000852468205	GF	On-Demand	Clean	CCR1	22	43
COc1ccc(N2CCN(C(=O)CN3CC[C@H]3c3ccc(F)cc3)CC2)cc1	ZINC000852468205	GF	On-Demand	Clean	SSTR1	53	45
COc1ccc(N2CCN(C(=O)CN3CC[C@H]3c3ccc(F)cc3)CC2)cc1	ZINC000852468205	GF	On-Demand	Clean	NPBWR1	66	32
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]3c3ccc(F)cc3)CC2)cc1	ZINC000852468206	GF	On-Demand	Clean	PLA2G7	24	40
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]3c3ccc(F)cc3)CC2)cc1	ZINC000852468206	GF	On-Demand	Clean	CCR1	22	43
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]3c3ccc(F)cc3)CC2)cc1	ZINC000852468206	GF	On-Demand	Clean	SSTR1	53	45
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]3c3ccc(F)cc3)CC2)cc1	ZINC000852468206	GF	On-Demand	Clean	NPBWR1	66	32
COC[C@H](NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)C1CCOCC1	ZINC000852468240	GG	On-Demand	Anodyne	CYP51A1	22	40
COC[C@@H](NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1)C1CCOCC1	ZINC000852468241	GG	On-Demand	Anodyne	CYP51A1	22	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468301	FG	On-Demand	Anodyne	ADRB3	18	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468301	FG	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468302	FG	On-Demand	Anodyne	ADRB3	18	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468302	FG	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468303	FG	On-Demand	Anodyne	ADRB3	18	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468303	FG	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468304	FG	On-Demand	Anodyne	ADRB3	18	43
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468304	FG	On-Demand	Anodyne	EPHX2	20	43
CC(C)(C)N1CC[C@@H](NC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C1	ZINC000852468309	GD	On-Demand	Anodyne	CACNA1I	45	34
CC(C)(C)N1CC[C@H](NC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C1	ZINC000852468310	GD	On-Demand	Anodyne	CACNA1I	45	34
COC[C@H](NC(=O)NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852468351	FD	On-Demand	Anodyne	CTSS	32	42
COC[C@H](NC(=O)NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852468351	FD	On-Demand	Anodyne	CAPN1	41	36
COC[C@H](NC(=O)NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852468351	FD	On-Demand	Anodyne	CAPN2	68	33
COC[C@H](NC(=O)NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852468351	FD	On-Demand	Anodyne	NPR	58	32
COC[C@@H](NC(=O)NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852468353	FD	On-Demand	Anodyne	CTSS	32	42
COC[C@@H](NC(=O)NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852468353	FD	On-Demand	Anodyne	CAPN1	41	36
COC[C@@H](NC(=O)NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852468353	FD	On-Demand	Anodyne	CAPN2	68	33
COC[C@@H](NC(=O)NCC(=O)OCc1ccccc1)C1CCOCC1	ZINC000852468353	FD	On-Demand	Anodyne	NPR	58	32
COC[C@H](NC(=O)NCCNc1ncccc1C#N)C1CCOCC1	ZINC000852468400	ED	On-Demand	Mild	ADRB1	41	31
COC[C@@H](NC(=O)NCCNc1ncccc1C#N)C1CCOCC1	ZINC000852468401	ED	On-Demand	Mild	ADRB1	41	31
CCOC(=O)N1CCC(NC(=O)CN2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852468412	FE	On-Demand	Anodyne	CCR8	34	41
CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852468413	FE	On-Demand	Anodyne	CCR8	34	41
O=C(CN1CC[C@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852468424	CG	On-Demand	Anodyne	FKBP1A	20	41
O=C(CN1CC[C@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852468424	CG	On-Demand	Anodyne	SIGMAR1	24	42
O=C(CN1CC[C@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852468424	CG	On-Demand	Anodyne	SLC12A5	64	41
O=C(CN1CC[C@@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852468425	CG	On-Demand	Anodyne	FKBP1A	20	41
O=C(CN1CC[C@@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852468425	CG	On-Demand	Anodyne	SIGMAR1	24	42
O=C(CN1CC[C@@H]1c1ccc(F)cc1)OCc1ccccc1	ZINC000852468425	CG	On-Demand	Anodyne	SLC12A5	64	41
COC[C@@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468436	GH	On-Demand	Anodyne	MAOB	18	46
COC[C@@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468436	GH	On-Demand	Anodyne	LTA4H	29	41
COC[C@@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468436	GH	On-Demand	Anodyne	TACR2	15	41
COC[C@@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468436	GH	On-Demand	Anodyne	ADAM17	24	41
COC[C@@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468436	GH	On-Demand	Anodyne	PDS	52	38
COC[C@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468437	GH	On-Demand	Anodyne	MAOB	18	46
COC[C@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468437	GH	On-Demand	Anodyne	LTA4H	29	41
COC[C@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468437	GH	On-Demand	Anodyne	TACR2	15	41
COC[C@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468437	GH	On-Demand	Anodyne	ADAM17	24	41
COC[C@H](NC(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCOCC1	ZINC000852468437	GH	On-Demand	Anodyne	PDS	52	38
COC[C@@H](NC(=O)NC[C@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468442	FE	On-Demand	Anodyne	ADRB1	31	40
COC[C@@H](NC(=O)NC[C@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468442	FE	On-Demand	Anodyne	ADRB3	43	40
COC[C@@H](NC(=O)NC[C@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468442	FE	On-Demand	Anodyne	CYP3A4	47	37
COC[C@H](NC(=O)NC[C@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468443	FE	On-Demand	Anodyne	ADRB1	31	40
COC[C@H](NC(=O)NC[C@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468443	FE	On-Demand	Anodyne	ADRB3	43	40
COC[C@H](NC(=O)NC[C@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468443	FE	On-Demand	Anodyne	CYP3A4	47	37
COC[C@@H](NC(=O)NC[C@@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468444	FE	On-Demand	Anodyne	ADRB1	31	40
COC[C@@H](NC(=O)NC[C@@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468444	FE	On-Demand	Anodyne	ADRB3	43	40
COC[C@@H](NC(=O)NC[C@@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468444	FE	On-Demand	Anodyne	CYP3A4	47	37
COC[C@H](NC(=O)NC[C@@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468445	FE	On-Demand	Anodyne	ADRB1	31	40
COC[C@H](NC(=O)NC[C@@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468445	FE	On-Demand	Anodyne	ADRB3	43	40
COC[C@H](NC(=O)NC[C@@H](O)c1cccc(Cl)c1)C1CCOCC1	ZINC000852468445	FE	On-Demand	Anodyne	CYP3A4	47	37
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852468491	EH	On-Demand	Anodyne	KCNQ2	52	44
CC(C)(C)N1CC[C@H](NC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468590	GH	On-Demand	Anodyne	EPHX2	17	42
C[C@@H](CN[C@@H]1Cc2ccccc2[C@@H]1C)NC(=O)OC(C)(C)C	ZINC000852468592	DG	On-Demand	Anodyne	FPR1	47	37
CC(C)(C)N1CC[C@@H](NC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468594	GH	On-Demand	Anodyne	EPHX2	17	42
CC(C)(C)N1CC[C@@H](NC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468602	GH	On-Demand	Anodyne	EPHX2	17	42
CC(C)(C)N1CC[C@H](NC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1	ZINC000852468609	GH	On-Demand	Anodyne	EPHX2	17	42
CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1	ZINC000852468620	EF	On-Demand	Clean	F2	16	42
CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1	ZINC000852468620	EF	On-Demand	Clean	P2RX7	40	39
CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1	ZINC000852468620	EF	On-Demand	Clean	CACNA1I	41	32
CC(C)(C)N1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1	ZINC000852468621	EF	On-Demand	Clean	F2	16	42
CC(C)(C)N1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1	ZINC000852468621	EF	On-Demand	Clean	P2RX7	40	39
CC(C)(C)N1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1	ZINC000852468621	EF	On-Demand	Clean	CACNA1I	41	32
Cc1ccccc1CC(=O)NNC(=O)N[C@H]1CCN(C(C)(C)C)C1	ZINC000852468638	ED	On-Demand	Reactive	CCR8	57	32
Cc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCN(C(C)(C)C)C1	ZINC000852468639	ED	On-Demand	Reactive	CCR8	57	32
C[C@H](C#N)OCCN1CC[C@@H]1c1ccc(F)cc1	ZINC000852468644	BF	On-Demand	Mild	SLC6A3	29	40
C[C@@H](C#N)OCCN1CC[C@H]1c1ccc(F)cc1	ZINC000852468645	BF	On-Demand	Mild	SLC6A3	29	40
C[C@H](C#N)OCCN1CC[C@H]1c1ccc(F)cc1	ZINC000852468646	BF	On-Demand	Mild	SLC6A3	29	40
C[C@@H](C#N)OCCN1CC[C@@H]1c1ccc(F)cc1	ZINC000852468647	BF	On-Demand	Mild	SLC6A3	29	40
CC(C)(C)N1CC[C@H](NC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)C1	ZINC000852468656	GG	On-Demand	Anodyne	EPHX2	21	41
CC(C)(C)N1CC[C@@H](NC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)C1	ZINC000852468657	GG	On-Demand	Anodyne	EPHX2	21	41
CCOC(=O)N1CCN(C(=O)CN[C@H]2CCCC[C@H]2C#N)CC1	ZINC000852468670	DC	On-Demand	Mild	DPP4	21	47
CCOC(=O)N1CCN(C(=O)CN[C@H]2CCCC[C@@H]2C#N)CC1	ZINC000852468671	DC	On-Demand	Mild	DPP4	21	47
CCOC(=O)N1CCN(C(=O)CN[C@@H]2CCCC[C@H]2C#N)CC1	ZINC000852468672	DC	On-Demand	Mild	DPP4	21	47
CCOC(=O)N1CCN(C(=O)CN[C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000852468673	DC	On-Demand	Mild	DPP4	21	47
COC[C@H](NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)C1CCOCC1	ZINC000852468727	GG	On-Demand	Anodyne	CHRNA10	39	45
COC[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(Cl)cc1)C1CCOCC1	ZINC000852468728	GG	On-Demand	Anodyne	CHRNA10	39	45
CC(C)(C)N1CC[C@@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)C1	ZINC000852468796	EF	On-Demand	Reactive	CCR2	68	38
CC(C)(C)N1CC[C@@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)C1	ZINC000852468796	EF	On-Demand	Reactive	MAP3K12	32	40
CC(C)(C)N1CC[C@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)C1	ZINC000852468797	EF	On-Demand	Reactive	CCR2	68	38
CC(C)(C)N1CC[C@H](NC(=O)NNc2cc(C(F)(F)F)ccn2)C1	ZINC000852468797	EF	On-Demand	Reactive	MAP3K12	32	40
O=C(CN1CC[C@H]1c1ccc(F)cc1)NOCc1ccccc1	ZINC000852468830	DF	On-Demand	Anodyne	GRIN2B	26	40
O=C(CN1CC[C@H]1c1ccc(F)cc1)NOCc1ccccc1	ZINC000852468830	DF	On-Demand	Anodyne	SIGMAR1	24	42
O=C(CN1CC[C@@H]1c1ccc(F)cc1)NOCc1ccccc1	ZINC000852468831	DF	On-Demand	Anodyne	GRIN2B	26	40
O=C(CN1CC[C@@H]1c1ccc(F)cc1)NOCc1ccccc1	ZINC000852468831	DF	On-Demand	Anodyne	SIGMAR1	24	42
Fc1ccc([C@H]2CCN2CCOC(F)F)cc1	ZINC000852468843	BF	On-Demand	Anodyne	SLC6A4	17	42
Fc1ccc([C@H]2CCN2CCOC(F)F)cc1	ZINC000852468843	BF	On-Demand	Anodyne	SLC6A3	43	46
Fc1ccc([C@@H]2CCN2CCOC(F)F)cc1	ZINC000852468844	BF	On-Demand	Anodyne	SLC6A4	17	42
Fc1ccc([C@@H]2CCN2CCOC(F)F)cc1	ZINC000852468844	BF	On-Demand	Anodyne	SLC6A3	43	46
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852468891	FE	On-Demand	Anodyne	P2RY12	45	35
CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852468892	FE	On-Demand	Anodyne	P2RY12	45	35
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852468893	FE	On-Demand	Anodyne	P2RY12	45	35
CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852468894	FE	On-Demand	Anodyne	P2RY12	45	35
CCOC(=O)C1=C(CN2CC[C@H]2c2ccc(F)cc2)NC(=O)N[C@@H]1C	ZINC000852468926	EE	On-Demand	Anodyne	SLC27A4	74	34
CCOC(=O)C1=C(CN2CC[C@@H]2c2ccc(F)cc2)NC(=O)N[C@@H]1C	ZINC000852468927	EE	On-Demand	Anodyne	SLC27A4	74	34
CCOC(=O)C1=C(CN2CC[C@H]2c2ccc(F)cc2)NC(=O)N[C@H]1C	ZINC000852468928	EE	On-Demand	Anodyne	SLC27A4	74	34
CCOC(=O)C1=C(CN2CC[C@@H]2c2ccc(F)cc2)NC(=O)N[C@H]1C	ZINC000852468929	EE	On-Demand	Anodyne	SLC27A4	74	34
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852469034	GG	On-Demand	Anodyne	EPHX2	18	44
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852469034	GG	On-Demand	Anodyne	GPR119	36	43
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852469035	GG	On-Demand	Anodyne	EPHX2	18	44
CC(C)(C)OC(=O)N1CCC(CCNC(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852469035	GG	On-Demand	Anodyne	GPR119	36	43
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852469036	FG	On-Demand	Anodyne	DRD4	19	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@H](O)c2cccc3ccccc23)C1	ZINC000852469037	FG	On-Demand	Anodyne	DRD4	19	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852469038	FG	On-Demand	Anodyne	DRD4	19	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@H](O)c2cccc3ccccc23)C1	ZINC000852469039	FG	On-Demand	Anodyne	DRD4	19	40
Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852469052	FG	On-Demand	Anodyne	CCR8	50	35
Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852469053	FG	On-Demand	Anodyne	CCR8	50	35
Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852469054	FG	On-Demand	Anodyne	CCR8	50	35
Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1	ZINC000852469055	FG	On-Demand	Anodyne	CCR8	50	35
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1	ZINC000852469060	FH	On-Demand	Anodyne	SLC27A1	39	42
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1	ZINC000852469061	FH	On-Demand	Anodyne	SLC27A1	39	42
COC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CCOCC1	ZINC000852469081	GD	On-Demand	Anodyne	ACE	29	40
COC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CCOCC1	ZINC000852469081	GD	On-Demand	Anodyne	MME	21	40
COC[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C1CCOCC1	ZINC000852469082	GD	On-Demand	Anodyne	ACE	29	40
COC[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C1CCOCC1	ZINC000852469082	GD	On-Demand	Anodyne	MME	21	40
COC[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C1CCOCC1	ZINC000852469083	GD	On-Demand	Anodyne	ACE	29	40
COC[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C1CCOCC1	ZINC000852469083	GD	On-Demand	Anodyne	MME	21	40
COC[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CCOCC1	ZINC000852469084	GD	On-Demand	Anodyne	ACE	29	40
COC[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CCOCC1	ZINC000852469084	GD	On-Demand	Anodyne	MME	21	40
CC(C)(C)N1CC[C@H](NC(=O)N2CCCN(c3ncccc3F)CC2)C1	ZINC000852469090	FE	On-Demand	Anodyne	TRPV1	17	53
CC(C)(C)N1CC[C@H](NC(=O)N2CCCN(c3ncccc3F)CC2)C1	ZINC000852469090	FE	On-Demand	Anodyne	PRKCQ	40	31
CC(C)(C)N1CC[C@@H](NC(=O)N2CCCN(c3ncccc3F)CC2)C1	ZINC000852469093	FE	On-Demand	Anodyne	TRPV1	17	53
CC(C)(C)N1CC[C@@H](NC(=O)N2CCCN(c3ncccc3F)CC2)C1	ZINC000852469093	FE	On-Demand	Anodyne	PRKCQ	40	31
CC(C)(C)N1CC[C@@H](NC(=O)NNc2ccccc2S(C)(=O)=O)C1	ZINC000852469104	FD	On-Demand	Reactive	CCR8	65	32
CC(C)(C)N1CC[C@H](NC(=O)NNc2ccccc2S(C)(=O)=O)C1	ZINC000852469108	FD	On-Demand	Reactive	CCR8	65	32
CC(C)(C)OC(=O)N1CCN(CCN2CC[C@@H]2c2ccc(F)cc2)CC1	ZINC000852469125	FG	On-Demand	Anodyne	GPR119	47	45
CC(C)(C)OC(=O)N1CCN(CCN2CC[C@H]2c2ccc(F)cc2)CC1	ZINC000852469128	FG	On-Demand	Anodyne	GPR119	47	45
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2Cc3ccccc3[C@@H]2C)c1	ZINC000852469140	EE	On-Demand	Reactive	KCNK3	53	38
Cc1cccc(C(=O)NNC(=O)CN[C@@H]2Cc3ccccc3[C@@H]2C)c1	ZINC000852469140	EE	On-Demand	Reactive	KCNK9	43	38
CC(C)(C)N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	ZINC000852469211	FG	On-Demand	Clean	CACNA1H	17	41
CC(C)(C)N1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1	ZINC000852469213	FG	On-Demand	Clean	CACNA1H	17	41
CC(C)(C)OC(=O)N1CC(CN2CC[C@H]2c2ccc(F)cc2)C1	ZINC000852469406	DG	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)OC(=O)N1CC(CN2CC[C@@H]2c2ccc(F)cc2)C1	ZINC000852469407	DG	On-Demand	Anodyne	GPR119	42	44
CC(C)(C)N1CC[C@H](NC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)C1	ZINC000852469476	GG	On-Demand	Anodyne	EPHX2	18	40
CC(C)(C)N1CC[C@@H](NC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)C1	ZINC000852469479	GG	On-Demand	Anodyne	EPHX2	18	40
C[C@H]1c2ccccc2C[C@H]1N[C@H]1CCOC1=O	ZINC000852469489	BD	On-Demand	Anodyne	LUXR	64	37
C[C@H]1c2ccccc2C[C@H]1N[C@H]1CCOC1=O	ZINC000852469489	BD	On-Demand	Anodyne	TRAR	76	37
C[C@H]1c2ccccc2C[C@H]1N[C@H]1CCOC1=O	ZINC000852469489	BD	On-Demand	Anodyne	LASR	53	37
C[C@H]1c2ccccc2C[C@H]1N[C@@H]1CCOC1=O	ZINC000852469490	BD	On-Demand	Anodyne	LUXR	64	37
C[C@H]1c2ccccc2C[C@H]1N[C@@H]1CCOC1=O	ZINC000852469490	BD	On-Demand	Anodyne	TRAR	76	37
C[C@H]1c2ccccc2C[C@H]1N[C@@H]1CCOC1=O	ZINC000852469490	BD	On-Demand	Anodyne	LASR	53	37
N#C[C@H]1CCCC[C@@H]1NCCOc1cccc(F)c1	ZINC000852469501	CF	On-Demand	Mild	CHRNA10	39	41
N#C[C@H]1CCCC[C@H]1NCCOc1cccc(F)c1	ZINC000852469504	CF	On-Demand	Mild	CHRNA10	39	41
N#C[C@@H]1CCCC[C@H]1NCCOc1cccc(F)c1	ZINC000852469507	CF	On-Demand	Mild	CHRNA10	39	41
N#C[C@@H]1CCCC[C@@H]1NCCOc1cccc(F)c1	ZINC000852469509	CF	On-Demand	Mild	CHRNA10	39	41
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]2c2ccc(F)cc2)c1	ZINC000852469510	EE	On-Demand	Reactive	KCNK3	58	40
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]2c2ccc(F)cc2)c1	ZINC000852469510	EE	On-Demand	Reactive	KCNK9	44	40
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]2c2ccc(F)cc2)c1	ZINC000852469511	EE	On-Demand	Reactive	KCNK3	58	40
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]2c2ccc(F)cc2)c1	ZINC000852469511	EE	On-Demand	Reactive	KCNK9	44	40
CCOC(=O)C1=C(CN2CC[C@@H]2c2ccc(F)cc2)NC(=O)N[C@H]1c1ccco1	ZINC000852469552	GG	On-Demand	Anodyne	SLC27A4	53	31
CCOC(=O)C1=C(CN2CC[C@H]2c2ccc(F)cc2)NC(=O)N[C@H]1c1ccco1	ZINC000852469555	GG	On-Demand	Anodyne	SLC27A4	53	31
CCOC(=O)C1=C(CN2CC[C@H]2c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccco1	ZINC000852469559	GG	On-Demand	Anodyne	SLC27A4	53	31
CCOC(=O)C1=C(CN2CC[C@@H]2c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccco1	ZINC000852469561	GG	On-Demand	Anodyne	SLC27A4	53	31
C[C@H]1c2ccccc2C[C@H]1NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852469590	GF	On-Demand	Bother	SSTR1	84	58
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@H]2C#N)NC(=O)N[C@@H]1C	ZINC000852469611	DD	On-Demand	Mild	SLC27A4	43	31
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@@H]2C#N)NC(=O)N[C@@H]1C	ZINC000852469612	DD	On-Demand	Mild	SLC27A4	43	31
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@@H]2C#N)NC(=O)N[C@H]1C	ZINC000852469613	DD	On-Demand	Mild	SLC27A4	43	31
CCOC(=O)C1=C(CN[C@@H]2CCCC[C@H]2C#N)NC(=O)N[C@H]1C	ZINC000852469614	DD	On-Demand	Mild	SLC27A4	43	31
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)C1	ZINC000852469615	FF	On-Demand	Anodyne	SLC6A5	15	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)C1	ZINC000852469615	FF	On-Demand	Anodyne	EPHX2	19	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)C1	ZINC000852469616	FF	On-Demand	Anodyne	SLC6A5	15	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@](C)(O)c2cccc(Cl)c2)C1	ZINC000852469616	FF	On-Demand	Anodyne	EPHX2	19	44
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)C1	ZINC000852469617	FF	On-Demand	Anodyne	SLC6A5	15	41
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)C1	ZINC000852469617	FF	On-Demand	Anodyne	EPHX2	19	44
CC(C)(C)N1CC[C@H](NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)C1	ZINC000852469618	FF	On-Demand	Anodyne	SLC6A5	15	41
CC(C)(C)N1CC[C@H](NC(=O)NC[C@](C)(O)c2cccc(Cl)c2)C1	ZINC000852469618	FF	On-Demand	Anodyne	EPHX2	19	44
CCOC(=O)N1CCC(NC(=O)CN[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852469693	FE	On-Demand	Anodyne	CCR8	29	41
CC(C)(C)N1CC[C@H](NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1	ZINC000852469714	GD	On-Demand	Anodyne	EPHX2	20	41
CC(C)(C)N1CC[C@@H](NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1	ZINC000852469716	GD	On-Demand	Anodyne	EPHX2	20	41
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469727	FG	On-Demand	Anodyne	PIK3CA	35	43
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469727	FG	On-Demand	Anodyne	MTOR	73	43
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469727	FG	On-Demand	Anodyne	EPHX2	21	44
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469727	FG	On-Demand	Anodyne	PIK3CG	23	43
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469727	FG	On-Demand	Anodyne	STAT6	63	39
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469727	FG	On-Demand	Anodyne	SLC27A1	34	41
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469729	FG	On-Demand	Anodyne	PIK3CA	35	43
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469729	FG	On-Demand	Anodyne	MTOR	73	43
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469729	FG	On-Demand	Anodyne	EPHX2	21	44
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469729	FG	On-Demand	Anodyne	PIK3CG	23	43
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469729	FG	On-Demand	Anodyne	STAT6	63	39
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1	ZINC000852469729	FG	On-Demand	Anodyne	SLC27A1	34	41
CCOC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852469742	FD	On-Demand	Anodyne	GHRHR	42	32
CCOC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852469742	FD	On-Demand	Anodyne	P2RY12	123	40
CCOC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852469742	FD	On-Demand	Anodyne	ADAM9	45	34
CCOC(=O)N1CCN(C(=O)[C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852469744	FD	On-Demand	Anodyne	GHRHR	42	32
CCOC(=O)N1CCN(C(=O)[C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852469744	FD	On-Demand	Anodyne	P2RY12	123	40
CCOC(=O)N1CCN(C(=O)[C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852469744	FD	On-Demand	Anodyne	ADAM9	45	34
O=C(CN1CC[C@H]1c1ccc(F)cc1)Nc1cccnc1Cl	ZINC000852469747	DG	On-Demand	Anodyne	G2YM83_BOTF4	68	36
O=C(CN1CC[C@@H]1c1ccc(F)cc1)Nc1cccnc1Cl	ZINC000852469749	DG	On-Demand	Anodyne	G2YM83_BOTF4	68	36
C[C@H]1c2ccccc2C[C@H]1NCc1cc(=O)oc2cc(O)ccc12	ZINC000852469750	DG	On-Demand	Anodyne	MAOB	15	41
C[C@H]1c2ccccc2C[C@H]1NCc1cc(=O)oc2cc(O)ccc12	ZINC000852469750	DG	On-Demand	Anodyne	HSD17B3	38	50
Fc1ccc([C@@H]2CCN2Cc2ccc(Cl)nc2)cc1	ZINC000852469930	CH	On-Demand	Anodyne	CHRNA4	26	42
Fc1ccc([C@@H]2CCN2Cc2ccc(Cl)nc2)cc1	ZINC000852469930	CH	On-Demand	Anodyne	ACHP_LYMST	18	42
Fc1ccc([C@@H]2CCN2Cc2ccc(Cl)nc2)cc1	ZINC000852469930	CH	On-Demand	Anodyne	Q8WSF8_APLCA	52	41
Fc1ccc([C@@H]2CCN2Cc2ccc(Cl)nc2)cc1	ZINC000852469930	CH	On-Demand	Anodyne	NACHRBETA2	53	42
Fc1ccc([C@H]2CCN2Cc2ccc(Cl)nc2)cc1	ZINC000852469931	CH	On-Demand	Anodyne	CHRNA4	26	42
Fc1ccc([C@H]2CCN2Cc2ccc(Cl)nc2)cc1	ZINC000852469931	CH	On-Demand	Anodyne	ACHP_LYMST	18	42
Fc1ccc([C@H]2CCN2Cc2ccc(Cl)nc2)cc1	ZINC000852469931	CH	On-Demand	Anodyne	Q8WSF8_APLCA	52	41
Fc1ccc([C@H]2CCN2Cc2ccc(Cl)nc2)cc1	ZINC000852469931	CH	On-Demand	Anodyne	NACHRBETA2	53	42
C[C@H](CN1CC[C@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C	ZINC000852469932	DG	On-Demand	Anodyne	PAPA1_CARPA	22	40
C[C@H](CN1CC[C@@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C	ZINC000852469933	DG	On-Demand	Anodyne	PAPA1_CARPA	22	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@@](C)(O)c2ccc(F)cc2)C1	ZINC000852469950	EE	On-Demand	Anodyne	CACNA1G	34	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@@](C)(O)c2ccc(F)cc2)C1	ZINC000852469951	EE	On-Demand	Anodyne	CACNA1G	34	40
CC(C)(C)N1CC[C@@H](NC(=O)NC[C@](C)(O)c2ccc(F)cc2)C1	ZINC000852469952	EE	On-Demand	Anodyne	CACNA1G	34	40
CC(C)(C)N1CC[C@H](NC(=O)NC[C@](C)(O)c2ccc(F)cc2)C1	ZINC000852469953	EE	On-Demand	Anodyne	CACNA1G	34	40
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469989	FE	On-Demand	Anodyne	ACE	42	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469989	FE	On-Demand	Anodyne	DRD4	23	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469989	FE	On-Demand	Anodyne	MME	26	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469989	FE	On-Demand	Anodyne	SIGMAR1	21	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469989	FE	On-Demand	Anodyne	BIRC2	53	38
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469990	FE	On-Demand	Anodyne	ACE	42	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469990	FE	On-Demand	Anodyne	DRD4	23	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469990	FE	On-Demand	Anodyne	MME	26	42
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469990	FE	On-Demand	Anodyne	SIGMAR1	21	41
CC(C)(C)N1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469990	FE	On-Demand	Anodyne	BIRC2	53	38
CC(C)(C)N1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469991	FE	On-Demand	Anodyne	ACE	42	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469991	FE	On-Demand	Anodyne	DRD4	23	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469991	FE	On-Demand	Anodyne	MME	26	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469991	FE	On-Demand	Anodyne	SIGMAR1	21	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469991	FE	On-Demand	Anodyne	BIRC2	53	38
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469992	FE	On-Demand	Anodyne	ACE	42	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469992	FE	On-Demand	Anodyne	DRD4	23	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469992	FE	On-Demand	Anodyne	MME	26	42
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469992	FE	On-Demand	Anodyne	SIGMAR1	21	41
CC(C)(C)N1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1	ZINC000852469992	FE	On-Demand	Anodyne	BIRC2	53	38
CC(C)(C)OC(=O)NCc1nc(CN2CC[C@H]2c2ccc(F)cc2)no1	ZINC000852469995	FG	On-Demand	Anodyne	PANC	46	36
CC(C)(C)OC(=O)NCc1nc(CN2CC[C@@H]2c2ccc(F)cc2)no1	ZINC000852469996	FG	On-Demand	Anodyne	PANC	46	36
COC[C@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470002	FD	On-Demand	Anodyne	KLK3	56	34
COC[C@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470002	FD	On-Demand	Anodyne	CTSB	44	37
COC[C@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470002	FD	On-Demand	Anodyne	PAPA1_CARPA	59	34
COC[C@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470002	FD	On-Demand	Anodyne	CTSK	29	42
COC[C@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470002	FD	On-Demand	Anodyne	CAPNS1	59	34
COC[C@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470002	FD	On-Demand	Anodyne	CAPN1	69	39
COC[C@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470002	FD	On-Demand	Anodyne	CAPN2	106	36
COC[C@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470002	FD	On-Demand	Anodyne	NPR	70	34
COC[C@@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470003	FD	On-Demand	Anodyne	KLK3	56	34
COC[C@@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470003	FD	On-Demand	Anodyne	CTSB	44	37
COC[C@@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470003	FD	On-Demand	Anodyne	PAPA1_CARPA	59	34
COC[C@@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470003	FD	On-Demand	Anodyne	CTSK	29	42
COC[C@@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470003	FD	On-Demand	Anodyne	CAPNS1	59	34
COC[C@@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470003	FD	On-Demand	Anodyne	CAPN1	69	39
COC[C@@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470003	FD	On-Demand	Anodyne	CAPN2	106	36
COC[C@@H](NC(=O)N[C@H](C)C(=O)OCc1ccccc1)C1CCOCC1	ZINC000852470003	FD	On-Demand	Anodyne	NPR	70	34
COC[C@H](NC(=O)N(C)C[C@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852470037	FD	On-Demand	Anodyne	AMY2	56	34
COC[C@@H](NC(=O)N(C)C[C@@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852470038	FD	On-Demand	Anodyne	AMY2	56	34
COC[C@@H](NC(=O)N(C)C[C@](C)(O)c1ccccc1)C1CCOCC1	ZINC000852470039	FD	On-Demand	Anodyne	AMY2	56	34
Cn1cc([C@@H](O)CNC(=O)NCCc2ccc(C3CCCCC3)cc2)cn1	ZINC000852470090	FG	On-Demand	Anodyne	ADRB3	27	40
COC[C@H](NC(=O)NNC(=O)Nc1ccc(OC)cc1)C1CCOCC1	ZINC000852470135	FD	On-Demand	Reactive	EPHX2	19	44
COC[C@@H](NC(=O)NNC(=O)Nc1ccc(OC)cc1)C1CCOCC1	ZINC000852470136	FD	On-Demand	Reactive	EPHX2	19	44
C[C@H]1c2ccccc2C[C@H]1NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852470281	GG	On-Demand	Anodyne	MTOR	71	39
C[C@H]1c2ccccc2C[C@H]1NCCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852470281	GG	On-Demand	Anodyne	STAT6	47	33
C[C@H]1c2ccccc2C[C@H]1NCC(=O)Nc1cccnc1Cl	ZINC000852470338	DF	On-Demand	Anodyne	G2YM83_BOTF4	76	44
CCN1CCC[C@H](CN(C)CCCOc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1	ZINC000852470394	GG	On-Demand	Mild	HRH3	18	45
CCN1CCC[C@H](CN(C)CCCOc2ccc(C#N)cc2)[C@H]1c1cnn(C)c1	ZINC000852470396	GG	On-Demand	Mild	HRH3	18	45
COC[C@H](NC(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CCOCC1	ZINC000852470423	FE	On-Demand	Reactive	EPHX2	17	42
COC[C@@H](NC(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CCOCC1	ZINC000852470424	FE	On-Demand	Reactive	EPHX2	17	42
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2Cc3ccccc3[C@@H]2C)cc1	ZINC000852470452	FF	On-Demand	Anodyne	ADRB2	44	44
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2Cc3ccccc3[C@@H]2C)cc1	ZINC000852470452	FF	On-Demand	Anodyne	ADRB1	61	43
COC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2Cc3ccccc3[C@@H]2C)cc1	ZINC000852470452	FF	On-Demand	Anodyne	ADRB3	41	43
COC(=O)c1ccc(OC[C@H](O)CN[C@@H]2Cc3ccccc3[C@@H]2C)cc1	ZINC000852470453	FF	On-Demand	Anodyne	ADRB2	44	44
COC(=O)c1ccc(OC[C@H](O)CN[C@@H]2Cc3ccccc3[C@@H]2C)cc1	ZINC000852470453	FF	On-Demand	Anodyne	ADRB1	61	43
COC(=O)c1ccc(OC[C@H](O)CN[C@@H]2Cc3ccccc3[C@@H]2C)cc1	ZINC000852470453	FF	On-Demand	Anodyne	ADRB3	41	43
COC[C@H](NC(=O)N1CCN(c2ccnc(F)c2)CC1)C1CCOCC1	ZINC000852470459	FD	On-Demand	Anodyne	MAPK1	41	35
COC[C@@H](NC(=O)N1CCN(c2ccnc(F)c2)CC1)C1CCOCC1	ZINC000852470460	FD	On-Demand	Anodyne	MAPK1	41	35
COC[C@@H](NC(=O)NNc1ccc(Cl)cn1)C1CCOCC1	ZINC000852470470	ED	On-Demand	Reactive	F10	46	31
COC[C@H](NC(=O)NNc1ccc(Cl)cn1)C1CCOCC1	ZINC000852470471	ED	On-Demand	Reactive	F10	46	31
C[C@H]1c2ccccc2C[C@H]1N[C@H](C)C(=O)Nc1cccnc1Cl	ZINC000852470524	EG	On-Demand	Anodyne	G2YM83_BOTF4	73	44
C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C(=O)Nc1cccnc1Cl	ZINC000852470525	EG	On-Demand	Anodyne	G2YM83_BOTF4	73	44
COC[C@H](NC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1)C1CCOCC1	ZINC000852470539	GF	On-Demand	Anodyne	CTSS	22	40
COC[C@@H](NC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1)C1CCOCC1	ZINC000852470540	GF	On-Demand	Anodyne	CTSS	22	40
COC[C@@H](NC(=O)N1CCC([C@H](O)c2ccccc2C)CC1)C1CCOCC1	ZINC000852470541	GF	On-Demand	Anodyne	CTSS	22	40
COC[C@H](NC(=O)N1CCC([C@H](O)c2ccccc2C)CC1)C1CCOCC1	ZINC000852470542	GF	On-Demand	Anodyne	CTSS	22	40
C[C@H]1c2ccccc2C[C@H]1NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852470571	GG	On-Demand	Anodyne	VIPR1	26	42
CCOC(=O)N1CCN(C(=O)CN[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852470642	ED	On-Demand	Anodyne	P2RY12	53	42
CCOC(=O)N1CCN(C(=O)CN[C@@H]2Cc3ccccc3[C@@H]2C)CC1	ZINC000852470642	ED	On-Demand	Anodyne	ADAM9	50	35
COC[C@@H](O)CNC(=O)NCCc1ccc(C2CCCCC2)cc1	ZINC000852470700	EF	On-Demand	Anodyne	ADRB1	44	40
O=C(Cc1ccncc1)NNC(=O)NCCc1ccc(C2CCCCC2)cc1	ZINC000852470703	GG	On-Demand	Reactive	CA5B	17	45
O=C(Cc1ccncc1)NNC(=O)NCCc1ccc(C2CCCCC2)cc1	ZINC000852470703	GG	On-Demand	Reactive	CA5A	15	45
COc1ccc2c(CN[C@@H]3Cc4ccccc4[C@@H]3C)cc(=O)oc2c1	ZINC000852470777	EH	On-Demand	Anodyne	MAOB	35	46
COc1ccc([C@@H](NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C2CC2)cc1	ZINC000852470834	JG	On-Demand	Anodyne	PSMB8	44	31
COc1ccc([C@H](NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C2CC2)cc1	ZINC000852470835	JG	On-Demand	Anodyne	PSMB8	44	31
COc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1OC	ZINC000852470836	JG	On-Demand	Anodyne	CPT1A	83	39
COc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1OC	ZINC000852470836	JG	On-Demand	Anodyne	UTS2R	21	41
CCCCCNC(=O)[C@@H](C)OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O	ZINC000852470875	GF	On-Demand	Anodyne	ASAH1	92	39
CCCCCNC(=O)[C@H](C)OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O	ZINC000852470876	GF	On-Demand	Anodyne	ASAH1	92	39
Cc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCO3)CC2)cc1	ZINC000852470960	DE	On-Demand	Anodyne	TNK2	30	41
Cc1nnc(CN(C)CC(=O)Nc2cccnc2Cl)o1	ZINC000852471004	CD	On-Demand	Anodyne	G2YM83_BOTF4	68	34
C[C@H]1C[C@H](c2ccccc2)N(C(=O)NC[C@@H]2CCCO2)C1	ZINC000852471017	CF	On-Demand	Anodyne	PDE8B	20	42
Cc1nnc(CN(C)Cc2cccc([N+](=O)[O-])c2Br)o1	ZINC000852471069	EF	On-Demand	Bother	COLA	71	32
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	OPRM1	18	41
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	OPRD1	17	41
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	MME	22	42
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	KLK3	55	33
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	CTSB	56	39
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	PAPA1_CARPA	55	35
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	CYSP_TRYCR	40	37
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	PREP	19	40
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	CAPNS1	65	35
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	CAPN1	82	59
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	CAPN2	129	59
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	NPR	78	35
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	TNK2	42	36
C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)OCc1ccccc1	ZINC000852471077	DD	On-Demand	Anodyne	SLC12A5	49	34
CCN1CCC[C@H](CN(C)CCOc2cccc(F)c2)[C@@H]1c1cnn(C)c1	ZINC000852471118	FG	On-Demand	Anodyne	CHRNA10	39	40
CCN1CCC[C@H](CN(C)CCOc2cccc(F)c2)[C@H]1c1cnn(C)c1	ZINC000852471119	FG	On-Demand	Anodyne	CHRNA10	39	40
CC[C@@H](NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1	ZINC000852471141	JH	On-Demand	Anodyne	UTS2	43	34
CC[C@H](NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1	ZINC000852471142	JH	On-Demand	Anodyne	UTS2	43	34
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2nnc(C)o2)c1	ZINC000852471198	DC	On-Demand	Reactive	KCNK3	53	38
Cc1cccc(C(=O)NNC(=O)CN(C)Cc2nnc(C)o2)c1	ZINC000852471198	DC	On-Demand	Reactive	KCNK9	42	38
CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1	ZINC000852471284	JD	On-Demand	Anodyne	P2RY12	60	39
CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1	ZINC000852471285	JD	On-Demand	Anodyne	P2RY12	60	39
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1	ZINC000852471305	JE	On-Demand	Anodyne	FDFT1	17	41
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1	ZINC000852471305	JE	On-Demand	Anodyne	DPP7	47	33
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1	ZINC000852471307	JE	On-Demand	Anodyne	FDFT1	17	41
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1	ZINC000852471307	JE	On-Demand	Anodyne	DPP7	47	33
Cc1nnc(CN(C)CCC2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000852471330	EF	On-Demand	Anodyne	GPR119	39	41
Cc1nnc(CN(C)CC2CCN(C(=O)OCc3ccccc3)CC2)o1	ZINC000852471360	FF	On-Demand	Anodyne	GRIN2B	44	52
Cc1nnc(CN(C)CC2CCN(C(=O)OCc3ccccc3)CC2)o1	ZINC000852471360	FF	On-Demand	Anodyne	TGM2	23	44
Cc1nnc(CN(C)CC2CCN(C(=O)OCc3ccccc3)CC2)o1	ZINC000852471360	FF	On-Demand	Anodyne	F13A1	31	44
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1CCCO1	ZINC000852471381	ED	On-Demand	Clean	TNK2	23	42
Cc1nnc(CN(C)CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)o1	ZINC000852471390	GD	On-Demand	Anodyne	VIPR1	24	40
Cc1nnc(CN(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1	ZINC000852471407	FD	On-Demand	Bother	SSTR1	61	52
C=CCCC1(CNC(=O)N2CC[C@H](c3ccccn3)C2)CCCC1	ZINC000852471449	EI	On-Demand	Mild	SMO	24	42
C=CCCC1(CNC(=O)N2CC[C@@H](c3ccccn3)C2)CCCC1	ZINC000852471450	EI	On-Demand	Mild	SMO	24	42
Cc1nnc(CN(C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)o1	ZINC000852471499	DF	On-Demand	Anodyne	LUCI_PHOPY	86	49
Cc1nnc(CN(C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)o1	ZINC000852471500	DF	On-Demand	Anodyne	LUCI_PHOPY	86	49
Cc1nnc(CN(C)C[C@@H](O)c2ccccc2)o1	ZINC000852471519	BD	On-Demand	Anodyne	AOC3	24	48
Cc1nnc(CN(C)C[C@H](O)c2ccccc2)o1	ZINC000852471520	BD	On-Demand	Anodyne	AOC3	24	48
CCOc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nnc(C)o3)c2C)cc1	ZINC000852471551	GG	On-Demand	Clean	CACNA2D1	66	41
Cc1nnc(CN(C)CCCC2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000852471584	FG	On-Demand	Anodyne	GPR119	36	43
Cc1nnc(CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)o1	ZINC000852471603	FD	On-Demand	Anodyne	MTOR	65	38
Cc1nnc(CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)o1	ZINC000852471603	FD	On-Demand	Anodyne	STAT6	61	35
COC(=O)[C@@]1(NCC(=O)Nc2ccc3nc(O)[nH]c3c2)CC[C@@H](C)CC1	ZINC000852471640	FD	On-Demand	Anodyne	ENPP1	55	31
COC(=O)[C@@]1(NCC(=O)Nc2cccnc2Cl)CC[C@@H](C)CC1	ZINC000852471656	EE	On-Demand	Anodyne	G2YM83_BOTF4	74	39
COC(=O)[C@@]1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H](C)CC1	ZINC000852471662	EE	On-Demand	Bother	SLC27A4	52	34
COC(=O)[C@@]1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H](C)CC1	ZINC000852471663	EE	On-Demand	Bother	SLC27A4	52	34
CC[C@@H](C)c1ccc(NC(=O)CN(C)Cc2nnc(C)o2)cc1	ZINC000852471671	DF	On-Demand	Anodyne	SCN2A	16	46
C[C@@H](OC(=O)CCCSc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852471690	JI	On-Demand	Anodyne	MC4R	101	46
COC(=O)[C@@]1(NCc2cccnc2Cl)CC[C@@H](C)CC1	ZINC000852471699	CF	On-Demand	Anodyne	G2YM83_BOTF4	61	38
COC(=O)[C@@]1(NCC(=O)NOCc2ccccc2)CC[C@@H](C)CC1	ZINC000852471722	ED	On-Demand	Anodyne	SLC12A5	64	40
COC(=O)[C@@]1(NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H](C)CC1	ZINC000852471724	GD	On-Demand	Reactive	CACNA1C	60	38
COC(=O)[C@@]1(NCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@H](C)CC1	ZINC000852471724	GD	On-Demand	Reactive	CACNA1D	93	38
CN(C[C@@H](O)c1cccnc1)C1CC(C)(C)CC(C)(C)C1	ZINC000852471734	CH	On-Demand	Anodyne	CYP51A1	17	41
Cc1nnc(CN(C)CCOc2ccc3c(C)cc(=O)oc3c2)o1	ZINC000852471735	EE	On-Demand	Anodyne	MAOA	80	56
Cc1nnc(CN(C)CCOc2ccc3c(C)cc(=O)oc3c2)o1	ZINC000852471735	EE	On-Demand	Anodyne	MAOB	54	56
Cc1nnc(CN(C)Cc2ccc(C(=O)N3CCCC3)cc2)o1	ZINC000852471742	DE	On-Demand	Anodyne	L3MBTL3	56	38
CCOC(=O)Nc1ccc2c(CN(C)Cc3nnc(C)o3)cc(=O)oc2c1	ZINC000852471743	FF	On-Demand	Anodyne	MMP12	18	41
COC(=O)[C@@]1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H](C)CC1	ZINC000852471745	EE	On-Demand	Bother	CACNA1C	65	41
COC(=O)[C@@]1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H](C)CC1	ZINC000852471745	EE	On-Demand	Bother	CACNA1D	96	39
COC(=O)[C@@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H](C)CC1	ZINC000852471746	EE	On-Demand	Bother	CACNA1C	65	41
COC(=O)[C@@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H](C)CC1	ZINC000852471746	EE	On-Demand	Bother	CACNA1D	96	39
COC(=O)[C@@]1(NC[C@H](O)c2cccnc2)CC[C@@H](C)CC1	ZINC000852471755	CD	On-Demand	Anodyne	ADRB1	19	40
COC(=O)[C@@]1(NC[C@H](O)c2cccnc2)CC[C@@H](C)CC1	ZINC000852471755	CD	On-Demand	Anodyne	ADRB3	62	44
COC(=O)[C@@]1(NC[C@H](O)c2cccnc2)CC[C@@H](C)CC1	ZINC000852471755	CD	On-Demand	Anodyne	KCNA5	20	40
COC(=O)[C@@]1(NC[C@@H](O)c2cccnc2)CC[C@@H](C)CC1	ZINC000852471756	CD	On-Demand	Anodyne	ADRB1	19	40
COC(=O)[C@@]1(NC[C@@H](O)c2cccnc2)CC[C@@H](C)CC1	ZINC000852471756	CD	On-Demand	Anodyne	ADRB3	62	44
COC(=O)[C@@]1(NC[C@@H](O)c2cccnc2)CC[C@@H](C)CC1	ZINC000852471756	CD	On-Demand	Anodyne	KCNA5	20	40
Cc1nnc(CN(C)Cc2cnc(Cl)s2)o1	ZINC000852471784	CE	On-Demand	Anodyne	NACHRBETA2	15	41
Cc1nnc(CN(C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1	ZINC000852471793	GE	On-Demand	Anodyne	CTSD	29	44
Cc1nnc(CN(C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1	ZINC000852471793	GE	On-Demand	Anodyne	PGC	57	38
Cc1nnc(CN(C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1	ZINC000852471793	GE	On-Demand	Anodyne	PAPA1_CARPA	34	40
Cc1nnc(CN(C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1	ZINC000852471793	GE	On-Demand	Anodyne	REN	71	44
Cc1nnc(CN(C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1	ZINC000852471793	GE	On-Demand	Anodyne	REN1	17	43
Cc1nnc(CN(C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1	ZINC000852471793	GE	On-Demand	Anodyne	BACE1	20	42
Cc1nnc(CN(C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1	ZINC000852471793	GE	On-Demand	Anodyne	FPR1	46	39
COC(=O)[C@@]1(NCc2cc(=O)oc3cc(O)ccc23)CC[C@@H](C)CC1	ZINC000852471804	EF	On-Demand	Anodyne	HSD17B3	34	50
COC(=O)[C@@]1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H](C)CC1	ZINC000852471815	FF	On-Demand	Bother	CACNA1C	52	36
COC(=O)[C@@]1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H](C)CC1	ZINC000852471815	FF	On-Demand	Bother	CACNA1D	79	36
COC(=O)[C@@]1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[C@@H](C)CC1	ZINC000852471815	FF	On-Demand	Bother	SLC27A4	49	32
C=CCCC1(CNC(=O)NNC(=O)c2ccc(OCC)c(OC)c2)CCCC1	ZINC000852471819	GH	On-Demand	Reactive	HCN1	61	35
C=CCCC1(CNC(=O)NNC(=O)c2ccc(OCC)c(OC)c2)CCCC1	ZINC000852471819	GH	On-Demand	Reactive	HCN4	53	34
O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(N2CCCCC2)nc1	ZINC000852471852	JH	On-Demand	Anodyne	PRNP	35	40
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA2	118	49
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA6	23	49
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA1	103	49
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA7	77	49
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA13	23	49
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA5B	41	43
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA4	75	48
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA5A	42	49
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA14	79	47
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA12	87	49
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA9	95	49
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CAH_METTE	23	41
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CYNT	33	43
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	NCE103	22	42
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	CA15	17	42
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	MTCA1	31	42
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	P96878_MYCTU	40	42
COC(=O)[C@@]1(NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H](C)CC1	ZINC000852471859	FD	On-Demand	Anodyne	A6YCJ1_9METZ	26	45
COC(=O)[C@@]1(N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC[C@@H](C)CC1	ZINC000852471868	FF	On-Demand	Anodyne	SLC12A5	42	34
COC(=O)[C@@]1(N[C@H]2CCCN(Cc3ccccc3)C2=O)CC[C@@H](C)CC1	ZINC000852471869	FF	On-Demand	Anodyne	SLC12A5	42	34
COC(=O)[C@@]1(NCc2ccc(-n3ccnc3)nc2)CC[C@@H](C)CC1	ZINC000852471891	EE	On-Demand	Anodyne	NOS2	66	37
C=CCCC1(CNC(=O)NNC(=O)COc2ccccc2O)CCCC1	ZINC000852471901	FF	On-Demand	Reactive	HCN1	43	32
C=CCCC1(CNC(=O)NNC(=O)COc2ccccc2O)CCCC1	ZINC000852471901	FF	On-Demand	Reactive	HCN4	40	31
COC(=O)[C@@]1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H](C)CC1	ZINC000852471944	GF	On-Demand	Bother	CACNA1D	40	33
COC(=O)[C@@]1(NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H](C)CC1	ZINC000852471944	GF	On-Demand	Bother	SLC27A4	42	31
Cc1nnc(CN(C)Cc2cc(=O)oc3cc(O)ccc23)o1	ZINC000852471947	DD	On-Demand	Anodyne	MAOB	18	41
Cc1nnc(CN(C)Cc2cc(=O)oc3cc(O)ccc23)o1	ZINC000852471947	DD	On-Demand	Anodyne	HSD17B3	45	57
COC(=O)[C@@]1(NCc2cc(=O)oc3cc(OC)ccc23)CC[C@@H](C)CC1	ZINC000852471986	FG	On-Demand	Anodyne	MAOB	29	42
COc1ccc2c(CN(C)Cc3nnc(C)o3)cc(=O)oc2c1	ZINC000852471989	DE	On-Demand	Anodyne	CYP19A1	15	49
COc1ccc2c(CN(C)Cc3nnc(C)o3)cc(=O)oc2c1	ZINC000852471989	DE	On-Demand	Anodyne	CYP11B1	16	41
COc1ccc2c(CN(C)Cc3nnc(C)o3)cc(=O)oc2c1	ZINC000852471989	DE	On-Demand	Anodyne	MAOA	45	43
COc1ccc2c(CN(C)Cc3nnc(C)o3)cc(=O)oc2c1	ZINC000852471989	DE	On-Demand	Anodyne	MAOB	45	47
COC(=O)[C@@]1(NCc2ccc(OC)cc2)CC[C@@H](C)CC1	ZINC000852471995	CF	On-Demand	Anodyne	CA9	16	40
COC(=O)[C@@]1(NCc2ccc(OC)cc2)CC[C@@H](C)CC1	ZINC000852471995	CF	On-Demand	Anodyne	MMP1	26	40
CC(=O)c1ccc(N2CCN(C(=O)CN(C)Cc3nnc(C)o3)CC2)c(F)c1	ZINC000852472041	GD	On-Demand	Anodyne	NPY2R	58	34
CC(=O)c1ccc(N2CCN(C(=O)CN(C)Cc3nnc(C)o3)CC2)c(F)c1	ZINC000852472041	GD	On-Demand	Anodyne	SLC6A9	15	46
COC(=O)[C@@]1(NCc2nc(C)c3ccccc3n2)CC[C@@H](C)CC1	ZINC000852472052	EG	On-Demand	Anodyne	ADAM17	45	35
COC(=O)[C@@]1(NCC(=O)Nc2ccccc2C(=O)NC2CC2)CC[C@@H](C)CC1	ZINC000852472053	GE	On-Demand	Anodyne	CNR2	15	44
COC(=O)[C@@]1(NC[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H](C)CC1	ZINC000852472070	GF	On-Demand	Anodyne	GPR119	23	41
COC(=O)[C@@]1(NC[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H](C)CC1	ZINC000852472071	GF	On-Demand	Anodyne	GPR119	23	41
CCOC(=O)C1=C(CN(C)Cc2nnc(C)o2)NC(=O)N[C@H]1c1ccccc1	ZINC000852472078	GD	On-Demand	Anodyne	SLC27A4	77	36
CCOC(=O)C1=C(CN(C)Cc2nnc(C)o2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852472079	GD	On-Demand	Anodyne	SLC27A4	77	36
COC(=O)[C@@]1(NCC(=O)NNC(=O)c2cccc(C)c2)CC[C@@H](C)CC1	ZINC000852472084	FD	On-Demand	Reactive	KCNK3	52	36
COC(=O)[C@@]1(NCC(=O)NNC(=O)c2cccc(C)c2)CC[C@@H](C)CC1	ZINC000852472084	FD	On-Demand	Reactive	KCNK9	42	36
COC(=O)[C@@]1(NC[C@H](O)c2cccc(Cl)c2)CC[C@@H](C)CC1	ZINC000852472085	EG	On-Demand	Anodyne	ADRB1	38	46
COC(=O)[C@@]1(NC[C@H](O)c2cccc(Cl)c2)CC[C@@H](C)CC1	ZINC000852472085	EG	On-Demand	Anodyne	ADRB3	54	45
COC(=O)[C@@]1(NC[C@H](O)c2cccc(Cl)c2)CC[C@@H](C)CC1	ZINC000852472085	EG	On-Demand	Anodyne	CYP3A4	44	35
COC(=O)[C@@]1(NC[C@@H](O)c2cccc(Cl)c2)CC[C@@H](C)CC1	ZINC000852472086	EG	On-Demand	Anodyne	ADRB1	38	46
COC(=O)[C@@]1(NC[C@@H](O)c2cccc(Cl)c2)CC[C@@H](C)CC1	ZINC000852472086	EG	On-Demand	Anodyne	ADRB3	54	45
COC(=O)[C@@]1(NC[C@@H](O)c2cccc(Cl)c2)CC[C@@H](C)CC1	ZINC000852472086	EG	On-Demand	Anodyne	CYP3A4	44	35
COC(=O)[C@@]1(NCC(=O)OCc2ccccc2)CC[C@@H](C)CC1	ZINC000852472109	DE	On-Demand	Anodyne	CTSK	21	40
COC(=O)[C@@]1(NCC(=O)OCc2ccccc2)CC[C@@H](C)CC1	ZINC000852472109	DE	On-Demand	Anodyne	SLC12A5	73	41
COC(=O)[C@@]1(NCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H](C)CC1	ZINC000852472113	GD	On-Demand	Reactive	SLC27A4	50	33
COC(=O)[C@@]1(NC[C@H](O)c2ccccc2Cl)CC[C@@H](C)CC1	ZINC000852472114	EG	On-Demand	Anodyne	OPRL1	38	41
C=CCCC1(CNC(=O)NNC(=O)Cc2ccccc2OC)CCCC1	ZINC000852472117	FG	On-Demand	Reactive	KCNA3	41	36
C=CCCC1(CNC(=O)NNC(=O)Cc2ccccc2OC)CCCC1	ZINC000852472117	FG	On-Demand	Reactive	HCN1	50	34
C=CCCC1(CNC(=O)NNC(=O)Cc2ccccc2OC)CCCC1	ZINC000852472117	FG	On-Demand	Reactive	HCN4	48	34
C=CCCC1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCCC1	ZINC000852472135	FH	On-Demand	Reactive	NMBR	76	31
C=CCCC1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCCC1	ZINC000852472135	FH	On-Demand	Reactive	GRPR	40	31
C=CCCC1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCCC1	ZINC000852472135	FH	On-Demand	Reactive	HCN1	52	33
C=CCCC1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCCC1	ZINC000852472135	FH	On-Demand	Reactive	HCN4	48	31
COC(=O)[C@@]1(NCC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H](C)CC1	ZINC000852472185	GE	On-Demand	Anodyne	MTOR	66	37
COC(=O)[C@@]1(NCC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H](C)CC1	ZINC000852472185	GE	On-Demand	Anodyne	STAT6	54	35
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472198	FH	On-Demand	Anodyne	SIGMAR1	26	44
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472198	FH	On-Demand	Anodyne	SLC18A3	21	40
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472198	FH	On-Demand	Anodyne	PREP	41	41
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472198	FH	On-Demand	Anodyne	RBP4	45	34
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472199	FH	On-Demand	Anodyne	SIGMAR1	26	44
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472199	FH	On-Demand	Anodyne	SLC18A3	21	40
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472199	FH	On-Demand	Anodyne	PREP	41	41
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472199	FH	On-Demand	Anodyne	RBP4	45	34
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472200	FH	On-Demand	Anodyne	SIGMAR1	26	44
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472200	FH	On-Demand	Anodyne	SLC18A3	21	40
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472200	FH	On-Demand	Anodyne	PREP	41	41
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472200	FH	On-Demand	Anodyne	RBP4	45	34
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472201	FH	On-Demand	Anodyne	SIGMAR1	26	44
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472201	FH	On-Demand	Anodyne	SLC18A3	21	40
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472201	FH	On-Demand	Anodyne	PREP	41	41
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2ccccc2)C1)C(F)(F)F	ZINC000852472201	FH	On-Demand	Anodyne	RBP4	45	34
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F	ZINC000852472232	GH	On-Demand	Bother	SSTR1	18	40
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F	ZINC000852472233	GH	On-Demand	Bother	SSTR1	18	40
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F	ZINC000852472234	GH	On-Demand	Bother	SSTR1	18	40
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F	ZINC000852472235	GH	On-Demand	Bother	SSTR1	18	40
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472318	GI	On-Demand	Anodyne	SLC6A1	48	34
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472318	GI	On-Demand	Anodyne	HRH3	62	51
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472318	GI	On-Demand	Anodyne	CPT1A	56	35
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472318	GI	On-Demand	Anodyne	MEN1	42	35
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472319	GI	On-Demand	Anodyne	SLC6A1	48	34
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472319	GI	On-Demand	Anodyne	HRH3	62	51
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472319	GI	On-Demand	Anodyne	CPT1A	56	35
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472319	GI	On-Demand	Anodyne	MEN1	42	35
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472320	GI	On-Demand	Anodyne	SLC6A1	48	34
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472320	GI	On-Demand	Anodyne	HRH3	62	51
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472320	GI	On-Demand	Anodyne	CPT1A	56	35
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472320	GI	On-Demand	Anodyne	MEN1	42	35
O=C(N1CCC[C@H]([C@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472321	GI	On-Demand	Anodyne	SLC6A1	48	34
O=C(N1CCC[C@H]([C@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472321	GI	On-Demand	Anodyne	HRH3	62	51
O=C(N1CCC[C@H]([C@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472321	GI	On-Demand	Anodyne	CPT1A	56	35
O=C(N1CCC[C@H]([C@H]2CCCCN2CCCOc2ccccc2)C1)C(F)(F)F	ZINC000852472321	GI	On-Demand	Anodyne	MEN1	42	35
O=C(CCN1CCC[C@@H]1c1nccc(C(F)(F)F)n1)N1CCCC1	ZINC000852472504	EF	On-Demand	Anodyne	ETHR	46	33
O=C(CCN1CCC[C@H]1c1nccc(C(F)(F)F)n1)N1CCCC1	ZINC000852472505	EF	On-Demand	Anodyne	ETHR	46	33
O=C(N1CCC[C@H]([C@@H]2CCCCN2C[C@@H](O)Cc2ccccc2)C1)C(F)(F)F	ZINC000852472538	GG	On-Demand	Anodyne	PREP	27	41
O=C(N1CCC[C@H]([C@H]2CCCCN2C[C@@H](O)Cc2ccccc2)C1)C(F)(F)F	ZINC000852472540	GG	On-Demand	Anodyne	PREP	27	41
O=C(N1CCC[C@H]([C@H]2CCCCN2C[C@H](O)Cc2ccccc2)C1)C(F)(F)F	ZINC000852472542	GG	On-Demand	Anodyne	PREP	27	41
O=C(N1CCC[C@H]([C@@H]2CCCCN2C[C@H](O)Cc2ccccc2)C1)C(F)(F)F	ZINC000852472545	GG	On-Demand	Anodyne	PREP	27	41
O=C(N1CCC[C@H]([C@H]2CCCCN2CCc2ccncc2)C1)C(F)(F)F	ZINC000852472617	FG	On-Demand	Anodyne	HRH3	26	42
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCc2ccncc2)C1)C(F)(F)F	ZINC000852472619	FG	On-Demand	Anodyne	HRH3	26	42
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCc2ccncc2)C1)C(F)(F)F	ZINC000852472621	FG	On-Demand	Anodyne	HRH3	26	42
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCc2ccncc2)C1)C(F)(F)F	ZINC000852472623	FG	On-Demand	Anodyne	HRH3	26	42
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2ccc(F)cc2)C1)C(F)(F)F	ZINC000852472633	FH	On-Demand	Anodyne	SLC18A3	20	44
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2ccc(F)cc2)C1)C(F)(F)F	ZINC000852472635	FH	On-Demand	Anodyne	SLC18A3	20	44
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2ccc(F)cc2)C1)C(F)(F)F	ZINC000852472637	FH	On-Demand	Anodyne	SLC18A3	20	44
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2ccc(F)cc2)C1)C(F)(F)F	ZINC000852472638	FH	On-Demand	Anodyne	SLC18A3	20	44
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCc2ccccc2F)C1)C(F)(F)F	ZINC000852472696	GI	On-Demand	Anodyne	SLC6A1	49	35
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCc2ccccc2F)C1)C(F)(F)F	ZINC000852472696	GI	On-Demand	Anodyne	CACNA1G	15	40
O=C(N1CCC[C@H]([C@H]2CCCCN2CCc2ccccc2F)C1)C(F)(F)F	ZINC000852472697	GI	On-Demand	Anodyne	SLC6A1	49	35
O=C(N1CCC[C@H]([C@H]2CCCCN2CCc2ccccc2F)C1)C(F)(F)F	ZINC000852472697	GI	On-Demand	Anodyne	CACNA1G	15	40
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCc2ccccc2F)C1)C(F)(F)F	ZINC000852472698	GI	On-Demand	Anodyne	SLC6A1	49	35
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCc2ccccc2F)C1)C(F)(F)F	ZINC000852472698	GI	On-Demand	Anodyne	CACNA1G	15	40
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCc2ccccc2F)C1)C(F)(F)F	ZINC000852472699	GI	On-Demand	Anodyne	SLC6A1	49	35
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCc2ccccc2F)C1)C(F)(F)F	ZINC000852472699	GI	On-Demand	Anodyne	CACNA1G	15	40
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472945	GH	On-Demand	Anodyne	SLC6A1	53	35
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472945	GH	On-Demand	Anodyne	LTA4H	43	43
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472945	GH	On-Demand	Anodyne	HRH3	31	46
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472945	GH	On-Demand	Anodyne	CPT1A	66	36
O=C(N1CCC[C@H]([C@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472947	GH	On-Demand	Anodyne	SLC6A1	53	35
O=C(N1CCC[C@H]([C@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472947	GH	On-Demand	Anodyne	LTA4H	43	43
O=C(N1CCC[C@H]([C@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472947	GH	On-Demand	Anodyne	HRH3	31	46
O=C(N1CCC[C@H]([C@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472947	GH	On-Demand	Anodyne	CPT1A	66	36
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472949	GH	On-Demand	Anodyne	SLC6A1	53	35
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472949	GH	On-Demand	Anodyne	LTA4H	43	43
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472949	GH	On-Demand	Anodyne	HRH3	31	46
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472949	GH	On-Demand	Anodyne	CPT1A	66	36
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472951	GH	On-Demand	Anodyne	SLC6A1	53	35
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472951	GH	On-Demand	Anodyne	LTA4H	43	43
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472951	GH	On-Demand	Anodyne	HRH3	31	46
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOc2ccccc2)C1)C(F)(F)F	ZINC000852472951	GH	On-Demand	Anodyne	CPT1A	66	36
O=C(CCN1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852473060	GH	On-Demand	Anodyne	SLC6A1	72	36
O=C(CCN1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852473060	GH	On-Demand	Anodyne	CYP2J2	45	32
O=C(CCN1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852473061	GH	On-Demand	Anodyne	SLC6A1	72	36
O=C(CCN1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852473061	GH	On-Demand	Anodyne	CYP2J2	45	32
O=C(CCN1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852473062	GH	On-Demand	Anodyne	SLC6A1	72	36
O=C(CCN1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852473062	GH	On-Demand	Anodyne	CYP2J2	45	32
O=C(CCN1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852473063	GH	On-Demand	Anodyne	SLC6A1	72	36
O=C(CCN1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccccc1	ZINC000852473063	GH	On-Demand	Anodyne	CYP2J2	45	32
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473148	GI	On-Demand	Anodyne	HRH3	15	41
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473148	GI	On-Demand	Anodyne	SIGMAR1	21	44
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473148	GI	On-Demand	Anodyne	PREP	69	46
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473149	GI	On-Demand	Anodyne	HRH3	15	41
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473149	GI	On-Demand	Anodyne	SIGMAR1	21	44
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473149	GI	On-Demand	Anodyne	PREP	69	46
O=C(N1CCC[C@H]([C@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473150	GI	On-Demand	Anodyne	HRH3	15	41
O=C(N1CCC[C@H]([C@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473150	GI	On-Demand	Anodyne	SIGMAR1	21	44
O=C(N1CCC[C@H]([C@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473150	GI	On-Demand	Anodyne	PREP	69	46
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473151	GI	On-Demand	Anodyne	HRH3	15	41
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473151	GI	On-Demand	Anodyne	SIGMAR1	21	44
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCCc2ccccc2)C1)C(F)(F)F	ZINC000852473151	GI	On-Demand	Anodyne	PREP	69	46
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2ccc(Cl)nc2)C1)C(F)(F)F	ZINC000852473199	GH	On-Demand	Anodyne	NACHRBETA2	41	34
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2ccc(Cl)nc2)C1)C(F)(F)F	ZINC000852473200	GH	On-Demand	Anodyne	NACHRBETA2	41	34
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2ccc(Cl)nc2)C1)C(F)(F)F	ZINC000852473201	GH	On-Demand	Anodyne	NACHRBETA2	41	34
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2ccc(Cl)nc2)C1)C(F)(F)F	ZINC000852473202	GH	On-Demand	Anodyne	NACHRBETA2	41	34
CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1	ZINC000852473331	JE	On-Demand	Anodyne	P2RY12	58	39
CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1	ZINC000852473332	JE	On-Demand	Anodyne	P2RY12	58	39
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	KLK3	49	33
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	CTSB	53	37
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	PAPA1_CARPA	61	34
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	CYSP_TRYCR	50	36
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	CTSK	33	40
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	CTSL	40	34
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	CAPNS1	60	34
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	CAPN1	73	38
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	CAPN2	120	36
C[C@H]1C[C@H](NC(=O)N[C@H](C)C(=O)OCc2ccccc2)c2ncnn21	ZINC000852473335	ED	On-Demand	Anodyne	NPR	59	32
Cn1cc(CCN2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cn1	ZINC000852473345	FF	On-Demand	Anodyne	HRH3	16	41
Cn1cc(CCN2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cn1	ZINC000852473346	FF	On-Demand	Anodyne	HRH3	16	41
Cn1cc(CCN2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cn1	ZINC000852473347	FF	On-Demand	Anodyne	HRH3	16	41
Cn1cc(CCN2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cn1	ZINC000852473348	FF	On-Demand	Anodyne	HRH3	16	41
O=C(N1CCC[C@H]([C@H]2CCCCN2CCc2cccnc2)C1)C(F)(F)F	ZINC000852473373	FG	On-Demand	Anodyne	HRH3	20	45
O=C(N1CCC[C@H]([C@H]2CCCCN2CCc2cccnc2)C1)C(F)(F)F	ZINC000852473373	FG	On-Demand	Anodyne	CHRNA7	43	36
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCc2cccnc2)C1)C(F)(F)F	ZINC000852473374	FG	On-Demand	Anodyne	HRH3	20	45
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCc2cccnc2)C1)C(F)(F)F	ZINC000852473374	FG	On-Demand	Anodyne	CHRNA7	43	36
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCc2cccnc2)C1)C(F)(F)F	ZINC000852473375	FG	On-Demand	Anodyne	HRH3	20	45
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCc2cccnc2)C1)C(F)(F)F	ZINC000852473375	FG	On-Demand	Anodyne	CHRNA7	43	36
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCc2cccnc2)C1)C(F)(F)F	ZINC000852473376	FG	On-Demand	Anodyne	HRH3	20	45
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCc2cccnc2)C1)C(F)(F)F	ZINC000852473376	FG	On-Demand	Anodyne	CHRNA7	43	36
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2cccnc2)C1)C(F)(F)F	ZINC000852473377	FG	On-Demand	Anodyne	CHRNA7	40	34
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2cccnc2)C1)C(F)(F)F	ZINC000852473378	FG	On-Demand	Anodyne	CHRNA7	40	34
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2cccnc2)C1)C(F)(F)F	ZINC000852473379	FG	On-Demand	Anodyne	CHRNA7	40	34
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2cccnc2)C1)C(F)(F)F	ZINC000852473380	FG	On-Demand	Anodyne	CHRNA7	40	34
O=C(NCc1cccnc1N1CCCC1)N[C@@H](CO)C[C@H](O)c1ccccc1	ZINC000852473495	GD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@@H](CO)C[C@H](O)c1ccccc1	ZINC000852473495	GD	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N[C@H](CO)C[C@H](O)c1ccccc1	ZINC000852473496	GD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@H](CO)C[C@H](O)c1ccccc1	ZINC000852473496	GD	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N[C@H](CO)C[C@@H](O)c1ccccc1	ZINC000852473497	GD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@H](CO)C[C@@H](O)c1ccccc1	ZINC000852473497	GD	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N[C@@H](CO)C[C@@H](O)c1ccccc1	ZINC000852473498	GD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@@H](CO)C[C@@H](O)c1ccccc1	ZINC000852473498	GD	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852473499	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852473499	GF	On-Demand	Anodyne	EPHX2	25	50
O=C(NCc1cccnc1N1CCCC1)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852473499	GF	On-Demand	Anodyne	SCN10A	21	41
C[C@@H]1CN(C[C@H](O)c2ccccc2Cl)C[C@@H](C)C1=O	ZINC000852473523	CF	On-Demand	Anodyne	OPRL1	48	38
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	CTSD	98	46
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	PGC	64	41
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	CMA1	33	40
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	CTRA_BOVIN	15	40
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	PAPA1_CARPA	40	44
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	CTSK	21	47
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	CTSL	23	44
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	PGA	40	41
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	BACE2	49	38
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	TACR3	16	41
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	REN	89	48
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	REN1	20	44
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	BACE1	82	43
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	FPR1	54	40
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	CTRB_BOVIN	29	42
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	PLM1_PLAFA	22	40
C[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C)C1=O	ZINC000852473541	GF	On-Demand	Anodyne	PLM2_PLAFA	45	33
O=C(NCc1cccnc1N1CCCC1)NNc1cc(C(F)(F)F)ccn1	ZINC000852473548	GF	On-Demand	Reactive	TRPV1	38	42
O=C(NCc1cccnc1N1CCCC1)NNc1cc(C(F)(F)F)ccn1	ZINC000852473548	GF	On-Demand	Reactive	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NNc1cc(C(F)(F)F)ccn1	ZINC000852473548	GF	On-Demand	Reactive	SCN10A	22	43
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1F	ZINC000852473561	FE	On-Demand	Anodyne	SCN2A	19	44
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1F	ZINC000852473561	FE	On-Demand	Anodyne	SCN10A	30	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1F	ZINC000852473564	FE	On-Demand	Anodyne	SCN2A	19	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1F	ZINC000852473564	FE	On-Demand	Anodyne	SCN10A	30	44
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O	ZINC000852473583	ED	On-Demand	Anodyne	PIK3CA	50	40
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O	ZINC000852473583	ED	On-Demand	Anodyne	MTOR	110	40
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O	ZINC000852473583	ED	On-Demand	Anodyne	EPHX2	20	46
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O	ZINC000852473583	ED	On-Demand	Anodyne	PIK3CG	38	40
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O	ZINC000852473583	ED	On-Demand	Anodyne	STAT6	57	32
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1cc(F)cc(F)c1	ZINC000852473591	GE	On-Demand	Reactive	TRPV1	22	41
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1cc(F)cc(F)c1	ZINC000852473591	GE	On-Demand	Reactive	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1cc(F)cc(F)c1	ZINC000852473591	GE	On-Demand	Reactive	SCN10A	20	46
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1cc(F)cc(F)c1	ZINC000852473591	GE	On-Demand	Reactive	NAMPT	42	39
C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)C1=O	ZINC000852473594	FD	On-Demand	Bother	SSTR1	58	50
C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)C1=O	ZINC000852473594	FD	On-Demand	Bother	KCNJ1	22	40
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(-n2ccnc2)nn1	ZINC000852473598	GD	On-Demand	Reactive	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(-n2ccnc2)nn1	ZINC000852473598	GD	On-Demand	Reactive	NOS2	59	32
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(-n2ccnc2)nn1	ZINC000852473598	GD	On-Demand	Reactive	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)NNc1cccc(F)n1	ZINC000852473602	EE	On-Demand	Reactive	TRPV1	16	40
O=C(NCc1cccnc1N1CCCC1)NNc1cccc(F)n1	ZINC000852473602	EE	On-Demand	Reactive	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NNc1cccc(F)n1	ZINC000852473602	EE	On-Demand	Reactive	SCN10A	20	47
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CC1)OCCCO2	ZINC000852473603	FE	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CC1)OCCCO2	ZINC000852473603	FE	On-Demand	Anodyne	SCN10A	20	46
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cc2ccccc2s1	ZINC000852473605	GG	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cc2ccccc2s1	ZINC000852473605	GG	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cc2ccccc2s1	ZINC000852473606	GG	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cc2ccccc2s1	ZINC000852473606	GG	On-Demand	Anodyne	SCN10A	18	41
C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C[C@@H](C)C1=O	ZINC000852473612	GG	On-Demand	Anodyne	NR2E3	60	32
O=C(NCc1cccnc1N1CCCC1)NNc1cccnn1	ZINC000852473613	DD	On-Demand	Reactive	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NNc1cccnn1	ZINC000852473613	DD	On-Demand	Reactive	SCN10A	20	45
CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1cccnc1N1CCCC1	ZINC000852473615	GF	On-Demand	Anodyne	SCN2A	18	43
CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1cccnc1N1CCCC1	ZINC000852473615	GF	On-Demand	Anodyne	SCN10A	19	43
Cc1cc([C@@](C)(O)CNC(=O)NCc2cccnc2N2CCCC2)c(C)o1	ZINC000852473616	FF	On-Demand	Anodyne	SCN2A	17	41
Cc1cc([C@@](C)(O)CNC(=O)NCc2cccnc2N2CCCC2)c(C)o1	ZINC000852473616	FF	On-Demand	Anodyne	SCN10A	19	41
O=C(NCc1cccnc1N1CCCC1)N1CCC(c2cn[nH]c2)CC1	ZINC000852473619	FE	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N1CCC(c2cn[nH]c2)CC1	ZINC000852473619	FE	On-Demand	Anodyne	EPHX2	21	45
O=C(NCc1cccnc1N1CCCC1)N1CCC(c2cn[nH]c2)CC1	ZINC000852473619	FE	On-Demand	Anodyne	SCN10A	20	46
O=C(NCc1cccnc1N1CCCC1)N1CCN(c2cccc(F)n2)CC1	ZINC000852473629	GE	On-Demand	Anodyne	TRPV1	19	42
O=C(NCc1cccnc1N1CCCC1)N1CCN(c2cccc(F)n2)CC1	ZINC000852473629	GE	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCN(c2cccc(F)n2)CC1	ZINC000852473629	GE	On-Demand	Anodyne	SCN10A	19	44
C[C@@H]1CN(CCC(=O)OCc2ccccc2)C[C@@H](C)C1=O	ZINC000852473631	CE	On-Demand	Anodyne	NPR	49	33
C[C@@H]1CN(CCC(=O)OCc2ccccc2)C[C@@H](C)C1=O	ZINC000852473631	CE	On-Demand	Anodyne	NAAA	43	40
C[C@@H]1CN(CCC(=O)OCc2ccccc2)C[C@@H](C)C1=O	ZINC000852473631	CE	On-Demand	Anodyne	SLC12A5	61	36
C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O	ZINC000852473633	CD	On-Demand	Bother	CACNA1C	45	36
C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O	ZINC000852473633	CD	On-Demand	Bother	CACNA1D	68	36
C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O	ZINC000852473634	CD	On-Demand	Bother	CACNA1C	45	36
C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O	ZINC000852473634	CD	On-Demand	Bother	CACNA1D	68	36
CS(=O)(=O)c1ccccc1NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473637	GD	On-Demand	Reactive	KCNQ2	48	34
CS(=O)(=O)c1ccccc1NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473637	GD	On-Demand	Reactive	SCN2A	18	44
CS(=O)(=O)c1ccccc1NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473637	GD	On-Demand	Reactive	SCN10A	19	44
C[C@@H]1CN(CC(=O)Nc2ccc3ccccc3c2)C[C@@H](C)C1=O	ZINC000852473638	DF	On-Demand	Anodyne	DRD4	17	41
C[C@@H]1CN(CC(=O)Nc2ccc3ccccc3c2)C[C@@H](C)C1=O	ZINC000852473638	DF	On-Demand	Anodyne	IMDH_CRYPV	51	46
CCn1cc([C@@H]2CN(C(=O)NCc3cccnc3N3CCCC3)CCO2)cn1	ZINC000852473641	GE	On-Demand	Anodyne	SCN2A	16	40
CCn1cc([C@@H]2CN(C(=O)NCc3cccnc3N3CCCC3)CCO2)cn1	ZINC000852473641	GE	On-Demand	Anodyne	SCN10A	19	40
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2ccccc2)CC1	ZINC000852473643	GG	On-Demand	Anodyne	GRIN2B	18	46
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2ccccc2)CC1	ZINC000852473643	GG	On-Demand	Anodyne	SIGMAR1	17	40
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2ccccc2)CC1	ZINC000852473643	GG	On-Demand	Anodyne	SCN2A	18	42
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2ccccc2)CC1	ZINC000852473643	GG	On-Demand	Anodyne	EPHX2	31	48
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2ccccc2)CC1	ZINC000852473643	GG	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852473645	GF	On-Demand	Reactive	PPIA	33	47
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852473645	GF	On-Demand	Reactive	KCNQ2	28	41
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852473645	GF	On-Demand	Reactive	TRPV1	24	53
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852473645	GF	On-Demand	Reactive	P2RX7	30	44
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852473645	GF	On-Demand	Reactive	SCN2A	23	56
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852473645	GF	On-Demand	Reactive	EPHX2	28	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852473645	GF	On-Demand	Reactive	SCN10A	41	56
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852473645	GF	On-Demand	Reactive	NAMPT	51	46
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852473650	GG	On-Demand	Anodyne	KCNQ2	46	35
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852473650	GG	On-Demand	Anodyne	TRPV1	16	44
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852473650	GG	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852473650	GG	On-Demand	Anodyne	C3AR1	37	42
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852473650	GG	On-Demand	Anodyne	EPHX2	25	43
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852473650	GG	On-Demand	Anodyne	SCN10A	18	42
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852473651	GG	On-Demand	Anodyne	KCNQ2	46	35
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852473651	GG	On-Demand	Anodyne	TRPV1	16	44
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852473651	GG	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852473651	GG	On-Demand	Anodyne	C3AR1	37	42
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852473651	GG	On-Demand	Anodyne	EPHX2	25	43
O=C(NCc1cccnc1N1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852473651	GG	On-Demand	Anodyne	SCN10A	18	42
O=C(NCc1cccnc1N1CCCC1)NNc1ncncc1Cl	ZINC000852473653	ED	On-Demand	Reactive	SCN2A	21	50
O=C(NCc1cccnc1N1CCCC1)NNc1ncncc1Cl	ZINC000852473653	ED	On-Demand	Reactive	SCN10A	35	50
O=C(N1CCC[C@H]([C@@H]2CCCCN2C/C=C\c2ccccc2)C1)C(F)(F)F	ZINC000852473676	GI	On-Demand	Anodyne	PREP	22	40
O=C(N1CCC[C@H]([C@H]2CCCCN2C/C=C/c2ccccc2)C1)C(F)(F)F	ZINC000852473677	GI	On-Demand	Anodyne	PREP	22	40
O=C(N1CCC[C@H]([C@@H]2CCCCN2C/C=C/c2ccccc2)C1)C(F)(F)F	ZINC000852473678	GI	On-Demand	Anodyne	PREP	22	40
O=C(N1CCC[C@H]([C@H]2CCCCN2C/C=C\c2ccccc2)C1)C(F)(F)F	ZINC000852473679	GI	On-Demand	Anodyne	PREP	22	40
O=C(N1CCC[C@H]([C@@H]2CCCCN2Cc2noc(C3CC3)n2)C1)C(F)(F)F	ZINC000852473690	GG	On-Demand	Anodyne	ETHR	44	38
O=C(N1CCC[C@@H]([C@@H]2CCCCN2Cc2noc(C3CC3)n2)C1)C(F)(F)F	ZINC000852473691	GG	On-Demand	Anodyne	ETHR	44	38
O=C(N1CCC[C@H]([C@H]2CCCCN2Cc2noc(C3CC3)n2)C1)C(F)(F)F	ZINC000852473692	GG	On-Demand	Anodyne	ETHR	44	38
O=C(N1CCC[C@@H]([C@H]2CCCCN2Cc2noc(C3CC3)n2)C1)C(F)(F)F	ZINC000852473693	GG	On-Demand	Anodyne	ETHR	44	38
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	ZINC000852473758	GD	On-Demand	Reactive	SCN2A	20	46
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccc2c(c1)OCCO2	ZINC000852473758	GD	On-Demand	Reactive	SCN10A	24	46
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccc(Cl)cc1F	ZINC000852473760	GF	On-Demand	Reactive	TRPV1	15	45
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccc(Cl)cc1F	ZINC000852473760	GF	On-Demand	Reactive	P2RX7	44	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccc(Cl)cc1F	ZINC000852473760	GF	On-Demand	Reactive	SCN2A	22	54
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccc(Cl)cc1F	ZINC000852473760	GF	On-Demand	Reactive	EPHX2	15	41
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccc(Cl)cc1F	ZINC000852473760	GF	On-Demand	Reactive	SCN10A	42	54
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(Cl)c2)C[C@@H](C)C1=O	ZINC000852473762	ED	On-Demand	Reactive	DRD4	41	32
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(Cl)c2)C[C@@H](C)C1=O	ZINC000852473762	ED	On-Demand	Reactive	CACNA1I	54	44
O=C1NCC2(CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)O1	ZINC000852473763	FD	On-Demand	Anodyne	SCN2A	17	42
O=C1NCC2(CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)O1	ZINC000852473763	FD	On-Demand	Anodyne	SCN10A	19	42
Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](C)C(=O)[C@H](C)C2)c1	ZINC000852473765	DC	On-Demand	Reactive	KCNK3	57	42
Cc1cccc(C(=O)NNC(=O)CN2C[C@@H](C)C(=O)[C@H](C)C2)c1	ZINC000852473765	DC	On-Demand	Reactive	KCNK9	46	42
N#Cc1cccnc1NCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473773	FD	On-Demand	Mild	SCN2A	18	44
N#Cc1cccnc1NCCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473773	FD	On-Demand	Mild	SCN10A	19	44
O=C(Cc1ccncc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473774	FD	On-Demand	Reactive	SCN2A	20	48
O=C(Cc1ccncc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473774	FD	On-Demand	Reactive	SCN10A	24	48
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccc2ccccc2c1	ZINC000852473778	GG	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccc2ccccc2c1	ZINC000852473778	GG	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccc2ccccc2c1	ZINC000852473779	GG	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccc2ccccc2c1	ZINC000852473779	GG	On-Demand	Anodyne	SCN10A	19	43
O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473782	GD	On-Demand	Reactive	SCN2A	17	41
O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473782	GD	On-Demand	Reactive	SCN10A	18	41
Cc1cc([C@@H]2CCCN2C(=O)NCc2cccnc2N2CCCC2)no1	ZINC000852473784	FG	On-Demand	Anodyne	SCN2A	18	43
Cc1cc([C@@H]2CCCN2C(=O)NCc2cccnc2N2CCCC2)no1	ZINC000852473784	FG	On-Demand	Anodyne	CPT1A	67	39
Cc1cc([C@@H]2CCCN2C(=O)NCc2cccnc2N2CCCC2)no1	ZINC000852473784	FG	On-Demand	Anodyne	SCN10A	19	43
CCOC(=O)N[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473787	GE	On-Demand	Anodyne	P2RY12	15	42
CCOC(=O)N[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473787	GE	On-Demand	Anodyne	SCN10A	18	40
O=C(CNC(=O)NCc1cccnc1N1CCCC1)NCc1ccccc1	ZINC000852473796	FD	On-Demand	Anodyne	KCNQ2	36	40
O=C(CNC(=O)NCc1cccnc1N1CCCC1)NCc1ccccc1	ZINC000852473796	FD	On-Demand	Anodyne	FABP4	40	37
O=C(CNC(=O)NCc1cccnc1N1CCCC1)NCc1ccccc1	ZINC000852473796	FD	On-Demand	Anodyne	SCN2A	19	45
O=C(CNC(=O)NCc1cccnc1N1CCCC1)NCc1ccccc1	ZINC000852473796	FD	On-Demand	Anodyne	SCN10A	20	45
O=C(CNC(=O)NCc1cccnc1N1CCCC1)NCc1ccccc1	ZINC000852473796	FD	On-Demand	Anodyne	NAMPT	43	42
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852473797	FF	On-Demand	Clean	SCN2A	17	41
COc1ccc(O)c([C@H](C)NC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852473797	FF	On-Demand	Clean	SCN10A	20	41
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852473811	FF	On-Demand	Clean	SCN2A	17	41
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852473811	FF	On-Demand	Clean	SCN10A	20	41
Cn1ccnc1[C@H](O)C1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852473813	GE	On-Demand	Anodyne	EPHX2	16	40
Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852473816	GE	On-Demand	Anodyne	EPHX2	16	40
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(Cl)nn1	ZINC000852473821	ED	On-Demand	Reactive	SCN2A	19	47
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(Cl)nn1	ZINC000852473821	ED	On-Demand	Reactive	SCN10A	20	47
Cn1ccnc1[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473823	FF	On-Demand	Anodyne	SCN2A	17	41
Cn1ccnc1[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473823	FF	On-Demand	Anodyne	SCN10A	18	41
Cn1ccnc1[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473825	FF	On-Demand	Anodyne	SCN2A	17	41
Cn1ccnc1[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473825	FF	On-Demand	Anodyne	SCN10A	18	41
O=C(CCc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473830	FE	On-Demand	Reactive	SCN2A	19	45
O=C(CCc1ccccc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473830	FE	On-Demand	Reactive	SCN10A	20	45
CN(C)C(=O)OC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852473832	GE	On-Demand	Anodyne	SCN2A	17	41
CN(C)C(=O)OC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852473832	GE	On-Demand	Anodyne	EPHX2	29	49
CN(C)C(=O)OC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852473832	GE	On-Demand	Anodyne	SCN10A	18	41
CN(C)C(=O)OC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852473832	GE	On-Demand	Anodyne	SCD	18	40
C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1=O	ZINC000852473843	CD	On-Demand	Bother	KCNJ1	17	41
C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1=O	ZINC000852473845	CD	On-Demand	Bother	KCNJ1	17	41
C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473853	FH	On-Demand	Anodyne	SCN2A	18	42
C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473853	FH	On-Demand	Anodyne	SCN10A	19	42
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473861	FH	On-Demand	Anodyne	SCN2A	18	42
C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852473861	FH	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N1CCc2c(F)cccc2C1	ZINC000852473868	FG	On-Demand	Anodyne	SCN2A	19	45
O=C(NCc1cccnc1N1CCCC1)N1CCc2c(F)cccc2C1	ZINC000852473868	FG	On-Demand	Anodyne	SCN10A	19	45
O=C(NCc1cccnc1N1CCCC1)N1CCc2c(F)cccc2C1	ZINC000852473868	FG	On-Demand	Anodyne	NAMPT	19	41
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473881	GE	On-Demand	Reactive	MC4R	19	47
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473881	GE	On-Demand	Reactive	KCNQ2	26	46
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473881	GE	On-Demand	Reactive	P2RX7	32	44
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473881	GE	On-Demand	Reactive	SCN2A	23	56
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473881	GE	On-Demand	Reactive	AKT2	32	41
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473881	GE	On-Demand	Reactive	AKT3	27	40
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473881	GE	On-Demand	Reactive	SCN10A	41	56
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473881	GE	On-Demand	Reactive	AKT1	25	40
COc1ccc([C@@H](O)CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852473886	FE	On-Demand	Anodyne	KCNQ2	24	41
COc1ccc([C@@H](O)CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852473886	FE	On-Demand	Anodyne	SCN2A	17	41
COc1ccc([C@@H](O)CNC(=O)NCc2cccnc2N2CCCC2)cc1	ZINC000852473886	FE	On-Demand	Anodyne	SCN10A	21	43
O=C1N[C@H]2CCN(C(=O)NCc3cccnc3N3CCCC3)C[C@@H]2CO1	ZINC000852473890	FD	On-Demand	Anodyne	SCN2A	17	41
O=C1N[C@H]2CCN(C(=O)NCc3cccnc3N3CCCC3)C[C@@H]2CO1	ZINC000852473890	FD	On-Demand	Anodyne	SCN10A	18	41
COc1ccccc1[C@@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473899	FE	On-Demand	Anodyne	SCN2A	17	41
COc1ccccc1[C@@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473899	FE	On-Demand	Anodyne	SCN10A	29	41
COc1ccccc1[C@@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852473899	FE	On-Demand	Anodyne	HCN1	43	32
O=C(NCc1cccnc1N1CCCC1)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852473902	GH	On-Demand	Anodyne	TRPV1	23	42
O=C(NCc1cccnc1N1CCCC1)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852473902	GH	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852473902	GH	On-Demand	Anodyne	EPHX2	21	46
O=C(NCc1cccnc1N1CCCC1)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852473902	GH	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852473905	GH	On-Demand	Anodyne	TRPV1	23	42
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852473905	GH	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852473905	GH	On-Demand	Anodyne	EPHX2	21	46
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852473905	GH	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccoc1	ZINC000852473907	ED	On-Demand	Reactive	SCN2A	20	48
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1ccoc1	ZINC000852473907	ED	On-Demand	Reactive	SCN10A	24	48
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1c(F)cccc1F	ZINC000852473912	GE	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1c(F)cccc1F	ZINC000852473912	GE	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1c(F)cccc1F	ZINC000852473914	GE	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1c(F)cccc1F	ZINC000852473914	GE	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000852473916	GE	On-Demand	Anodyne	SCN10A	15	41
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000852473918	GE	On-Demand	Anodyne	SCN10A	15	41
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000852473956	GF	On-Demand	Reactive	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000852473956	GF	On-Demand	Reactive	SCN10A	19	43
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccnc1N1CCCC1	ZINC000852473959	FG	On-Demand	Clean	SCN2A	18	43
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccnc1N1CCCC1	ZINC000852473959	FG	On-Demand	Clean	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)N[C@@H](CO)C1CC1	ZINC000852473974	DD	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N[C@@H](CO)C1CC1	ZINC000852473974	DD	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)N[C@H](CO)C1CC1	ZINC000852473976	DD	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N[C@H](CO)C1CC1	ZINC000852473976	DD	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)N1CCO[C@@H](C(F)F)C1	ZINC000852473984	ED	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCO[C@@H](C(F)F)C1	ZINC000852473984	ED	On-Demand	Anodyne	SCN10A	20	42
O=C(NCc1cccnc1N1CCCC1)N1CCO[C@H](C(F)F)C1	ZINC000852473986	ED	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCO[C@H](C(F)F)C1	ZINC000852473986	ED	On-Demand	Anodyne	SCN10A	20	42
C[C@H]1C[C@H](NC(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c2ncnn21	ZINC000852473998	GF	On-Demand	Anodyne	GPR119	49	41
Cn1cc([C@@H](O)CNC(=O)NCc2cccnc2N2CCCC2)cn1	ZINC000852474005	EC	On-Demand	Anodyne	SCN2A	18	43
Cn1cc([C@@H](O)CNC(=O)NCc2cccnc2N2CCCC2)cn1	ZINC000852474005	EC	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)N1CCC(OC[C@@H]2CCCO2)CC1	ZINC000852474018	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CCC(OC[C@@H]2CCCO2)CC1	ZINC000852474018	GF	On-Demand	Anodyne	EPHX2	19	44
O=C(NCc1cccnc1N1CCCC1)N1CCC(OC[C@@H]2CCCO2)CC1	ZINC000852474018	GF	On-Demand	Anodyne	SCN10A	19	41
O=C(NCc1cccnc1N1CCCC1)N1CCC(OC[C@H]2CCCO2)CC1	ZINC000852474020	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CCC(OC[C@H]2CCCO2)CC1	ZINC000852474020	GF	On-Demand	Anodyne	EPHX2	19	44
O=C(NCc1cccnc1N1CCCC1)N1CCC(OC[C@H]2CCCO2)CC1	ZINC000852474020	GF	On-Demand	Anodyne	SCN10A	19	41
C[C@@H]1CN(Cc2cc(=O)oc3cc(O)ccc23)C[C@@H](C)C1=O	ZINC000852474022	DE	On-Demand	Anodyne	HSD17B3	43	59
C[C@@H]1CN(Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H](C)C1=O	ZINC000852474030	EH	On-Demand	Anodyne	HRH2	27	40
C[C@@H]1CN(Cc2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H](C)C1=O	ZINC000852474030	EH	On-Demand	Anodyne	NPY1R	26	40
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474033	FH	On-Demand	Anodyne	SLC6A1	57	33
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474033	FH	On-Demand	Anodyne	HRH3	30	46
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474033	FH	On-Demand	Anodyne	PREP	62	43
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474034	FH	On-Demand	Anodyne	SLC6A1	57	33
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474034	FH	On-Demand	Anodyne	HRH3	30	46
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474034	FH	On-Demand	Anodyne	PREP	62	43
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474035	FH	On-Demand	Anodyne	SLC6A1	57	33
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474035	FH	On-Demand	Anodyne	HRH3	30	46
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474035	FH	On-Demand	Anodyne	PREP	62	43
O=C(N1CCC[C@H]([C@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474036	FH	On-Demand	Anodyne	SLC6A1	57	33
O=C(N1CCC[C@H]([C@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474036	FH	On-Demand	Anodyne	HRH3	30	46
O=C(N1CCC[C@H]([C@H]2CCCCN2CCc2ccccc2)C1)C(F)(F)F	ZINC000852474036	FH	On-Demand	Anodyne	PREP	62	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1c[nH]c2ccccc12	ZINC000852474049	GE	On-Demand	Reactive	SCN2A	19	44
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1c[nH]c2ccccc12	ZINC000852474049	GE	On-Demand	Reactive	BRS3	25	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1c[nH]c2ccccc12	ZINC000852474049	GE	On-Demand	Reactive	NMBR	54	34
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1c[nH]c2ccccc12	ZINC000852474049	GE	On-Demand	Reactive	SCN10A	20	46
CCOC(=O)N(C)C1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474051	GE	On-Demand	Anodyne	P2RY12	17	46
CCOC(=O)N(C)C1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474051	GE	On-Demand	Anodyne	EPHX2	18	41
CCOC(=O)N(C)C1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474051	GE	On-Demand	Anodyne	SCN10A	18	40
O=C(NCc1ccn(-c2ccccc2)n1)NCc1cccnc1N1CCCC1	ZINC000852474053	GF	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1ccn(-c2ccccc2)n1)NCc1cccnc1N1CCCC1	ZINC000852474053	GF	On-Demand	Anodyne	SCN10A	19	43
C[C@@H]1CN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)C1=O	ZINC000852474055	EG	On-Demand	Anodyne	GPR119	53	45
O=C(NCC[C@@H](O)c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474061	FF	On-Demand	Anodyne	KCNQ2	46	35
O=C(NCC[C@@H](O)c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474061	FF	On-Demand	Anodyne	SCN2A	18	43
O=C(NCC[C@@H](O)c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474061	FF	On-Demand	Anodyne	SCN10A	19	43
O=C(NCC[C@H](O)c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474063	FF	On-Demand	Anodyne	KCNQ2	46	35
O=C(NCC[C@H](O)c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474063	FF	On-Demand	Anodyne	SCN2A	18	43
O=C(NCC[C@H](O)c1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474063	FF	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cc2c(s1)CCC2	ZINC000852474067	GE	On-Demand	Reactive	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cc2c(s1)CCC2	ZINC000852474067	GE	On-Demand	Reactive	SCN10A	19	44
O=C(NCc1ccccc1O)NCc1cccnc1N1CCCC1	ZINC000852474070	EE	On-Demand	Clean	KCNQ2	52	38
O=C(NCc1ccccc1O)NCc1cccnc1N1CCCC1	ZINC000852474070	EE	On-Demand	Clean	TRPV1	18	42
O=C(NCc1ccccc1O)NCc1cccnc1N1CCCC1	ZINC000852474070	EE	On-Demand	Clean	SCN2A	21	51
O=C(NCc1ccccc1O)NCc1cccnc1N1CCCC1	ZINC000852474070	EE	On-Demand	Clean	SCN10A	25	51
O=C(NCc1ccccc1O)NCc1cccnc1N1CCCC1	ZINC000852474070	EE	On-Demand	Clean	NAMPT	32	41
C[C@@H]1CN(CC(=O)NOCc2ccccc2)C[C@@H](C)C1=O	ZINC000852474098	CD	On-Demand	Anodyne	NAAA	48	39
C[C@@H]1CN(CC(=O)NOCc2ccccc2)C[C@@H](C)C1=O	ZINC000852474098	CD	On-Demand	Anodyne	SLC12A5	40	36
CC(C)(C)CC(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474100	ED	On-Demand	Reactive	SCN2A	18	45
CC(C)(C)CC(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474100	ED	On-Demand	Reactive	SCN10A	22	45
CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852474104	CD	On-Demand	Anodyne	KCNQ2	47	34
CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852474104	CD	On-Demand	Anodyne	TRPV1	19	43
CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852474104	CD	On-Demand	Anodyne	SCN2A	20	49
CONC(=O)NCc1cccnc1N1CCCC1	ZINC000852474104	CD	On-Demand	Anodyne	SCN10A	25	49
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc2c(c1)OCO2	ZINC000852474107	GD	On-Demand	Reactive	TRPV1	25	41
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc2c(c1)OCO2	ZINC000852474107	GD	On-Demand	Reactive	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc2c(c1)OCO2	ZINC000852474107	GD	On-Demand	Reactive	NOS2	91	35
O=C(NCc1cccnc1N1CCCC1)NNC(=O)Nc1ccc2c(c1)OCO2	ZINC000852474107	GD	On-Demand	Reactive	SCN10A	19	43
N#C[C@H]1CN(C(=O)NCc2cccnc2N2CCCC2)CCN1C1CC1	ZINC000852474115	FD	On-Demand	Mild	SCN2A	17	41
N#C[C@H]1CN(C(=O)NCc2cccnc2N2CCCC2)CCN1C1CC1	ZINC000852474115	FD	On-Demand	Mild	SCN10A	18	41
N#C[C@@H]1CN(C(=O)NCc2cccnc2N2CCCC2)CCN1C1CC1	ZINC000852474116	FD	On-Demand	Mild	SCN2A	17	41
N#C[C@@H]1CN(C(=O)NCc2cccnc2N2CCCC2)CCN1C1CC1	ZINC000852474116	FD	On-Demand	Mild	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000852474123	GG	On-Demand	Anodyne	TRPV1	48	46
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000852474123	GG	On-Demand	Anodyne	P2RX7	29	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000852474123	GG	On-Demand	Anodyne	SCN2A	20	47
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000852474123	GG	On-Demand	Anodyne	SCN10A	30	47
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000852474124	GG	On-Demand	Anodyne	TRPV1	48	46
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000852474124	GG	On-Demand	Anodyne	P2RX7	29	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000852474124	GG	On-Demand	Anodyne	SCN2A	20	47
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000852474124	GG	On-Demand	Anodyne	SCN10A	30	47
CC(=O)Oc1ccc(CN2C[C@@H](C)C(=O)[C@H](C)C2)cc1	ZINC000852474125	CE	On-Demand	Anodyne	MLNR	42	37
O=C(NCc1cccnc1N1CCCC1)N1Cc2cccc(Cl)c2C1	ZINC000852474127	FH	On-Demand	Anodyne	P2RX7	17	45
O=C(NCc1cccnc1N1CCCC1)N1Cc2cccc(Cl)c2C1	ZINC000852474127	FH	On-Demand	Anodyne	SCN2A	20	49
O=C(NCc1cccnc1N1CCCC1)N1Cc2cccc(Cl)c2C1	ZINC000852474127	FH	On-Demand	Anodyne	SCN10A	29	49
O=C(NCc1cccnc1N1CCCC1)N1Cc2cccc(Cl)c2C1	ZINC000852474127	FH	On-Demand	Anodyne	NAMPT	31	45
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCC3)cc2)C[C@@H](C)C1=O	ZINC000852474128	EE	On-Demand	Anodyne	KCNQ2	16	44
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCC3)cc2)C[C@@H](C)C1=O	ZINC000852474128	EE	On-Demand	Anodyne	PRNP	41	40
O=C(NCc1cccnc1N1CCCC1)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000852474135	GE	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000852474135	GE	On-Demand	Anodyne	SCN10A	19	41
O=C(NCc1cccnc1N1CCCC1)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000852474136	GE	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000852474136	GE	On-Demand	Anodyne	SCN10A	19	41
C#CCNC(=O)C1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474138	FD	On-Demand	Mild	SCN2A	19	46
C#CCNC(=O)C1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474138	FD	On-Demand	Mild	EPHX2	30	43
C#CCNC(=O)C1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474138	FD	On-Demand	Mild	SCN10A	22	46
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852474144	GI	On-Demand	Anodyne	F2	21	42
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852474144	GI	On-Demand	Anodyne	SCN2A	20	49
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852474144	GI	On-Demand	Anodyne	SCN10A	28	49
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852474145	GI	On-Demand	Anodyne	F2	21	42
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852474145	GI	On-Demand	Anodyne	SCN2A	20	49
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852474145	GI	On-Demand	Anodyne	SCN10A	28	49
C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C[C@@H](C)C1=O	ZINC000852474149	GG	On-Demand	Anodyne	NR2E3	59	31
C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C[C@@H](C)C1=O	ZINC000852474149	GG	On-Demand	Anodyne	KCNK9	42	33
O=C(NCc1cccnc1N1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000852474150	GF	On-Demand	Bother	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000852474150	GF	On-Demand	Bother	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000852474150	GF	On-Demand	Bother	NAMPT	18	41
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852474155	GF	On-Demand	Anodyne	SCN2A	19	45
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852474155	GF	On-Demand	Anodyne	CHRNA7	40	35
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852474155	GF	On-Demand	Anodyne	C3AR1	42	39
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852474155	GF	On-Demand	Anodyne	EPHX2	17	42
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852474155	GF	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852474155	GF	On-Demand	Anodyne	NAMPT	42	40
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@](O)(c2cnn[nH]2)C1	ZINC000852474260	FC	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@](O)(c2cnn[nH]2)C1	ZINC000852474260	FC	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@](O)(c2cnn[nH]2)C1	ZINC000852474261	FC	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@](O)(c2cnn[nH]2)C1	ZINC000852474261	FC	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1	ZINC000852474265	EE	On-Demand	Anodyne	ADRB3	32	40
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1	ZINC000852474265	EE	On-Demand	Anodyne	KCNQ2	63	37
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1	ZINC000852474265	EE	On-Demand	Anodyne	KCNA5	18	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1	ZINC000852474265	EE	On-Demand	Anodyne	TRPV1	16	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1	ZINC000852474265	EE	On-Demand	Anodyne	SCN2A	19	45
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1	ZINC000852474265	EE	On-Demand	Anodyne	SCN10A	22	45
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1	ZINC000852474265	EE	On-Demand	Anodyne	SCD1	18	40
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1	ZINC000852474265	EE	On-Demand	Anodyne	SCD	30	40
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1	ZINC000852474266	EE	On-Demand	Anodyne	ADRB3	32	40
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1	ZINC000852474266	EE	On-Demand	Anodyne	KCNQ2	63	37
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1	ZINC000852474266	EE	On-Demand	Anodyne	KCNA5	18	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1	ZINC000852474266	EE	On-Demand	Anodyne	TRPV1	16	42
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1	ZINC000852474266	EE	On-Demand	Anodyne	SCN2A	19	45
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1	ZINC000852474266	EE	On-Demand	Anodyne	SCN10A	22	45
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1	ZINC000852474266	EE	On-Demand	Anodyne	SCD1	18	40
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1	ZINC000852474266	EE	On-Demand	Anodyne	SCD	30	40
O=C(NCc1cccnc1N1CCCC1)NNc1ncccc1F	ZINC000852474268	EE	On-Demand	Reactive	SCN2A	19	47
O=C(NCc1cccnc1N1CCCC1)NNc1ncccc1F	ZINC000852474268	EE	On-Demand	Reactive	SCN10A	21	47
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(F)cn1	ZINC000852474273	EE	On-Demand	Reactive	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(F)cn1	ZINC000852474273	EE	On-Demand	Reactive	SCN10A	20	46
C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H](C)C1=O	ZINC000852474274	GF	On-Demand	Clean	NPY5R	15	51
C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H](C)C1=O	ZINC000852474274	GF	On-Demand	Clean	SLC1A1	42	37
C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H](C)C1=O	ZINC000852474274	GF	On-Demand	Clean	SLC1A2	53	37
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCC1	ZINC000852474275	DD	On-Demand	Reactive	P2RX7	25	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCC1	ZINC000852474275	DD	On-Demand	Reactive	SCN2A	19	47
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCC1	ZINC000852474275	DD	On-Demand	Reactive	SCN10A	20	47
O=C(NCc1cccnc1N1CCCC1)NNC(=O)C1CCC1	ZINC000852474275	DD	On-Demand	Reactive	GPBAR1	16	44
C#Cc1cccc(NC(=O)CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852474280	GE	On-Demand	Mild	SCN2A	18	44
C#Cc1cccc(NC(=O)CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852474280	GE	On-Demand	Mild	SCN10A	18	44
O=C(NCc1cccnc1N1CCCC1)N1CCC=C(Br)C1	ZINC000852474281	FF	On-Demand	Anodyne	SCN2A	19	45
O=C(NCc1cccnc1N1CCCC1)N1CCC=C(Br)C1	ZINC000852474281	FF	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)NCc1cc(Cl)cc(Cl)c1O	ZINC000852474284	GH	On-Demand	Clean	P2RX7	39	44
O=C(NCc1cccnc1N1CCCC1)NCc1cc(Cl)cc(Cl)c1O	ZINC000852474284	GH	On-Demand	Clean	SCN2A	22	53
O=C(NCc1cccnc1N1CCCC1)NCc1cc(Cl)cc(Cl)c1O	ZINC000852474284	GH	On-Demand	Clean	EPHX2	15	44
O=C(NCc1cccnc1N1CCCC1)NCc1cc(Cl)cc(Cl)c1O	ZINC000852474284	GH	On-Demand	Clean	SCN10A	33	53
O=C1NC2(CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)CO1	ZINC000852474285	FD	On-Demand	Anodyne	SCN10A	15	41
COc1ccc(CN(C)C(=O)NCc2cccnc2N2CCCC2)cc1F	ZINC000852474286	FG	On-Demand	Anodyne	SCN2A	18	43
COc1ccc(CN(C)C(=O)NCc2cccnc2N2CCCC2)cc1F	ZINC000852474286	FG	On-Demand	Anodyne	SCN10A	21	43
COc1ccc(CN(C)C(=O)NCc2cccnc2N2CCCC2)cc1F	ZINC000852474286	FG	On-Demand	Anodyne	HCRTR2	16	40
N#CC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474289	DE	On-Demand	Mild	SCN2A	18	44
N#CC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474289	DE	On-Demand	Mild	EPHX2	20	43
N#CC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474289	DE	On-Demand	Mild	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccsc1	ZINC000852474290	EE	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccsc1	ZINC000852474290	EE	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccsc1	ZINC000852474291	EE	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccsc1	ZINC000852474291	EE	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)N1CC=C(c2ccc(Cl)nc2)CC1	ZINC000852474292	GH	On-Demand	Anodyne	SCN2A	20	49
O=C(NCc1cccnc1N1CCCC1)N1CC=C(c2ccc(Cl)nc2)CC1	ZINC000852474292	GH	On-Demand	Anodyne	SCN10A	32	51
O=C(NCc1cccnc1N1CCCC1)NC[C@]1(O)CCCc2ccccc21	ZINC000852474303	GF	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@]1(O)CCCc2ccccc21	ZINC000852474303	GF	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@]1(O)CCCc2ccccc21	ZINC000852474304	GF	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@]1(O)CCCc2ccccc21	ZINC000852474304	GF	On-Demand	Anodyne	SCN10A	19	43
C[C@@H]1CN(CCCCCCN2C[C@@H](C)C(=O)[C@H](C)C2)C[C@@H](C)C1=O	ZINC000852474306	EF	On-Demand	Anodyne	SIGMAR1	15	44
CC[C@@H](C(=O)NNC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852474309	GF	On-Demand	Reactive	KCNQ2	71	49
CC[C@@H](C(=O)NNC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852474309	GF	On-Demand	Reactive	SCN2A	18	42
CC[C@@H](C(=O)NNC(=O)NCc1cccnc1N1CCCC1)c1ccccc1	ZINC000852474309	GF	On-Demand	Reactive	SCN10A	19	42
Cc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3N3CCCC3)C2=O)cc1	ZINC000852474311	GF	On-Demand	Anodyne	SCN2A	17	41
Cc1ccc(N2CC[C@H](NC(=O)NCc3cccnc3N3CCCC3)C2=O)cc1	ZINC000852474311	GF	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)N1CCC(F)(F)CC1	ZINC000852474313	DF	On-Demand	Anodyne	TRPV1	20	44
O=C(NCc1cccnc1N1CCCC1)N1CCC(F)(F)CC1	ZINC000852474313	DF	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)N1CCC(F)(F)CC1	ZINC000852474313	DF	On-Demand	Anodyne	EPHX2	17	43
O=C(NCc1cccnc1N1CCCC1)N1CCC(F)(F)CC1	ZINC000852474313	DF	On-Demand	Anodyne	SCN10A	20	46
O=C(NCc1cccnc1N1CCCC1)NNc1ncnc2ccsc12	ZINC000852474314	FF	On-Demand	Reactive	SCN10A	15	40
C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)C[C@@H](C)C1=O	ZINC000852474315	ED	On-Demand	Reactive	ECR	44	38
O=C(NCc1cccnc1N1CCCC1)NNc1ccncn1	ZINC000852474316	DD	On-Demand	Reactive	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NNc1ccncn1	ZINC000852474316	DD	On-Demand	Reactive	SCN10A	20	46
C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O	ZINC000852474319	FE	On-Demand	Anodyne	MTOR	78	39
C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O	ZINC000852474319	FE	On-Demand	Anodyne	EPHX2	21	44
C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1=O	ZINC000852474319	FE	On-Demand	Anodyne	STAT6	51	32
C[C@@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)C[C@@H](C)C1=O	ZINC000852474320	DF	On-Demand	Anodyne	CYP73A16	15	45
COc1ccc2c(CN3C[C@@H](C)C(=O)[C@H](C)C3)cc(=O)oc2c1	ZINC000852474324	DE	On-Demand	Anodyne	CYP19A1	16	56
COc1ccc2c(CN3C[C@@H](C)C(=O)[C@H](C)C3)cc(=O)oc2c1	ZINC000852474324	DE	On-Demand	Anodyne	CYP11B1	19	47
COc1ccc2c(CN3C[C@@H](C)C(=O)[C@H](C)C3)cc(=O)oc2c1	ZINC000852474324	DE	On-Demand	Anodyne	MAOB	37	42
COc1cccc([C@H](O)CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852474325	FE	On-Demand	Anodyne	DRD4	42	32
COc1cccc([C@H](O)CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852474325	FE	On-Demand	Anodyne	KCNQ2	37	44
COc1cccc([C@H](O)CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852474325	FE	On-Demand	Anodyne	SCN2A	17	41
COc1cccc([C@H](O)CNC(=O)NCc2cccnc2N2CCCC2)c1	ZINC000852474325	FE	On-Demand	Anodyne	SCN10A	18	41
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474327	GD	On-Demand	Reactive	SCN2A	18	43
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474327	GD	On-Demand	Reactive	SCN10A	28	43
Cc1ccc(N2CCCN(C(=O)NCc3cccnc3N3CCCC3)CC2)cc1	ZINC000852474328	GG	On-Demand	Anodyne	TRPV1	17	46
Cc1ccc(N2CCCN(C(=O)NCc3cccnc3N3CCCC3)CC2)cc1	ZINC000852474328	GG	On-Demand	Anodyne	SCN2A	18	45
Cc1ccc(N2CCCN(C(=O)NCc3cccnc3N3CCCC3)CC2)cc1	ZINC000852474328	GG	On-Demand	Anodyne	SCN10A	20	45
C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H](C)C1=O	ZINC000852474329	EE	On-Demand	Bother	WDR5	35	40
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C[C@@H](C)C1=O	ZINC000852474330	FG	On-Demand	Anodyne	PRNP	40	39
O=C(Cc1ccsc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474332	FD	On-Demand	Reactive	SCN2A	18	44
O=C(Cc1ccsc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474332	FD	On-Demand	Reactive	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852474337	FF	On-Demand	Anodyne	ADRB1	33	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852474337	FF	On-Demand	Anodyne	ADRB3	52	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852474337	FF	On-Demand	Anodyne	KCNQ2	43	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852474337	FF	On-Demand	Anodyne	P2RX7	15	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852474337	FF	On-Demand	Anodyne	SCN2A	20	49
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852474337	FF	On-Demand	Anodyne	AKT2	18	40
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852474337	FF	On-Demand	Anodyne	SCN10A	29	49
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(Cl)c1	ZINC000852474337	FF	On-Demand	Anodyne	CYP3A4	40	33
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852474338	FF	On-Demand	Anodyne	ADRB1	33	42
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852474338	FF	On-Demand	Anodyne	ADRB3	52	42
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852474338	FF	On-Demand	Anodyne	KCNQ2	43	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852474338	FF	On-Demand	Anodyne	P2RX7	15	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852474338	FF	On-Demand	Anodyne	SCN2A	20	49
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852474338	FF	On-Demand	Anodyne	AKT2	18	40
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852474338	FF	On-Demand	Anodyne	SCN10A	29	49
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852474338	FF	On-Demand	Anodyne	CYP3A4	40	33
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1c(F)cccc1Cl	ZINC000852474340	GG	On-Demand	Anodyne	TRPV1	18	40
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1c(F)cccc1Cl	ZINC000852474340	GG	On-Demand	Anodyne	P2RX7	28	43
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1c(F)cccc1Cl	ZINC000852474340	GG	On-Demand	Anodyne	SCN2A	19	47
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1c(F)cccc1Cl	ZINC000852474340	GG	On-Demand	Anodyne	SCN10A	23	47
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1c(F)cccc1Cl	ZINC000852474341	GG	On-Demand	Anodyne	TRPV1	18	40
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1c(F)cccc1Cl	ZINC000852474341	GG	On-Demand	Anodyne	P2RX7	28	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1c(F)cccc1Cl	ZINC000852474341	GG	On-Demand	Anodyne	SCN2A	19	47
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1c(F)cccc1Cl	ZINC000852474341	GG	On-Demand	Anodyne	SCN10A	23	47
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1Cl	ZINC000852474343	FF	On-Demand	Anodyne	OPRL1	37	45
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1Cl	ZINC000852474343	FF	On-Demand	Anodyne	P2RX7	22	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1Cl	ZINC000852474343	FF	On-Demand	Anodyne	SCN2A	20	47
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccccc1Cl	ZINC000852474343	FF	On-Demand	Anodyne	SCN10A	29	47
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1Cl	ZINC000852474344	FF	On-Demand	Anodyne	OPRL1	37	45
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1Cl	ZINC000852474344	FF	On-Demand	Anodyne	P2RX7	22	42
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1Cl	ZINC000852474344	FF	On-Demand	Anodyne	SCN2A	20	47
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccccc1Cl	ZINC000852474344	FF	On-Demand	Anodyne	SCN10A	29	47
C[C@@H]1CN(CCN2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)C1=O	ZINC000852474347	ED	On-Demand	Anodyne	GPR119	45	38
C[C@@H]1CN(CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@@H](C)C1=O	ZINC000852474348	EF	On-Demand	Anodyne	PRNP	40	39
O=C(NCc1cccnc1N1CCCC1)N1CCN(c2ccnc(F)c2)CC1	ZINC000852474349	GE	On-Demand	Anodyne	TRPV1	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCN(c2ccnc(F)c2)CC1	ZINC000852474349	GE	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N1CCN(c2ccnc(F)c2)CC1	ZINC000852474349	GE	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)N1CCN2C(=O)OCC[C@H]2C1	ZINC000852474350	FD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCN2C(=O)OCC[C@H]2C1	ZINC000852474350	FD	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N1CCN2C(=O)OCC[C@@H]2C1	ZINC000852474351	FD	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCN2C(=O)OCC[C@@H]2C1	ZINC000852474351	FD	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)NNc1cc(Cl)ccn1	ZINC000852474352	EF	On-Demand	Reactive	P2RX7	22	40
O=C(NCc1cccnc1N1CCCC1)NNc1cc(Cl)ccn1	ZINC000852474352	EF	On-Demand	Reactive	SCN2A	21	52
O=C(NCc1cccnc1N1CCCC1)NNc1cc(Cl)ccn1	ZINC000852474352	EF	On-Demand	Reactive	SCN10A	32	52
C[C@@H]1CN(C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)C1=O	ZINC000852474432	FE	On-Demand	Anodyne	GPR119	42	41
C[C@@H]1CN(C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)C1=O	ZINC000852474433	FE	On-Demand	Anodyne	GPR119	42	41
O=C1O[C@H]2C[C@H]1N(C(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852474575	DC	On-Demand	Anodyne	SCN2A	17	42
O=C1O[C@H]2C[C@H]1N(C(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852474575	DC	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(F)c1	ZINC000852474576	FE	On-Demand	Anodyne	KCNQ2	43	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(F)c1	ZINC000852474576	FE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(F)c1	ZINC000852474576	FE	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc(F)c1	ZINC000852474576	FE	On-Demand	Anodyne	SCD	20	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(F)c1	ZINC000852474578	FE	On-Demand	Anodyne	KCNQ2	43	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(F)c1	ZINC000852474578	FE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(F)c1	ZINC000852474578	FE	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc(F)c1	ZINC000852474578	FE	On-Demand	Anodyne	SCD	20	41
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1cccnc1N1CCCC1	ZINC000852474582	GH	On-Demand	Anodyne	HTR1D	70	42
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1cccnc1N1CCCC1	ZINC000852474582	GH	On-Demand	Anodyne	HTR1B	52	42
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1cccnc1N1CCCC1	ZINC000852474582	GH	On-Demand	Anodyne	SCN2A	21	50
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1cccnc1N1CCCC1	ZINC000852474582	GH	On-Demand	Anodyne	BRS3	25	40
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1cccnc1N1CCCC1	ZINC000852474582	GH	On-Demand	Anodyne	SCN10A	32	50
O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1cccnc1N1CCCC1	ZINC000852474582	GH	On-Demand	Anodyne	MAPT	15	43
O=C(NCc1cccnc1N1CCCC1)NNc1ccccn1	ZINC000852474583	DD	On-Demand	Reactive	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NNc1ccccn1	ZINC000852474583	DD	On-Demand	Reactive	SCN10A	20	46
C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H](C)C1=O	ZINC000852474590	ED	On-Demand	Anodyne	DRD4	24	40
C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H](C)C1=O	ZINC000852474590	ED	On-Demand	Anodyne	CNR2	24	45
C#CCn1ccc(CN(CC)C(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852474593	FE	On-Demand	Mild	SCN2A	16	40
C#CCn1ccc(CN(CC)C(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852474593	FE	On-Demand	Mild	SCN10A	18	40
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CCCC2)CC1	ZINC000852474598	EH	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CCCC2)CC1	ZINC000852474598	EH	On-Demand	Anodyne	SCN10A	20	46
O=C1CC2(CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)CN1	ZINC000852474605	FD	On-Demand	Anodyne	SCN2A	18	44
O=C1CC2(CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)CN1	ZINC000852474605	FD	On-Demand	Anodyne	SCN10A	19	44
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1cccnc1N1CCCC1	ZINC000852474608	FF	On-Demand	Anodyne	SCN2A	16	40
Cc1ncc2c(n1)CCC[C@H]2NC(=O)NCc1cccnc1N1CCCC1	ZINC000852474608	FF	On-Demand	Anodyne	SCN10A	19	44
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474614	FD	On-Demand	Reactive	KCNQ2	26	46
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474614	FD	On-Demand	Reactive	TRPV1	15	40
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474614	FD	On-Demand	Reactive	SCN2A	18	45
O=C(Cc1ccc(F)cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474614	FD	On-Demand	Reactive	SCN10A	20	45
C[C@@H]1CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@@H](C)C1=O	ZINC000852474623	DF	On-Demand	Anodyne	LUCI_PHOPY	85	50
C[C@@H]1CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@@H](C)C1=O	ZINC000852474625	DF	On-Demand	Anodyne	LUCI_PHOPY	85	50
O=C(NCc1cccnc1N1CCCC1)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852474629	GG	On-Demand	Anodyne	SCD1	16	44
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852474631	GG	On-Demand	Anodyne	SCD1	16	44
O=C(N=c1cc[nH]cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474632	FD	On-Demand	Reactive	SCN2A	18	45
O=C(N=c1cc[nH]cc1)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474632	FD	On-Demand	Reactive	SCN10A	20	45
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O	ZINC000852474636	EC	On-Demand	Reactive	CACNA1C	47	34
C[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O	ZINC000852474636	EC	On-Demand	Reactive	CACNA1D	74	34
C[C@@H]1CN(CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=O	ZINC000852474650	FF	On-Demand	Anodyne	HTR1A	17	55
C[C@@H]1CN(CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=O	ZINC000852474650	FF	On-Demand	Anodyne	ALDH1A1	31	42
C[C@@H]1CN(CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=O	ZINC000852474650	FF	On-Demand	Anodyne	ALDH3A1	23	42
C[C@@H]1CN(CC(=O)Nc2cccnc2Cl)C[C@@H](C)C1=O	ZINC000852474655	CD	On-Demand	Anodyne	G2YM83_BOTF4	76	41
O=C(NCCC(=O)OC1CCCCC1)NCc1cccnc1N1CCCC1	ZINC000852474656	FF	On-Demand	Anodyne	SCN2A	18	44
O=C(NCCC(=O)OC1CCCCC1)NCc1cccnc1N1CCCC1	ZINC000852474656	FF	On-Demand	Anodyne	SCN10A	19	44
Cn1nccc1[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852474659	FF	On-Demand	Anodyne	SCN10A	15	41
Cn1nccc1[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852474661	FF	On-Demand	Anodyne	SCN10A	15	41
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1CCCCO1	ZINC000852474662	ED	On-Demand	Reactive	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1CCCCO1	ZINC000852474662	ED	On-Demand	Reactive	SCN10A	20	44
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1CCCCO1	ZINC000852474664	ED	On-Demand	Reactive	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1CCCCO1	ZINC000852474664	ED	On-Demand	Reactive	SCN10A	20	44
O=C(NCc1cccnc1N1CCCC1)N1CC[C@H](c2ccccn2)C1	ZINC000852474665	FF	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N1CC[C@H](c2ccccn2)C1	ZINC000852474665	FF	On-Demand	Anodyne	EPHX2	30	48
O=C(NCc1cccnc1N1CCCC1)N1CC[C@H](c2ccccn2)C1	ZINC000852474665	FF	On-Demand	Anodyne	SCN10A	20	46
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@H](c2ccccn2)C1	ZINC000852474667	FF	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@H](c2ccccn2)C1	ZINC000852474667	FF	On-Demand	Anodyne	EPHX2	30	48
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@H](c2ccccn2)C1	ZINC000852474667	FF	On-Demand	Anodyne	SCN10A	20	46
COC[C@@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474672	DC	On-Demand	Anodyne	SCN2A	18	43
COC[C@@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474672	DC	On-Demand	Anodyne	SCN10A	20	43
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852474677	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852474677	GF	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852474678	GF	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852474678	GF	On-Demand	Anodyne	SCN10A	19	43
O=C(NCC(=O)OCc1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474683	FE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCC(=O)OCc1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474683	FE	On-Demand	Anodyne	CAPN2	41	34
O=C(NCC(=O)OCc1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474683	FE	On-Demand	Anodyne	SCN10A	23	43
O=C(NCC(=O)OCc1ccccc1)NCc1cccnc1N1CCCC1	ZINC000852474683	FE	On-Demand	Anodyne	SLC12A5	71	36
O=C(Cc1ccccc1F)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474684	FD	On-Demand	Reactive	SCN2A	20	47
O=C(Cc1ccccc1F)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474684	FD	On-Demand	Reactive	SCN10A	21	47
CCOC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474688	GE	On-Demand	Anodyne	P2RY12	44	38
CCOC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474688	GE	On-Demand	Anodyne	GRIN2B	27	43
CCOC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474688	GE	On-Demand	Anodyne	SCN2A	17	41
CCOC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474688	GE	On-Demand	Anodyne	EPHX2	52	49
CCOC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474688	GE	On-Demand	Anodyne	SCN10A	21	41
CCOC(=O)N1CCC(NC(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852474688	GE	On-Demand	Anodyne	CCR8	24	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cccc(Cl)c1	ZINC000852474693	FE	On-Demand	Reactive	DRD3	16	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cccc(Cl)c1	ZINC000852474693	FE	On-Demand	Reactive	P2RX7	27	42
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cccc(Cl)c1	ZINC000852474693	FE	On-Demand	Reactive	SCN2A	23	55
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cccc(Cl)c1	ZINC000852474693	FE	On-Demand	Reactive	SCN10A	37	55
CN(C)C(=O)O[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852474697	GE	On-Demand	Anodyne	SCN10A	15	40
O=C(NCc1cccnc1N1CCCC1)NCc1c(O)ccc2c1CCCC2	ZINC000852474698	GG	On-Demand	Clean	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NCc1c(O)ccc2c1CCCC2	ZINC000852474698	GG	On-Demand	Clean	SCN10A	19	45
C[C@@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)C1=O	ZINC000852474700	DF	On-Demand	Anodyne	GPR119	47	44
Cc1ccccc1[C@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474704	FF	On-Demand	Anodyne	KCNQ2	46	33
Cc1ccccc1[C@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474704	FF	On-Demand	Anodyne	SCN2A	18	43
Cc1ccccc1[C@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474704	FF	On-Demand	Anodyne	SCN10A	27	43
Cc1ccccc1[C@@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474705	FF	On-Demand	Anodyne	KCNQ2	46	33
Cc1ccccc1[C@@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474705	FF	On-Demand	Anodyne	SCN2A	18	43
Cc1ccccc1[C@@H](O)CNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474705	FF	On-Demand	Anodyne	SCN10A	27	43
O=C(NCc1cccnc1N1CCCC1)NNc1cccc(Cl)n1	ZINC000852474707	EF	On-Demand	Reactive	P2RX7	15	43
O=C(NCc1cccnc1N1CCCC1)NNc1cccc(Cl)n1	ZINC000852474707	EF	On-Demand	Reactive	SCN2A	20	48
O=C(NCc1cccnc1N1CCCC1)NNc1cccc(Cl)n1	ZINC000852474707	EF	On-Demand	Reactive	SCN10A	24	50
C[C@@H]1CN(CC(=O)Nc2ccc3nc(O)[nH]c3c2)C[C@@H](C)C1=O	ZINC000852474708	DD	On-Demand	Anodyne	ENPP1	46	32
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cc(F)cc(Cl)c1	ZINC000852474721	GG	On-Demand	Anodyne	SCN2A	20	47
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cc(F)cc(Cl)c1	ZINC000852474721	GG	On-Demand	Anodyne	SCN10A	28	47
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cc(F)cc(Cl)c1	ZINC000852474722	GG	On-Demand	Anodyne	SCN2A	20	47
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cc(F)cc(Cl)c1	ZINC000852474722	GG	On-Demand	Anodyne	SCN10A	28	47
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)COc1cccc(F)c1	ZINC000852474849	GE	On-Demand	Anodyne	ADRB2	23	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)COc1cccc(F)c1	ZINC000852474849	GE	On-Demand	Anodyne	ADRB1	43	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)COc1cccc(F)c1	ZINC000852474849	GE	On-Demand	Anodyne	ADRB3	31	41
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)COc1cccc(F)c1	ZINC000852474849	GE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)COc1cccc(F)c1	ZINC000852474849	GE	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)COc1cccc(F)c1	ZINC000852474850	GE	On-Demand	Anodyne	ADRB2	23	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)COc1cccc(F)c1	ZINC000852474850	GE	On-Demand	Anodyne	ADRB1	43	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)COc1cccc(F)c1	ZINC000852474850	GE	On-Demand	Anodyne	ADRB3	31	41
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)COc1cccc(F)c1	ZINC000852474850	GE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)COc1cccc(F)c1	ZINC000852474850	GE	On-Demand	Anodyne	SCN10A	19	43
O=C(CNC(=O)NCc1cccnc1N1CCCC1)Nc1ccc(F)c(F)c1	ZINC000852474859	GE	On-Demand	Anodyne	TRPV1	21	43
O=C(CNC(=O)NCc1cccnc1N1CCCC1)Nc1ccc(F)c(F)c1	ZINC000852474859	GE	On-Demand	Anodyne	SCN2A	19	47
O=C(CNC(=O)NCc1cccnc1N1CCCC1)Nc1ccc(F)c(F)c1	ZINC000852474859	GE	On-Demand	Anodyne	F2R	41	32
O=C(CNC(=O)NCc1cccnc1N1CCCC1)Nc1ccc(F)c(F)c1	ZINC000852474859	GE	On-Demand	Anodyne	SCN10A	23	47
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@](O)(c2cnn[nH]2)C1	ZINC000852474864	FC	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@](O)(c2cnn[nH]2)C1	ZINC000852474864	FC	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)N1CC[C@](O)(c2cnn[nH]2)C1	ZINC000852474865	FC	On-Demand	Anodyne	SCN2A	17	41
O=C(NCc1cccnc1N1CCCC1)N1CC[C@](O)(c2cnn[nH]2)C1	ZINC000852474865	FC	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)N1CCC(C(=O)C(F)(F)F)CC1	ZINC000852474870	GF	On-Demand	Anodyne	TRPV1	31	42
O=C(NCc1cccnc1N1CCCC1)N1CCC(C(=O)C(F)(F)F)CC1	ZINC000852474870	GF	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)N1CCC(C(=O)C(F)(F)F)CC1	ZINC000852474870	GF	On-Demand	Anodyne	EPHX2	29	49
O=C(NCc1cccnc1N1CCCC1)N1CCC(C(=O)C(F)(F)F)CC1	ZINC000852474870	GF	On-Demand	Anodyne	SCN10A	26	46
CCc1ccc(N2CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)cc1	ZINC000852474875	GG	On-Demand	Anodyne	P2RY12	18	46
CCc1ccc(N2CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)cc1	ZINC000852474875	GG	On-Demand	Anodyne	TRPV1	17	58
CCc1ccc(N2CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)cc1	ZINC000852474875	GG	On-Demand	Anodyne	SCN2A	18	43
CCc1ccc(N2CCN(C(=O)NCc3cccnc3N3CCCC3)CC2)cc1	ZINC000852474875	GG	On-Demand	Anodyne	SCN10A	20	43
CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1cccnc1N1CCCC1	ZINC000852474880	FD	On-Demand	Anodyne	SCN2A	17	42
CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1cccnc1N1CCCC1	ZINC000852474880	FD	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)NNc1ncncc1F	ZINC000852474881	ED	On-Demand	Reactive	SCN2A	20	48
O=C(NCc1cccnc1N1CCCC1)NNc1ncncc1F	ZINC000852474881	ED	On-Demand	Reactive	SCN10A	26	48
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CC1)OCCO2	ZINC000852474882	ED	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CC1)OCCO2	ZINC000852474882	ED	On-Demand	Anodyne	SCN10A	20	44
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCC1	ZINC000852474885	DG	On-Demand	Anodyne	TRPV1	20	46
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCC1	ZINC000852474885	DG	On-Demand	Anodyne	SCN2A	22	53
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCC1	ZINC000852474885	DG	On-Demand	Anodyne	LIPA	55	35
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCC1	ZINC000852474885	DG	On-Demand	Anodyne	EPHX2	21	46
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCC1	ZINC000852474885	DG	On-Demand	Anodyne	DPP7	47	35
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCC1	ZINC000852474885	DG	On-Demand	Anodyne	SCN10A	23	53
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCC1	ZINC000852474885	DG	On-Demand	Anodyne	NAMPT	27	41
C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C[C@@H](C)C1=O	ZINC000852474891	EC	On-Demand	Reactive	CTRB_BOVIN	46	34
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852474893	GI	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852474893	GI	On-Demand	Anodyne	EPHX2	38	47
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@H](c2ccccc2)CC1	ZINC000852474893	GI	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852474894	GI	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852474894	GI	On-Demand	Anodyne	EPHX2	38	47
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852474894	GI	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	ZINC000852474895	GD	On-Demand	Reactive	SCN2A	17	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	ZINC000852474895	GD	On-Demand	Reactive	SCN10A	18	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	ZINC000852474896	GD	On-Demand	Reactive	SCN2A	17	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1COc2ccccc2O1	ZINC000852474896	GD	On-Demand	Reactive	SCN10A	18	40
Cc1ccccc1CC(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474897	FE	On-Demand	Reactive	SCN2A	19	45
Cc1ccccc1CC(=O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852474897	FE	On-Demand	Reactive	SCN10A	30	45
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852474898	GF	On-Demand	Anodyne	SCN2A	18	44
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852474898	GF	On-Demand	Anodyne	SCN10A	29	44
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852474904	FD	On-Demand	Anodyne	EPHX2	23	44
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852474904	FD	On-Demand	Anodyne	SCN10A	15	41
C[C@@H]1CN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H](C)C1=O	ZINC000852474905	FE	On-Demand	Anodyne	CNR2	24	44
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccc(F)cc1	ZINC000852474913	FE	On-Demand	Anodyne	SCN2A	17	43
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1ccc(F)cc1	ZINC000852474913	FE	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccc(F)cc1	ZINC000852474915	FE	On-Demand	Anodyne	SCN2A	17	43
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1ccc(F)cc1	ZINC000852474915	FE	On-Demand	Anodyne	SCN10A	19	43
COc1cc(C)nc(NNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852474919	FD	On-Demand	Reactive	SCN2A	17	41
COc1cc(C)nc(NNC(=O)NCc2cccnc2N2CCCC2)n1	ZINC000852474919	FD	On-Demand	Reactive	SCN10A	21	41
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CCCC2)C1	ZINC000852474952	EG	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CCCC2)C1	ZINC000852474952	EG	On-Demand	Anodyne	EPHX2	21	41
O=C(NCc1cccnc1N1CCCC1)N1CCC2(CCCC2)C1	ZINC000852474952	EG	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)N1CCCN(c2ncccc2F)CC1	ZINC000852474956	GF	On-Demand	Anodyne	TRPV1	23	46
O=C(NCc1cccnc1N1CCCC1)N1CCCN(c2ncccc2F)CC1	ZINC000852474956	GF	On-Demand	Anodyne	SCN2A	19	47
O=C(NCc1cccnc1N1CCCC1)N1CCCN(c2ncccc2F)CC1	ZINC000852474956	GF	On-Demand	Anodyne	EPHX2	15	47
O=C(NCc1cccnc1N1CCCC1)N1CCCN(c2ncccc2F)CC1	ZINC000852474956	GF	On-Demand	Anodyne	SCN10A	23	47
C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C[C@@H](C)C1=O	ZINC000852474957	FE	On-Demand	Anodyne	CNR1	19	45
C[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C[C@@H](C)C1=O	ZINC000852474957	FE	On-Demand	Anodyne	CNR2	36	45
CN(Cc1ncc(Cl)n1C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852474968	FE	On-Demand	Anodyne	SCN2A	19	46
CN(Cc1ncc(Cl)n1C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852474968	FE	On-Demand	Anodyne	SCN10A	23	46
O=C(NCc1cccc(N2CCOC2=O)c1)NCc1cccnc1N1CCCC1	ZINC000852474991	GF	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccc(N2CCOC2=O)c1)NCc1cccnc1N1CCCC1	ZINC000852474991	GF	On-Demand	Anodyne	SCN10A	19	42
C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccnc1N1CCCC1	ZINC000852475025	FG	On-Demand	Mild	SCN2A	17	41
C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccnc1N1CCCC1	ZINC000852475025	FG	On-Demand	Mild	SCN10A	18	41
COc1ccc2c(c1)CN(C(=O)NCc1cccnc1N1CCCC1)CCO2	ZINC000852475031	GF	On-Demand	Anodyne	BMP1	61	38
COc1ccc2c(c1)CN(C(=O)NCc1cccnc1N1CCCC1)CCO2	ZINC000852475031	GF	On-Demand	Anodyne	SCN10A	16	40
O=C(CN1CCC[C@@H]1c1nccc(C(F)(F)F)n1)Nc1cccnc1Cl	ZINC000852475034	GG	On-Demand	Anodyne	G2YM83_BOTF4	44	34
O=C(CN1CCC[C@H]1c1nccc(C(F)(F)F)n1)Nc1cccnc1Cl	ZINC000852475035	GG	On-Demand	Anodyne	G2YM83_BOTF4	44	34
O=C(N1CCC[C@H]([C@@H]2CCCCN2C[C@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852475053	GG	On-Demand	Anodyne	PREP	16	44
O=C(N1CCC[C@H]([C@H]2CCCCN2C[C@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852475055	GG	On-Demand	Anodyne	PREP	16	44
O=C(N1CCC[C@H]([C@@H]2CCCCN2C[C@@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852475057	GG	On-Demand	Anodyne	PREP	16	44
O=C(N1CCC[C@H]([C@H]2CCCCN2C[C@@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852475060	GG	On-Demand	Anodyne	PREP	16	44
CC(C)(C)OC(=O)NCCCN1CCc2nc(-c3ccccc3)sc2C1	ZINC000852475061	FI	On-Demand	Anodyne	DRD2	26	48
CC(C)(C)OC(=O)NCCCN1CCc2nc(-c3ccccc3)sc2C1	ZINC000852475061	FI	On-Demand	Anodyne	DRD3	45	38
c1ccc(-c2nc3c(s2)CN(CCN2CCCC2)CC3)cc1	ZINC000852475063	DG	On-Demand	Anodyne	LTA4H	20	40
c1ccc(-c2nc3c(s2)CN(CCN2CCCC2)CC3)cc1	ZINC000852475063	DG	On-Demand	Anodyne	HRH3	18	52
c1ccc(-c2nc3c(s2)CN(CCN2CCCC2)CC3)cc1	ZINC000852475063	DG	On-Demand	Anodyne	SIGMAR1	29	42
c1ccc(-c2nc3c(s2)CN(CCN2CCCC2)CC3)cc1	ZINC000852475063	DG	On-Demand	Anodyne	HNMT	41	35
Cc1noc(C)c1CN(C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852475128	EF	On-Demand	Anodyne	P2RX7	16	45
Cc1noc(C)c1CN(C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852475128	EF	On-Demand	Anodyne	SCN2A	17	41
Cc1noc(C)c1CN(C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852475128	EF	On-Demand	Anodyne	SCN10A	18	41
Cc1cccc2c1CCN(C(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852475133	FG	On-Demand	Anodyne	SCN2A	18	43
Cc1cccc2c1CCN(C(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852475133	FG	On-Demand	Anodyne	SCN10A	18	43
Cc1cccc2c1CCN(C(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852475133	FG	On-Demand	Anodyne	P2RY14	45	33
Cc1cccc2c1CCN(C(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852475133	FG	On-Demand	Anodyne	NAMPT	19	41
C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H](C)C1=O	ZINC000852475144	CE	On-Demand	Anodyne	CHRNA3	16	43
C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H](C)C1=O	ZINC000852475144	CE	On-Demand	Anodyne	CHRNA4	26	43
C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H](C)C1=O	ZINC000852475144	CE	On-Demand	Anodyne	Q8WSF8_APLCA	46	43
C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H](C)C1=O	ZINC000852475144	CE	On-Demand	Anodyne	NACHRBETA2	58	43
COC(=O)/C=C\c1ccc(OCCN2C[C@@H](C)C(=O)[C@H](C)C2)cc1	ZINC000852475147	EE	On-Demand	Anodyne	HRH3	16	42
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(Br)cn1	ZINC000852475158	GF	On-Demand	Reactive	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(Br)cn1	ZINC000852475158	GF	On-Demand	Reactive	SCN10A	20	46
O=C(COc1ccccc1O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852475159	GD	On-Demand	Reactive	SCN2A	18	43
O=C(COc1ccccc1O)NNC(=O)NCc1cccnc1N1CCCC1	ZINC000852475159	GD	On-Demand	Reactive	SCN10A	20	46
C[C@H]1CCOCCN1C(=O)NCc1cccnc1N1CCCC1	ZINC000852475162	DE	On-Demand	Anodyne	P2RX7	16	41
C[C@H]1CCOCCN1C(=O)NCc1cccnc1N1CCCC1	ZINC000852475162	DE	On-Demand	Anodyne	SCN2A	17	42
C[C@H]1CCOCCN1C(=O)NCc1cccnc1N1CCCC1	ZINC000852475162	DE	On-Demand	Anodyne	SCN10A	24	45
C[C@@H]1CCOCCN1C(=O)NCc1cccnc1N1CCCC1	ZINC000852475163	DE	On-Demand	Anodyne	P2RX7	16	41
C[C@@H]1CCOCCN1C(=O)NCc1cccnc1N1CCCC1	ZINC000852475163	DE	On-Demand	Anodyne	SCN2A	17	42
C[C@@H]1CCOCCN1C(=O)NCc1cccnc1N1CCCC1	ZINC000852475163	DE	On-Demand	Anodyne	SCN10A	24	45
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCCC1	ZINC000852475191	EH	On-Demand	Anodyne	TRPV1	20	46
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCCC1	ZINC000852475191	EH	On-Demand	Anodyne	SCN2A	22	53
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCCC1	ZINC000852475191	EH	On-Demand	Anodyne	LIPA	55	35
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCCC1	ZINC000852475191	EH	On-Demand	Anodyne	EPHX2	21	46
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCCC1	ZINC000852475191	EH	On-Demand	Anodyne	DPP7	47	35
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCCC1	ZINC000852475191	EH	On-Demand	Anodyne	SCN10A	23	53
O=C(NCc1cccnc1N1CCCC1)N1CCCCCCCC1	ZINC000852475191	EH	On-Demand	Anodyne	NAMPT	27	41
COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)C(=O)[C@H](C)C3)CC2)cc1	ZINC000852475196	FD	On-Demand	Clean	SSTR1	40	34
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475224	EH	On-Demand	Anodyne	CHRM1	28	56
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475224	EH	On-Demand	Anodyne	SLC6A4	21	52
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475224	EH	On-Demand	Anodyne	SLC6A3	65	54
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475224	EH	On-Demand	Anodyne	KCNH2	44	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475224	EH	On-Demand	Anodyne	SLC18A3	18	54
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475224	EH	On-Demand	Anodyne	ACHP_LYMST	32	56
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475224	EH	On-Demand	Anodyne	Q8WSF8_APLCA	39	56
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475225	EH	On-Demand	Anodyne	CHRM1	28	56
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475225	EH	On-Demand	Anodyne	SLC6A4	21	52
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475225	EH	On-Demand	Anodyne	SLC6A3	65	54
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475225	EH	On-Demand	Anodyne	KCNH2	44	43
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475225	EH	On-Demand	Anodyne	SLC18A3	18	54
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475225	EH	On-Demand	Anodyne	ACHP_LYMST	32	56
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1	ZINC000852475225	EH	On-Demand	Anodyne	Q8WSF8_APLCA	39	56
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852475226	GG	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cccc2ccccc12	ZINC000852475226	GG	On-Demand	Anodyne	SCN10A	24	44
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852475227	GG	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cccc2ccccc12	ZINC000852475227	GG	On-Demand	Anodyne	SCN10A	24	44
C#CC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852475228	DE	On-Demand	Mild	TRPV1	16	43
C#CC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852475228	DE	On-Demand	Mild	SCN2A	18	45
C#CC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852475228	DE	On-Demand	Mild	EPHX2	24	45
C#CC1CCN(C(=O)NCc2cccnc2N2CCCC2)CC1	ZINC000852475228	DE	On-Demand	Mild	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1O2	ZINC000852475247	FD	On-Demand	Reactive	SCN10A	15	40
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	ZINC000852475248	FD	On-Demand	Reactive	SCN10A	15	40
C#CCNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475250	CD	On-Demand	Mild	CHRM1	15	40
C#CCNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475250	CD	On-Demand	Mild	SLC6A3	16	48
C#CCNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475250	CD	On-Demand	Mild	KCNH2	50	55
C#CCNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475250	CD	On-Demand	Mild	GLRA1	43	32
C#CCNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475250	CD	On-Demand	Mild	ACHP_LYMST	28	40
C#CCNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475250	CD	On-Demand	Mild	Q8WSF8_APLCA	34	40
Cc1ccccc1CN1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475260	FI	On-Demand	Anodyne	SLC6A1	50	33
Cc1ccccc1CN1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475261	FI	On-Demand	Anodyne	SLC6A1	50	33
Cc1ccccc1CN1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475262	FI	On-Demand	Anodyne	SLC6A1	50	33
Cc1ccccc1CN1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852475264	FI	On-Demand	Anodyne	SLC6A1	50	33
O=C(CN1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)Nc1ccccc1	ZINC000852475273	GG	On-Demand	Anodyne	RBP4	60	32
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	CHRM2	19	45
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	CHRM1	31	45
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	SLC6A3	45	59
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	KCNH2	54	58
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	CHRM4	21	42
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	CHRM5	27	42
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	CHRM3	23	45
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	GLRA1	56	38
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	ACHP_LYMST	42	51
CC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475274	CG	On-Demand	Anodyne	Q8WSF8_APLCA	48	51
O=C(CN1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)Nc1ccccc1	ZINC000852475275	GG	On-Demand	Anodyne	RBP4	60	32
O=C(CN1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)Nc1ccccc1	ZINC000852475277	GG	On-Demand	Anodyne	RBP4	60	32
O=C(CN1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)Nc1ccccc1	ZINC000852475279	GG	On-Demand	Anodyne	RBP4	60	32
O=c1cc(CN2CCC[C@H]2c2nccc(C(F)(F)F)n2)c2ccc(O)cc2o1	ZINC000852475455	GH	On-Demand	Anodyne	HSD17B3	27	42
O=c1cc(CN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c2ccc(O)cc2o1	ZINC000852475456	GH	On-Demand	Anodyne	HSD17B3	27	42
C[C@@H]1CN(C[C@@H](O)c2cccnc2)C[C@@H](C)C1=O	ZINC000852475460	BD	On-Demand	Anodyne	ADRB3	42	42
C[C@@H]1CN(C[C@H](O)c2cccnc2)C[C@@H](C)C1=O	ZINC000852475462	BD	On-Demand	Anodyne	ADRB3	42	42
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475468	GH	On-Demand	Anodyne	SLC6A1	48	37
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475468	GH	On-Demand	Anodyne	UGCG	40	34
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475468	GH	On-Demand	Anodyne	PREP	45	41
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475468	GH	On-Demand	Anodyne	GBA2	52	38
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475472	GH	On-Demand	Anodyne	SLC6A1	48	37
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475472	GH	On-Demand	Anodyne	UGCG	40	34
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475472	GH	On-Demand	Anodyne	PREP	45	41
O=C(N1CCC[C@H]([C@@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475472	GH	On-Demand	Anodyne	GBA2	52	38
O=C(N1CCC[C@H]([C@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475477	GH	On-Demand	Anodyne	SLC6A1	48	37
O=C(N1CCC[C@H]([C@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475477	GH	On-Demand	Anodyne	UGCG	40	34
O=C(N1CCC[C@H]([C@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475477	GH	On-Demand	Anodyne	PREP	45	41
O=C(N1CCC[C@H]([C@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475477	GH	On-Demand	Anodyne	GBA2	52	38
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475481	GH	On-Demand	Anodyne	SLC6A1	48	37
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475481	GH	On-Demand	Anodyne	UGCG	40	34
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475481	GH	On-Demand	Anodyne	PREP	45	41
O=C(N1CCC[C@@H]([C@H]2CCCCN2CCOCc2ccccc2)C1)C(F)(F)F	ZINC000852475481	GH	On-Demand	Anodyne	GBA2	52	38
O=C(CCN1CCC[C@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475505	GH	On-Demand	Anodyne	CPT1A	45	37
O=C(CCN1CCC[C@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475505	GH	On-Demand	Anodyne	PREP	46	35
O=C(CCN1CCC[C@@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475506	GH	On-Demand	Anodyne	CPT1A	45	37
O=C(CCN1CCC[C@@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475506	GH	On-Demand	Anodyne	PREP	46	35
O=C(N1CCC[C@@H]([C@H]2CCCCN2C[C@@H](O)Cc2ccccc2)C1)C(F)(F)F	ZINC000852475515	GG	On-Demand	Anodyne	PREP	27	41
O=C(N1CCC[C@@H]([C@H]2CCCCN2C[C@H](O)Cc2ccccc2)C1)C(F)(F)F	ZINC000852475519	GG	On-Demand	Anodyne	PREP	27	41
O=C(N1CCC[C@@H]([C@@H]2CCCCN2C[C@H](O)Cc2ccccc2)C1)C(F)(F)F	ZINC000852475523	GG	On-Demand	Anodyne	PREP	27	41
O=C(N1CCC[C@@H]([C@@H]2CCCCN2C[C@@H](O)Cc2ccccc2)C1)C(F)(F)F	ZINC000852475524	GG	On-Demand	Anodyne	PREP	27	41
CN(C[C@@](C)(O)c1ccccc1)C(=O)NCc1cccnc1N1CCCC1	ZINC000852475659	FF	On-Demand	Anodyne	SCN2A	18	42
CN(C[C@@](C)(O)c1ccccc1)C(=O)NCc1cccnc1N1CCCC1	ZINC000852475659	FF	On-Demand	Anodyne	SCN10A	23	42
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475670	FI	On-Demand	Anodyne	CHRM1	15	44
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475670	FI	On-Demand	Anodyne	SLC6A3	24	47
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475670	FI	On-Demand	Anodyne	KCNH2	44	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475670	FI	On-Demand	Anodyne	ACHP_LYMST	20	44
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475670	FI	On-Demand	Anodyne	Q8WSF8_APLCA	30	44
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475671	FI	On-Demand	Anodyne	CHRM1	15	44
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475671	FI	On-Demand	Anodyne	SLC6A3	24	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475671	FI	On-Demand	Anodyne	KCNH2	44	43
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475671	FI	On-Demand	Anodyne	ACHP_LYMST	20	44
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc(F)ccc1F	ZINC000852475671	FI	On-Demand	Anodyne	Q8WSF8_APLCA	30	44
O=C(NCc1cccnc1N1CCCC1)NC1CCC(N2CCCCC2)CC1	ZINC000852475748	GG	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NC1CCC(N2CCCCC2)CC1	ZINC000852475748	GG	On-Demand	Anodyne	EPHX2	28	47
O=C(NCc1cccnc1N1CCCC1)NC1CCC(N2CCCCC2)CC1	ZINC000852475748	GG	On-Demand	Anodyne	SCN10A	19	46
O=C(NCc1cccnc1N1CCCC1)NC1CCC(N2CCCCC2)CC1	ZINC000852475748	GG	On-Demand	Anodyne	L3MBTL3	81	34
CC(C)(C)C(=O)CCN1CCc2nc(-c3ccccc3)sc2C1	ZINC000852475751	EI	On-Demand	Anodyne	CYP2J2	44	31
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCN2CCCC2)cc1	ZINC000852475754	DG	On-Demand	Anodyne	SLC6A3	19	58
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCN2CCCC2)cc1	ZINC000852475754	DG	On-Demand	Anodyne	KCNH2	49	48
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCN2CCCC2)cc1	ZINC000852475754	DG	On-Demand	Anodyne	LTA4H	43	43
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCN2CCCC2)cc1	ZINC000852475754	DG	On-Demand	Anodyne	HRH3	42	45
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCN2CCCC2)cc1	ZINC000852475754	DG	On-Demand	Anodyne	SIGMAR1	21	40
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCN2CCCC2)cc1	ZINC000852475754	DG	On-Demand	Anodyne	ACHP_LYMST	37	41
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCN2CCCC2)cc1	ZINC000852475754	DG	On-Demand	Anodyne	Q8WSF8_APLCA	29	41
O=C(CN1CCc2nc(-c3ccccc3)sc2C1)NCc1ccccn1	ZINC000852475758	FF	On-Demand	Anodyne	SLC27A1	24	41
CC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C(=O)[C@H](C)C2)cc1	ZINC000852475782	DD	On-Demand	Anodyne	ACOX1	48	31
CC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C(=O)[C@H](C)C2)cc1	ZINC000852475782	DD	On-Demand	Anodyne	ABCB1	55	46
CC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)C(=O)[C@H](C)C2)cc1	ZINC000852475783	DD	On-Demand	Anodyne	ACOX1	48	31
CC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)C(=O)[C@H](C)C2)cc1	ZINC000852475783	DD	On-Demand	Anodyne	ABCB1	55	46
O=C1OCCN1CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852475784	EF	On-Demand	Anodyne	KCNH2	44	48
C[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@@H](C)C1=O	ZINC000852475786	CE	On-Demand	Mild	HRH3	92	58
C[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@@H](C)C1=O	ZINC000852475786	CE	On-Demand	Mild	MEN1	51	45
Cc1cnc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cn1	ZINC000852475790	DG	On-Demand	Anodyne	KCNH2	47	46
OC1(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CCCCC1	ZINC000852475812	DH	On-Demand	Anodyne	KCNH2	45	45
O=C(CCN1CCc2nc(-c3ccccc3)sc2C1)C1CC1	ZINC000852475861	DH	On-Demand	Anodyne	CYP2J2	45	32
O=C(CN1CCC[C@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475969	FG	On-Demand	Anodyne	CPT1A	56	38
O=C(CN1CCC[C@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475969	FG	On-Demand	Anodyne	PREP	45	36
O=C(CN1CCC[C@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475969	FG	On-Demand	Anodyne	SLC12A5	42	33
O=C(CN1CCC[C@@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475970	FG	On-Demand	Anodyne	CPT1A	56	38
O=C(CN1CCC[C@@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475970	FG	On-Demand	Anodyne	PREP	45	36
O=C(CN1CCC[C@@H]1c1nccc(C(F)(F)F)n1)OCc1ccccc1	ZINC000852475970	FG	On-Demand	Anodyne	SLC12A5	42	33
CCOC(=O)C1=C(CN2C[C@@H](C)C(=O)[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852475979	GE	On-Demand	Anodyne	CACNA1D	32	41
CCOC(=O)C1=C(CN2C[C@@H](C)C(=O)[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852475979	GE	On-Demand	Anodyne	SLC27A4	78	37
CCOC(=O)C1=C(CN2C[C@@H](C)C(=O)[C@H](C)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852475980	GE	On-Demand	Anodyne	CACNA1D	32	41
CCOC(=O)C1=C(CN2C[C@@H](C)C(=O)[C@H](C)C2)NC(=O)N[C@H]1c1ccccc1	ZINC000852475980	GE	On-Demand	Anodyne	SLC27A4	78	37
C#C[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852475983	DE	On-Demand	Mild	SCN2A	18	44
C#C[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852475983	DE	On-Demand	Mild	EPHX2	15	40
C#C[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852475983	DE	On-Demand	Mild	SCN10A	19	44
C#C[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852475983	DE	On-Demand	Mild	GPBAR1	15	41
C#C[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852475984	DE	On-Demand	Mild	SCN2A	18	44
C#C[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852475984	DE	On-Demand	Mild	EPHX2	15	40
C#C[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852475984	DE	On-Demand	Mild	SCN10A	19	44
C#C[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852475984	DE	On-Demand	Mild	GPBAR1	15	41
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475995	EH	On-Demand	Anodyne	CHRM1	16	46
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475995	EH	On-Demand	Anodyne	SLC6A3	18	51
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475995	EH	On-Demand	Anodyne	KCNH2	44	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475995	EH	On-Demand	Anodyne	ACHP_LYMST	29	47
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475995	EH	On-Demand	Anodyne	Q8WSF8_APLCA	31	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475996	EH	On-Demand	Anodyne	CHRM1	16	46
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475996	EH	On-Demand	Anodyne	SLC6A3	18	51
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475996	EH	On-Demand	Anodyne	KCNH2	44	43
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475996	EH	On-Demand	Anodyne	ACHP_LYMST	29	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1F	ZINC000852475996	EH	On-Demand	Anodyne	Q8WSF8_APLCA	31	47
CN(C)S(=O)(=O)c1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)o1	ZINC000852475997	GG	On-Demand	Anodyne	KCNH2	42	45
O=C1OCCN1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476018	DF	On-Demand	Anodyne	KCNH2	46	47
O=C1OCCN1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476018	DF	On-Demand	Anodyne	ACHP_LYMST	28	40
O=C1OCCN1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476018	DF	On-Demand	Anodyne	Q8WSF8_APLCA	29	40
O=C(NCc1cccnc1N1CCCC1)N[C@H]1C=CCC1	ZINC000852476019	CE	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N[C@H]1C=CCC1	ZINC000852476019	CE	On-Demand	Anodyne	SCN10A	19	44
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1C=CCC1	ZINC000852476020	CE	On-Demand	Anodyne	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1C=CCC1	ZINC000852476020	CE	On-Demand	Anodyne	SCN10A	19	44
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476035	FI	On-Demand	Anodyne	CHRM1	20	45
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476035	FI	On-Demand	Anodyne	SLC6A3	33	50
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476035	FI	On-Demand	Anodyne	KCNH2	44	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476035	FI	On-Demand	Anodyne	ACHP_LYMST	24	50
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476035	FI	On-Demand	Anodyne	Q8WSF8_APLCA	33	50
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476036	FI	On-Demand	Anodyne	CHRM1	20	45
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476036	FI	On-Demand	Anodyne	SLC6A3	33	50
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476036	FI	On-Demand	Anodyne	KCNH2	44	43
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476036	FI	On-Demand	Anodyne	ACHP_LYMST	24	50
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)c(F)c1	ZINC000852476036	FI	On-Demand	Anodyne	Q8WSF8_APLCA	33	50
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852476037	GF	On-Demand	Anodyne	TRPV1	37	40
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852476037	GF	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NC[C@H](O)c1cc(F)c(F)c(F)c1	ZINC000852476037	GF	On-Demand	Anodyne	SCN10A	20	46
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852476038	GF	On-Demand	Anodyne	TRPV1	37	40
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852476038	GF	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NC[C@@H](O)c1cc(F)c(F)c(F)c1	ZINC000852476038	GF	On-Demand	Anodyne	SCN10A	20	46
CN(CCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852476039	GE	On-Demand	Anodyne	SCN2A	18	43
CN(CCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCCC1	ZINC000852476039	GE	On-Demand	Anodyne	SCN10A	27	43
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@]2(C1)CC2(F)F	ZINC000852476050	FG	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@@]2(C1)CC2(F)F	ZINC000852476050	FG	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@]2(C1)CC2(F)F	ZINC000852476051	FG	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N1CCC[C@]2(C1)CC2(F)F	ZINC000852476051	FG	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852476057	FE	On-Demand	Anodyne	SCN2A	18	43
O=C(NCc1cccnc1N1CCCC1)NC[C@]12OCCC[C@H]1C2(F)F	ZINC000852476057	FE	On-Demand	Anodyne	SCN10A	19	43
O=C(NCc1cccnc1N1CCCC1)N1CCc2cc(Cl)nnc2C1	ZINC000852476064	FE	On-Demand	Anodyne	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)N1CCc2cc(Cl)nnc2C1	ZINC000852476064	FE	On-Demand	Anodyne	MAPK1	37	43
O=C(NCc1cccnc1N1CCCC1)N1CCc2cc(Cl)nnc2C1	ZINC000852476064	FE	On-Demand	Anodyne	SCN10A	20	46
CCOC(=O)N1CCC(NC(=O)NCC(C)(C)C(O)(CC)CC)CC1	ZINC000852476072	FE	On-Demand	Anodyne	EPHX2	31	47
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CC[C@@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852476243	GH	On-Demand	Anodyne	PREP	15	43
O=C(N1CCC[C@H]([C@@H]2CCCCN2CC[C@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852476244	GH	On-Demand	Anodyne	PREP	15	43
O=C(N1CCC[C@H]([C@@H]2CCCCN2CC[C@@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852476245	GH	On-Demand	Anodyne	PREP	15	43
O=C(N1CCC[C@@H]([C@H]2CCCCN2CC[C@@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852476247	GH	On-Demand	Anodyne	PREP	15	43
O=C(N1CCC[C@H]([C@H]2CCCCN2CC[C@@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852476249	GH	On-Demand	Anodyne	PREP	15	43
O=C(N1CCC[C@H]([C@H]2CCCCN2CC[C@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852476251	GH	On-Demand	Anodyne	PREP	15	43
O=C(N1CCC[C@@H]([C@H]2CCCCN2CC[C@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852476253	GH	On-Demand	Anodyne	PREP	15	43
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CC[C@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852476255	GH	On-Demand	Anodyne	PREP	15	43
O=C(CN1CCC[C@@H]1c1nccc(C(F)(F)F)n1)NNC(=O)c1ccccc1	ZINC000852476304	GE	On-Demand	Reactive	SFRP1	40	31
O=C(CN1CCC[C@H]1c1nccc(C(F)(F)F)n1)NNC(=O)c1ccccc1	ZINC000852476305	GE	On-Demand	Reactive	SFRP1	40	31
O[C@@H](CN1CCc2nc(-c3ccccc3)sc2C1)c1cccnc1	ZINC000852476318	EG	On-Demand	Anodyne	ADRB3	43	38
COc1ccc(OC)c([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852476320	GH	On-Demand	Anodyne	KCNH2	44	42
COc1ccc(OC)c([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852476320	GH	On-Demand	Anodyne	ACHP_LYMST	28	44
COc1ccc(OC)c([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852476320	GH	On-Demand	Anodyne	Q8WSF8_APLCA	30	42
O[C@H](CN1CCc2nc(-c3ccccc3)sc2C1)c1cccnc1	ZINC000852476321	EG	On-Demand	Anodyne	ADRB3	43	38
CCOC(=O)N1CCC(NC(=O)CN2C[C@@H](C)C(=O)[C@H](C)C2)CC1	ZINC000852476337	EC	On-Demand	Anodyne	CCR8	25	40
C#CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476338	BF	On-Demand	Mild	KCNH2	47	47
O=C(NCc1ncccn1)NCc1cccnc1N1CCCC1	ZINC000852476340	DD	On-Demand	Anodyne	TRPV1	18	42
O=C(NCc1ncccn1)NCc1cccnc1N1CCCC1	ZINC000852476340	DD	On-Demand	Anodyne	SCN2A	21	51
O=C(NCc1ncccn1)NCc1cccnc1N1CCCC1	ZINC000852476340	DD	On-Demand	Anodyne	SCN10A	22	51
O=C(NCc1ncccn1)NCc1cccnc1N1CCCC1	ZINC000852476340	DD	On-Demand	Anodyne	NAMPT	26	40
O[C@@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476345	EF	On-Demand	Anodyne	SLC6A3	15	51
O[C@@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476345	EF	On-Demand	Anodyne	KCNH2	44	43
O[C@@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476345	EF	On-Demand	Anodyne	HTR4	15	47
O[C@@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476345	EF	On-Demand	Anodyne	SLC18A3	15	42
O[C@@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476345	EF	On-Demand	Anodyne	ACHP_LYMST	30	44
O[C@@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476345	EF	On-Demand	Anodyne	Q8WSF8_APLCA	30	44
O[C@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476347	EF	On-Demand	Anodyne	SLC6A3	15	51
O[C@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476347	EF	On-Demand	Anodyne	KCNH2	44	43
O[C@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476347	EF	On-Demand	Anodyne	HTR4	15	47
O[C@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476347	EF	On-Demand	Anodyne	SLC18A3	15	42
O[C@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476347	EF	On-Demand	Anodyne	ACHP_LYMST	30	44
O[C@H](CN1CCCC1)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476347	EF	On-Demand	Anodyne	Q8WSF8_APLCA	30	44
C#C[C@H](NC(=O)NCc1cccnc1N1CCCC1)C1CCOCC1	ZINC000852476366	ED	On-Demand	Mild	SCN10A	20	41
C#C[C@@H](NC(=O)NCc1cccnc1N1CCCC1)C1CCOCC1	ZINC000852476367	ED	On-Demand	Mild	SCN10A	20	41
C[C@@H]1CN(CC(=O)OCc2ccccc2)C[C@@H](C)C1=O	ZINC000852476376	CD	On-Demand	Anodyne	CHRM5	17	42
C[C@@H]1CN(CC(=O)OCc2ccccc2)C[C@@H](C)C1=O	ZINC000852476376	CD	On-Demand	Anodyne	CAPNS1	50	30
C[C@@H]1CN(CC(=O)OCc2ccccc2)C[C@@H](C)C1=O	ZINC000852476376	CD	On-Demand	Anodyne	NPR	44	32
C[C@@H]1CN(CC(=O)OCc2ccccc2)C[C@@H](C)C1=O	ZINC000852476376	CD	On-Demand	Anodyne	NAAA	50	41
C[C@@H]1CN(CC(=O)OCc2ccccc2)C[C@@H](C)C1=O	ZINC000852476376	CD	On-Demand	Anodyne	SLC12A5	65	37
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1COC2(CCC2)C1	ZINC000852476378	EE	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@@H]1COC2(CCC2)C1	ZINC000852476378	EE	On-Demand	Anodyne	SCN10A	19	42
O=C(NCc1cccnc1N1CCCC1)N[C@H]1COC2(CCC2)C1	ZINC000852476379	EE	On-Demand	Anodyne	SCN2A	17	42
O=C(NCc1cccnc1N1CCCC1)N[C@H]1COC2(CCC2)C1	ZINC000852476379	EE	On-Demand	Anodyne	SCN10A	19	42
C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476394	DE	On-Demand	Mild	SLC6A3	18	50
C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476394	DE	On-Demand	Mild	KCNH2	43	41
C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476394	DE	On-Demand	Mild	GLRA1	45	34
C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476395	DE	On-Demand	Mild	SLC6A3	18	50
C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476395	DE	On-Demand	Mild	KCNH2	43	41
C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476395	DE	On-Demand	Mild	GLRA1	45	34
CCOC(=O)C1=C(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)NC(=O)N[C@H]1C	ZINC000852476397	GF	On-Demand	Anodyne	KCNH2	48	46
CCOC(=O)C1=C(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)NC(=O)N[C@@H]1C	ZINC000852476398	GF	On-Demand	Anodyne	KCNH2	48	46
C[C@H]1C[C@H](NC(=O)NCc2ccc(OCc3ccccc3)cc2)c2ncnn21	ZINC000852476410	GG	On-Demand	Anodyne	ADAM17	37	43
C[C@H]1C[C@H](NC(=O)NCc2ccc(OCc3ccccc3)cc2)c2ncnn21	ZINC000852476410	GG	On-Demand	Anodyne	PDS	52	35
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476428	FI	On-Demand	Anodyne	CHRM1	16	42
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476428	FI	On-Demand	Anodyne	SLC6A3	18	51
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476428	FI	On-Demand	Anodyne	KCNH2	47	46
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476428	FI	On-Demand	Anodyne	ACHP_LYMST	31	47
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476428	FI	On-Demand	Anodyne	Q8WSF8_APLCA	32	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476429	FI	On-Demand	Anodyne	CHRM1	16	42
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476429	FI	On-Demand	Anodyne	SLC6A3	18	51
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476429	FI	On-Demand	Anodyne	KCNH2	47	46
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476429	FI	On-Demand	Anodyne	ACHP_LYMST	31	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1c(F)cccc1F	ZINC000852476429	FI	On-Demand	Anodyne	Q8WSF8_APLCA	32	47
CC(C)c1ccc(NC(=O)CN2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1	ZINC000852476434	GI	On-Demand	Anodyne	EPHX2	16	40
CC(C)c1ccc(NC(=O)CN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1	ZINC000852476437	GI	On-Demand	Anodyne	EPHX2	16	40
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1ccc(O)cc1	ZINC000852476442	FG	On-Demand	Anodyne	KCNH2	50	70
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1ccc(O)cc1	ZINC000852476442	FG	On-Demand	Anodyne	LTA4H	51	44
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1ccc(O)cc1	ZINC000852476442	FG	On-Demand	Anodyne	ACHP_LYMST	28	41
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1ccc(O)cc1	ZINC000852476442	FG	On-Demand	Anodyne	Q8WSF8_APLCA	31	40
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2nc3ccccc3[nH]2)cc1	ZINC000852476445	EI	On-Demand	Anodyne	KCNH2	44	45
O=C1CCC2=C(CCN(C(=O)NCc3cccnc3N3CCCC3)C2)N1	ZINC000852476446	FD	On-Demand	Anodyne	SCN2A	18	43
O=C1CCC2=C(CCN(C(=O)NCc3cccnc3N3CCCC3)C2)N1	ZINC000852476446	FD	On-Demand	Anodyne	SCN10A	18	43
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852476449	FD	On-Demand	Reactive	SCN2A	18	44
O=C(NCc1cccnc1N1CCCC1)NNC(=O)c1cccc(F)n1	ZINC000852476449	FD	On-Demand	Reactive	SCN10A	23	49
COCCN(CCF)C(=O)NCc1cccnc1N1CCCC1	ZINC000852476588	DD	On-Demand	Anodyne	SCN2A	18	44
COCCN(CCF)C(=O)NCc1cccnc1N1CCCC1	ZINC000852476588	DD	On-Demand	Anodyne	SCN10A	22	44
O=C(NCc1cccnc1N1CCCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852476591	FD	On-Demand	Anodyne	EPHX2	15	40
O=C(NCc1cccnc1N1CCCC1)N1CCC(N2CCOC2=O)CC1	ZINC000852476591	FD	On-Demand	Anodyne	SCN10A	16	41
C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)C[C@@H](C)C1=O	ZINC000852476592	CE	On-Demand	Anodyne	SLC6A3	24	43
C[C@@H]1CN(C[C@@H](O)c2ccc(F)cc2)C[C@@H](C)C1=O	ZINC000852476594	CE	On-Demand	Anodyne	SLC6A3	24	43
C=C(Br)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476603	DH	On-Demand	Mild	KCNH2	48	49
O=C(NCc1cccnc1N1CCCC1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852476616	FD	On-Demand	Anodyne	SCN10A	16	40
O=C(NCc1cccnc1N1CCCC1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852476617	FD	On-Demand	Anodyne	SCN10A	16	40
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852476621	GE	On-Demand	Anodyne	SCN2A	16	40
COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852476621	GE	On-Demand	Anodyne	SCN10A	17	40
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852476623	GE	On-Demand	Anodyne	SCN2A	16	40
COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852476623	GE	On-Demand	Anodyne	SCN10A	17	40
O=C(NCCC1SCCS1)NCc1cccnc1N1CCCC1	ZINC000852476648	FF	On-Demand	Anodyne	SCN2A	18	44
O=C(NCCC1SCCS1)NCc1cccnc1N1CCCC1	ZINC000852476648	FF	On-Demand	Anodyne	SCN10A	19	44
COCCS(=O)(=O)CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476662	FF	On-Demand	Anodyne	CHRM1	21	43
COCCS(=O)(=O)CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476662	FF	On-Demand	Anodyne	SLC6A3	27	50
COCCS(=O)(=O)CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476662	FF	On-Demand	Anodyne	KCNH2	45	49
COCCS(=O)(=O)CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476662	FF	On-Demand	Anodyne	ACHP_LYMST	28	42
COCCS(=O)(=O)CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476662	FF	On-Demand	Anodyne	Q8WSF8_APLCA	28	42
CN(C[C@@]1(O)CCc2ccccc21)C(=O)NCc1cccnc1N1CCCC1	ZINC000852476676	GF	On-Demand	Anodyne	SCN2A	17	41
CN(C[C@@]1(O)CCc2ccccc21)C(=O)NCc1cccnc1N1CCCC1	ZINC000852476676	GF	On-Demand	Anodyne	SCN10A	18	41
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(Cl)cn1	ZINC000852476680	EF	On-Demand	Reactive	F10	28	41
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(Cl)cn1	ZINC000852476680	EF	On-Demand	Reactive	P2RX7	16	42
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(Cl)cn1	ZINC000852476680	EF	On-Demand	Reactive	SCN2A	23	55
O=C(NCc1cccnc1N1CCCC1)NNc1ccc(Cl)cn1	ZINC000852476680	EF	On-Demand	Reactive	SCN10A	43	55
CC(=O)c1ccc(OC[C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476691	GH	On-Demand	Anodyne	CHRM2	15	41
CC(=O)c1ccc(OC[C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476691	GH	On-Demand	Anodyne	SLC6A3	16	46
CC(=O)c1ccc(OC[C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476691	GH	On-Demand	Anodyne	KCNH2	47	45
CC(=O)c1ccc(OC[C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476691	GH	On-Demand	Anodyne	ABCB1	50	46
CC(=O)c1ccc(OC[C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476691	GH	On-Demand	Anodyne	GLRA1	49	37
CC(=O)c1ccc(OC[C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476691	GH	On-Demand	Anodyne	ACHP_LYMST	35	51
CC(=O)c1ccc(OC[C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476691	GH	On-Demand	Anodyne	Q8WSF8_APLCA	49	51
CC(=O)c1ccc(OC[C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476692	GH	On-Demand	Anodyne	CHRM2	15	41
CC(=O)c1ccc(OC[C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476692	GH	On-Demand	Anodyne	SLC6A3	16	46
CC(=O)c1ccc(OC[C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476692	GH	On-Demand	Anodyne	KCNH2	47	45
CC(=O)c1ccc(OC[C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476692	GH	On-Demand	Anodyne	ABCB1	50	46
CC(=O)c1ccc(OC[C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476692	GH	On-Demand	Anodyne	GLRA1	49	37
CC(=O)c1ccc(OC[C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476692	GH	On-Demand	Anodyne	ACHP_LYMST	35	51
CC(=O)c1ccc(OC[C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852476692	GH	On-Demand	Anodyne	Q8WSF8_APLCA	49	51
C[C@@H]1CN(C)C[C@@H](C(=O)NNC(=O)NCc2cccnc2N2CCCC2)O1	ZINC000852476703	GC	On-Demand	Reactive	SCN10A	16	41
C[C@@H]1CN(C)C[C@H](C(=O)NNC(=O)NCc2cccnc2N2CCCC2)O1	ZINC000852476704	GC	On-Demand	Reactive	SCN10A	16	41
N#Cc1cc(F)ccc1CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476709	EI	On-Demand	Mild	KCNH2	52	52
O=C(NCc1cccnc1N1CCCC1)NNC(=O)[C@@H]1CN2CCC[C@@H]2CO1	ZINC000852476722	GC	On-Demand	Reactive	SCN10A	15	40
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3C[C@H](C)n4ncnc43)CC2)c(F)c1	ZINC000852476729	GE	On-Demand	Anodyne	SLC6A9	17	41
CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3C[C@H](C)n4ncnc43)CC2)c(F)c1	ZINC000852476730	GE	On-Demand	Anodyne	SLC6A9	17	41
CC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)n4ncnc43)CC2)c(F)c1	ZINC000852476731	GE	On-Demand	Anodyne	SLC6A9	17	41
CC(=O)c1ccc(N2CCN(C(=O)N[C@H]3C[C@@H](C)n4ncnc43)CC2)c(F)c1	ZINC000852476732	GE	On-Demand	Anodyne	SLC6A9	17	41
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H](C)C1=O	ZINC000852476751	CC	On-Demand	Anodyne	CHRM2	18	41
C[C@@H]1CN(C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H](C)C1=O	ZINC000852476751	CC	On-Demand	Anodyne	CHRM3	30	40
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)C1=O	ZINC000852476752	CC	On-Demand	Anodyne	CHRM2	18	41
C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)C1=O	ZINC000852476752	CC	On-Demand	Anodyne	CHRM3	30	40
O=C(N1CCC[C@H]([C@H]2CCCCN2C[C@@H]2Cc3ccccc32)C1)C(F)(F)F	ZINC000852476867	GH	On-Demand	Anodyne	RBP4	58	35
O=C(N1CCC[C@H]([C@@H]2CCCCN2C[C@@H]2Cc3ccccc32)C1)C(F)(F)F	ZINC000852476868	GH	On-Demand	Anodyne	RBP4	58	35
O=C(N1CCC[C@H]([C@@H]2CCCCN2C[C@H]2Cc3ccccc32)C1)C(F)(F)F	ZINC000852476869	GH	On-Demand	Anodyne	RBP4	58	35
O=C(N1CCC[C@H]([C@H]2CCCCN2C[C@H]2Cc3ccccc32)C1)C(F)(F)F	ZINC000852476870	GH	On-Demand	Anodyne	RBP4	58	35
CCCCC[C@@H](C)NC(=O)CN1C[C@@H](C)C(=O)[C@H](C)C1	ZINC000852476912	CE	On-Demand	Anodyne	LASR	44	33
CCCCC[C@@H](C)NC(=O)CN1C[C@@H](C)C(=O)[C@H](C)C1	ZINC000852476912	CE	On-Demand	Anodyne	NOD1	61	35
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccnc1N1CCCC1	ZINC000852476913	GD	On-Demand	Anodyne	TRPV1	40	41
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccnc1N1CCCC1	ZINC000852476913	GD	On-Demand	Anodyne	SCN2A	18	44
O=C(NCCS(=O)(=O)CC(F)(F)F)NCc1cccnc1N1CCCC1	ZINC000852476913	GD	On-Demand	Anodyne	SCN10A	25	44
COC(=O)N(C)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852476915	ED	On-Demand	Anodyne	SCN2A	17	43
COC(=O)N(C)CCNC(=O)NCc1cccnc1N1CCCC1	ZINC000852476915	ED	On-Demand	Anodyne	SCN10A	19	43
C=C(Cl)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476924	CH	On-Demand	Mild	CHRM1	16	40
C=C(Cl)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476924	CH	On-Demand	Mild	SLC6A3	15	55
C=C(Cl)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852476924	CH	On-Demand	Mild	KCNH2	50	51
C#CC[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852476926	EF	On-Demand	Mild	SCN2A	17	42
C#CC[C@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852476926	EF	On-Demand	Mild	SCN10A	18	42
C#CC[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852476927	EF	On-Demand	Mild	SCN2A	17	42
C#CC[C@@H]1CCCN(C(=O)NCc2cccnc2N2CCCC2)C1	ZINC000852476927	EF	On-Demand	Mild	SCN10A	18	42
O=C(NCc1cccnc1N1CCCC1)NCC1SCCS1	ZINC000852476961	EE	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)NCC1SCCS1	ZINC000852476961	EE	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)N1C[C@@H]2[C@H](C1)C2(F)F	ZINC000852476969	DE	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)N1C[C@@H]2[C@H](C1)C2(F)F	ZINC000852476969	DE	On-Demand	Anodyne	EPHX2	15	40
O=C(NCc1cccnc1N1CCCC1)N1C[C@@H]2[C@H](C1)C2(F)F	ZINC000852476969	DE	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)N1C[C@@H]2[C@@H](C1)C2(F)F	ZINC000852476971	DE	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)N1C[C@@H]2[C@@H](C1)C2(F)F	ZINC000852476971	DE	On-Demand	Anodyne	EPHX2	15	40
O=C(NCc1cccnc1N1CCCC1)N1C[C@@H]2[C@@H](C1)C2(F)F	ZINC000852476971	DE	On-Demand	Anodyne	SCN10A	20	45
O=C(NCc1cccnc1N1CCCC1)N1C[C@H]2[C@H](C1)C2(F)F	ZINC000852476973	DE	On-Demand	Anodyne	SCN2A	18	45
O=C(NCc1cccnc1N1CCCC1)N1C[C@H]2[C@H](C1)C2(F)F	ZINC000852476973	DE	On-Demand	Anodyne	EPHX2	15	40
O=C(NCc1cccnc1N1CCCC1)N1C[C@H]2[C@H](C1)C2(F)F	ZINC000852476973	DE	On-Demand	Anodyne	SCN10A	20	45
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852476995	GF	On-Demand	Anodyne	SCN2A	17	41
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852476995	GF	On-Demand	Anodyne	SCN10A	26	41
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852476995	GF	On-Demand	Anodyne	AMP1_PLAFQ	44	37
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852476995	GF	On-Demand	Anodyne	NPFFR1	40	32
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852477001	GF	On-Demand	Anodyne	SCN2A	17	41
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852477001	GF	On-Demand	Anodyne	SCN10A	26	41
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852477001	GF	On-Demand	Anodyne	AMP1_PLAFQ	44	37
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1N1CCCC1	ZINC000852477001	GF	On-Demand	Anodyne	NPFFR1	40	32
O=C1OCC[C@H]1N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852477005	CE	On-Demand	Anodyne	KCNH2	42	41
O=C1OCC[C@@H]1N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852477007	CE	On-Demand	Anodyne	KCNH2	42	41
O[C@H](CN1CCc2nc(-c3ccccc3)sc2C1)c1ccc(F)cc1	ZINC000852477058	FI	On-Demand	Anodyne	SLC6A3	19	43
O[C@@H](CN1CCc2nc(-c3ccccc3)sc2C1)c1ccc(F)cc1	ZINC000852477059	FI	On-Demand	Anodyne	SLC6A3	19	43
CCCCCCCCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC000852477113	GJ	On-Demand	Mild	FSHR	45	35
CCCCCCCCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852477115	GJ	On-Demand	Mild	FSHR	45	35
CCCCCCCCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852477116	GJ	On-Demand	Mild	FSHR	45	35
O=C(NCc1cccnc1N1CCCC1)NNc1ncc(Br)cn1	ZINC000852477132	GE	On-Demand	Reactive	SCN2A	19	46
O=C(NCc1cccnc1N1CCCC1)NNc1ncc(Br)cn1	ZINC000852477132	GE	On-Demand	Reactive	SCN10A	20	46
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477134	FI	On-Demand	Anodyne	CHRM1	15	44
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477134	FI	On-Demand	Anodyne	SLC6A3	23	47
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477134	FI	On-Demand	Anodyne	KCNH2	44	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477134	FI	On-Demand	Anodyne	ACHP_LYMST	20	44
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477134	FI	On-Demand	Anodyne	Q8WSF8_APLCA	30	44
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477135	FI	On-Demand	Anodyne	CHRM1	15	44
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477135	FI	On-Demand	Anodyne	SLC6A3	23	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477135	FI	On-Demand	Anodyne	KCNH2	44	43
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477135	FI	On-Demand	Anodyne	ACHP_LYMST	20	44
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cc1F	ZINC000852477135	FI	On-Demand	Anodyne	Q8WSF8_APLCA	30	44
CCc1nc(CNC(=O)NCc2cccnc2N2CCCC2)co1	ZINC000852477160	EE	On-Demand	Anodyne	SCN2A	17	42
CCc1nc(CNC(=O)NCc2cccnc2N2CCCC2)co1	ZINC000852477160	EE	On-Demand	Anodyne	SCN10A	19	44
CC(=O)c1ccc(N2CCN(C(=O)CN3C[C@@H](C)C(=O)[C@H](C)C3)CC2)c(F)c1	ZINC000852477205	GD	On-Demand	Anodyne	MAPK1	18	46
CC(=O)c1ccc(N2CCN(C(=O)CN3C[C@@H](C)C(=O)[C@H](C)C3)CC2)c(F)c1	ZINC000852477205	GD	On-Demand	Anodyne	SLC6A9	23	47
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	CHRM2	15	47
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	CHRM1	24	47
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	SLC6A3	37	65
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	KCNH2	48	47
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	CHRM4	31	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	CHRM5	37	41
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	SLC18A3	16	65
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	GLRA1	42	32
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	ACHP_LYMST	37	66
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477211	DH	On-Demand	Anodyne	Q8WSF8_APLCA	49	66
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	CHRM2	15	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	CHRM1	24	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	SLC6A3	37	65
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	KCNH2	48	47
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	CHRM4	31	43
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	CHRM5	37	41
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	SLC18A3	16	65
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	GLRA1	42	32
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	ACHP_LYMST	37	66
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852477214	DH	On-Demand	Anodyne	Q8WSF8_APLCA	49	66
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477219	EH	On-Demand	Anodyne	CHRM1	19	51
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477219	EH	On-Demand	Anodyne	SLC6A3	31	52
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477219	EH	On-Demand	Anodyne	KCNH2	47	46
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477219	EH	On-Demand	Anodyne	ACHP_LYMST	26	54
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477219	EH	On-Demand	Anodyne	Q8WSF8_APLCA	39	54
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477221	EH	On-Demand	Anodyne	CHRM1	19	51
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477221	EH	On-Demand	Anodyne	SLC6A3	31	52
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477221	EH	On-Demand	Anodyne	KCNH2	47	46
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477221	EH	On-Demand	Anodyne	ACHP_LYMST	26	54
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccc(F)c1	ZINC000852477221	EH	On-Demand	Anodyne	Q8WSF8_APLCA	39	54
N#CCCNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852477235	DE	On-Demand	Mild	KCNH2	49	56
N#CCCNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852477235	DE	On-Demand	Mild	ACHP_LYMST	26	40
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2cscn2)cc1	ZINC000852477236	DH	On-Demand	Anodyne	KCNH2	46	46
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2cscn2)cc1	ZINC000852477236	DH	On-Demand	Anodyne	SCN5A	47	40
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2cscn2)cc1	ZINC000852477236	DH	On-Demand	Anodyne	ACHP_LYMST	26	41
O=C1NC2(CCO1)CN(C(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852477237	ED	On-Demand	Anodyne	SCN2A	17	42
O=C1NC2(CCO1)CN(C(=O)NCc1cccnc1N1CCCC1)C2	ZINC000852477237	ED	On-Demand	Anodyne	SCN10A	19	42
O=C(N1CCC[C@@H]([C@H]2CCCCN2C[C@@H]2C[C@H]2c2ccccc2)C1)C(F)(F)F	ZINC000852477397	GI	On-Demand	Anodyne	PREP	18	41
O=C(N1CCC[C@@H]([C@@H]2CCCCN2C[C@@H]2C[C@H]2c2ccccc2)C1)C(F)(F)F	ZINC000852477398	GI	On-Demand	Anodyne	PREP	18	41
O=C(N1CCC[C@H]([C@H]2CCCCN2C[C@@H]2C[C@H]2c2ccccc2)C1)C(F)(F)F	ZINC000852477399	GI	On-Demand	Anodyne	PREP	18	41
O=C(N1CCC[C@H]([C@@H]2CCCCN2C[C@@H]2C[C@H]2c2ccccc2)C1)C(F)(F)F	ZINC000852477400	GI	On-Demand	Anodyne	PREP	18	41
NS(=O)(=O)c1ccc(CCN2CCc3nc(-c4ccccc4)sc3C2)cc1	ZINC000852477492	GG	On-Demand	Anodyne	CA2	45	43
NS(=O)(=O)c1ccc(CCN2CCc3nc(-c4ccccc4)sc3C2)cc1	ZINC000852477492	GG	On-Demand	Anodyne	CA1	43	43
NS(=O)(=O)c1ccc(CCN2CCc3nc(-c4ccccc4)sc3C2)cc1	ZINC000852477492	GG	On-Demand	Anodyne	SIGMAR1	17	42
NS(=O)(=O)c1ccc(CCN2CCc3nc(-c4ccccc4)sc3C2)cc1	ZINC000852477492	GG	On-Demand	Anodyne	CA4	29	40
NS(=O)(=O)c1ccc(CCN2CCc3nc(-c4ccccc4)sc3C2)cc1	ZINC000852477492	GG	On-Demand	Anodyne	CA12	30	43
NS(=O)(=O)c1ccc(CCN2CCc3nc(-c4ccccc4)sc3C2)cc1	ZINC000852477492	GG	On-Demand	Anodyne	CA9	44	43
CCCCCCCCCNC(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC000852477500	DG	On-Demand	Mild	EPHX2	20	46
CCCCCCCCCNC(=O)N[C@H]1C[C@H](C)n2ncnc21	ZINC000852477500	DG	On-Demand	Mild	ASAH1	87	36
CCCCCCCCCNC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852477501	DG	On-Demand	Mild	EPHX2	20	46
CCCCCCCCCNC(=O)N[C@H]1C[C@@H](C)n2ncnc21	ZINC000852477501	DG	On-Demand	Mild	ASAH1	87	36
CCCCCCCCCNC(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC000852477502	DG	On-Demand	Mild	EPHX2	20	46
CCCCCCCCCNC(=O)N[C@@H]1C[C@H](C)n2ncnc21	ZINC000852477502	DG	On-Demand	Mild	ASAH1	87	36
CCCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852477503	DG	On-Demand	Mild	EPHX2	20	46
CCCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)n2ncnc21	ZINC000852477503	DG	On-Demand	Mild	ASAH1	87	36
N#Cc1ccc(OCCCN2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1	ZINC000852477527	GH	On-Demand	Mild	HRH3	46	53
N#Cc1ccc(OCCCN2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1	ZINC000852477527	GH	On-Demand	Mild	MEN1	50	44
N#Cc1ccc(OCCCN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1	ZINC000852477528	GH	On-Demand	Mild	HRH3	46	53
N#Cc1ccc(OCCCN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1	ZINC000852477528	GH	On-Demand	Mild	MEN1	50	44
COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H](C)n4ncnc43)CC2)cc1	ZINC000852477639	FE	On-Demand	Clean	NPBWR1	40	31
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H](C)n4ncnc43)CC2)cc1	ZINC000852477640	FE	On-Demand	Clean	NPBWR1	40	31
COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H](C)n4ncnc43)CC2)cc1	ZINC000852477641	FE	On-Demand	Clean	NPBWR1	40	31
COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H](C)n4ncnc43)CC2)cc1	ZINC000852477642	FE	On-Demand	Clean	NPBWR1	40	31
C#CCNC(=O)CN1CCC[C@H]1c1nccc(C(F)(F)F)n1	ZINC000852477690	DD	On-Demand	Mild	GPBAR1	15	42
C#CCNC(=O)CN1CCC[C@@H]1c1nccc(C(F)(F)F)n1	ZINC000852477691	DD	On-Demand	Mild	GPBAR1	15	42
C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2ncnn21	ZINC000852477771	FF	On-Demand	Anodyne	MAPT	15	44
Fc1cccc(OCCN2CCC[C@H]2c2nccc(C(F)(F)F)n2)c1	ZINC000852477774	FH	On-Demand	Anodyne	CHRNA10	52	44
Fc1cccc(OCCN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c1	ZINC000852477775	FH	On-Demand	Anodyne	CHRNA10	52	44
C[C@H]1C[C@H](NC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c2ncnn21	ZINC000852477830	GE	On-Demand	Anodyne	CACNA1I	47	34
C[C@H]1C[C@H](NC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c2ncnn21	ZINC000852477830	GE	On-Demand	Anodyne	GPR119	48	41
Cn1nccc1CCN1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852477964	FF	On-Demand	Anodyne	HRH3	20	41
Cn1nccc1CCN1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852477965	FF	On-Demand	Anodyne	HRH3	20	41
Cn1nccc1CCN1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852477966	FF	On-Demand	Anodyne	HRH3	20	41
Cn1nccc1CCN1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1	ZINC000852477967	FF	On-Demand	Anodyne	HRH3	20	41
FC(F)(F)c1ccnc([C@H]2CCCN2Cc2ccc(Cl)nc2)n1	ZINC000852478287	EH	On-Demand	Anodyne	Q8WSF8_APLCA	35	40
FC(F)(F)c1ccnc([C@H]2CCCN2Cc2ccc(Cl)nc2)n1	ZINC000852478287	EH	On-Demand	Anodyne	NACHRBETA2	39	40
FC(F)(F)c1ccnc([C@@H]2CCCN2Cc2ccc(Cl)nc2)n1	ZINC000852478288	EH	On-Demand	Anodyne	Q8WSF8_APLCA	35	40
FC(F)(F)c1ccnc([C@@H]2CCCN2Cc2ccc(Cl)nc2)n1	ZINC000852478288	EH	On-Demand	Anodyne	NACHRBETA2	39	40
CC(C)(C)OC(=O)N1CC(CN2CCC[C@@H]2c2nccc(C(F)(F)F)n2)C1	ZINC000852478363	GG	On-Demand	Anodyne	GPR119	45	37
CC(C)(C)OC(=O)N1CC(CN2CCC[C@H]2c2nccc(C(F)(F)F)n2)C1	ZINC000852478364	GG	On-Demand	Anodyne	GPR119	45	37
O=C(N1CCC[C@@H]([C@@H]2CCCCN2CC#Cc2ccccc2)C1)C(F)(F)F	ZINC000852478663	GH	On-Demand	Mild	RBP4	41	34
O=C(N1CCC[C@H]([C@@H]2CCCCN2CC#Cc2ccccc2)C1)C(F)(F)F	ZINC000852478664	GH	On-Demand	Mild	RBP4	41	34
O=C(N1CCC[C@H]([C@H]2CCCCN2CC#Cc2ccccc2)C1)C(F)(F)F	ZINC000852478665	GH	On-Demand	Mild	RBP4	41	34
O=C(N1CCC[C@@H]([C@H]2CCCCN2CC#Cc2ccccc2)C1)C(F)(F)F	ZINC000852478666	GH	On-Demand	Mild	RBP4	41	34
O=C(N1CCC[C@@H]([C@@H]2CCCCN2C[C@@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852478713	GG	On-Demand	Anodyne	PREP	16	44
O=C(N1CCC[C@@H]([C@H]2CCCCN2C[C@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852478714	GG	On-Demand	Anodyne	PREP	16	44
O=C(N1CCC[C@@H]([C@H]2CCCCN2C[C@@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852478715	GG	On-Demand	Anodyne	PREP	16	44
O=C(N1CCC[C@@H]([C@@H]2CCCCN2C[C@H](O)c2ccccc2)C1)C(F)(F)F	ZINC000852478716	GG	On-Demand	Anodyne	PREP	16	44
N#Cc1ccc(CCN2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	ZINC000852478883	GH	On-Demand	Mild	HRH3	31	43
N#Cc1ccc(CCN2CCCC[C@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	ZINC000852478883	GH	On-Demand	Mild	GPBAR1	27	40
N#Cc1ccc(CCN2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	ZINC000852478884	GH	On-Demand	Mild	HRH3	31	43
N#Cc1ccc(CCN2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	ZINC000852478884	GH	On-Demand	Mild	GPBAR1	27	40
N#Cc1ccc(CCN2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	ZINC000852478885	GH	On-Demand	Mild	HRH3	31	43
N#Cc1ccc(CCN2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	ZINC000852478885	GH	On-Demand	Mild	GPBAR1	27	40
N#Cc1ccc(CCN2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	ZINC000852478886	GH	On-Demand	Mild	HRH3	31	43
N#Cc1ccc(CCN2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)cc1	ZINC000852478886	GH	On-Demand	Mild	GPBAR1	27	40
C[C@@H](C#N)N(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	ZINC000852478927	DH	On-Demand	Mild	DHODH	30	44
C[C@@H](C#N)N(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	ZINC000852478927	DH	On-Demand	Mild	LGMN	63	39
C[C@@H](C#N)N(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	ZINC000852478927	DH	On-Demand	Mild	SLC1A1	36	45
C[C@@H](C#N)N(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	ZINC000852478927	DH	On-Demand	Mild	SLC1A2	50	45
C[C@H](C#N)N(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	ZINC000852478928	DH	On-Demand	Mild	DHODH	30	44
C[C@H](C#N)N(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	ZINC000852478928	DH	On-Demand	Mild	LGMN	63	39
C[C@H](C#N)N(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	ZINC000852478928	DH	On-Demand	Mild	SLC1A1	36	45
C[C@H](C#N)N(CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	ZINC000852478928	DH	On-Demand	Mild	SLC1A2	50	45
CCC(C)(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852478930	FE	On-Demand	Anodyne	MME	64	37
CCC(C)(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852478930	FE	On-Demand	Anodyne	CAPN1	57	39
CCC(C)(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852478930	FE	On-Demand	Anodyne	CAPN2	64	36
CCC(C)(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852478930	FE	On-Demand	Anodyne	ACE2	46	34
CCC(C)(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852478930	FE	On-Demand	Anodyne	FPR1	48	41
CCC(C)(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852478930	FE	On-Demand	Anodyne	CTRB_BOVIN	54	31
CCC(C)(C)[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852478930	FE	On-Demand	Anodyne	TMPRSS11D	71	37
C[C@H](C#N)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1	ZINC000852478932	DF	On-Demand	Mild	COLA	18	40
C[C@@H](C#N)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1	ZINC000852478933	DF	On-Demand	Mild	COLA	18	40
CC(=O)c1ccc(N2CCN(C(=O)CN(C3CC3)[C@@H](C)C#N)CC2)c(F)c1	ZINC000852478938	FE	On-Demand	Mild	NPY2R	51	33
CC(=O)c1ccc(N2CCN(C(=O)CN(C3CC3)[C@@H](C)C#N)CC2)c(F)c1	ZINC000852478938	FE	On-Demand	Mild	SLC6A9	25	46
CC(=O)c1ccc(N2CCN(C(=O)CN(C3CC3)[C@H](C)C#N)CC2)c(F)c1	ZINC000852478939	FE	On-Demand	Mild	NPY2R	51	33
CC(=O)c1ccc(N2CCN(C(=O)CN(C3CC3)[C@H](C)C#N)CC2)c(F)c1	ZINC000852478939	FE	On-Demand	Mild	SLC6A9	25	46
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1	ZINC000852478945	FH	On-Demand	Anodyne	EPHX2	24	41
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CC2CCC3(CC2)OCCO3)cc1	ZINC000852478961	FH	On-Demand	Anodyne	KCNH2	41	40
Fc1cccc(-c2nnc(CN3[C@H]4CC[C@H]3CC(Oc3ccccc3)C4)o2)c1	ZINC000852478984	GI	On-Demand	Anodyne	KCNH2	48	48
O=S1(=O)CCC(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC1	ZINC000852478985	EF	On-Demand	Anodyne	KCNH2	46	45
FCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479001	BG	On-Demand	Anodyne	CHRM1	22	42
FCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479001	BG	On-Demand	Anodyne	SLC6A3	27	63
FCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479001	BG	On-Demand	Anodyne	KCNH2	48	51
FCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479001	BG	On-Demand	Anodyne	GLRA1	41	31
FCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479001	BG	On-Demand	Anodyne	ACHP_LYMST	35	44
FCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479001	BG	On-Demand	Anodyne	Q8WSF8_APLCA	31	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1	ZINC000852479005	FI	On-Demand	Anodyne	SIRT3	15	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1	ZINC000852479005	FI	On-Demand	Anodyne	SIRT2	21	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1	ZINC000852479005	FI	On-Demand	Anodyne	SIRT1	19	41
BrC1(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC1	ZINC000852479011	EH	On-Demand	Anodyne	KCNH2	46	44
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc(Cl)c1	ZINC000852479026	DG	On-Demand	Reactive	CTSL	20	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc(Cl)c1	ZINC000852479026	DG	On-Demand	Reactive	CTSV	26	42
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1O	ZINC000852479028	CG	On-Demand	Clean	MME	51	34
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1O	ZINC000852479028	CG	On-Demand	Clean	ANPEP	35	50
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1O	ZINC000852479028	CG	On-Demand	Clean	ACE2	50	34
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccccc1O	ZINC000852479028	CG	On-Demand	Clean	FPR1	44	36
Cc1ccccc1[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479054	EI	On-Demand	Anodyne	CHRM1	17	47
Cc1ccccc1[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479054	EI	On-Demand	Anodyne	SLC6A3	18	55
Cc1ccccc1[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479054	EI	On-Demand	Anodyne	KCNH2	47	47
Cc1ccccc1[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479054	EI	On-Demand	Anodyne	GLRA1	41	32
Cc1ccccc1[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479054	EI	On-Demand	Anodyne	ACHP_LYMST	37	47
Cc1ccccc1[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479054	EI	On-Demand	Anodyne	Q8WSF8_APLCA	36	47
Cc1ccccc1[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479055	EI	On-Demand	Anodyne	CHRM1	17	47
Cc1ccccc1[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479055	EI	On-Demand	Anodyne	SLC6A3	18	55
Cc1ccccc1[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479055	EI	On-Demand	Anodyne	KCNH2	47	47
Cc1ccccc1[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479055	EI	On-Demand	Anodyne	GLRA1	41	32
Cc1ccccc1[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479055	EI	On-Demand	Anodyne	ACHP_LYMST	37	47
Cc1ccccc1[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479055	EI	On-Demand	Anodyne	Q8WSF8_APLCA	36	47
FC1(F)CC(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852479071	DI	On-Demand	Anodyne	CHRM1	15	42
FC1(F)CC(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852479071	DI	On-Demand	Anodyne	SLC6A3	15	51
FC1(F)CC(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C1	ZINC000852479071	DI	On-Demand	Anodyne	KCNH2	44	44
NC(=O)c1ccccc1NC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479072	GF	On-Demand	Anodyne	KCNH2	56	67
C[C@H](C#N)N(Cc1cccc([N+](=O)[O-])c1Br)C1CC1	ZINC000852479081	DG	On-Demand	Mild	COLA	110	35
C[C@@H](C#N)N(Cc1cccc([N+](=O)[O-])c1Br)C1CC1	ZINC000852479082	DG	On-Demand	Mild	COLA	110	35
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852479083	EG	On-Demand	Anodyne	ADRA1A	17	40
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852479083	EG	On-Demand	Anodyne	GHRHR	46	33
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852479085	EG	On-Demand	Anodyne	ADRA1A	17	40
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852479085	EG	On-Demand	Anodyne	GHRHR	46	33
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852479088	GG	On-Demand	Anodyne	GPR119	42	40
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852479090	GG	On-Demand	Anodyne	GPR119	42	40
O=C1OCC[C@@H]1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479092	DG	On-Demand	Anodyne	KCNH2	46	47
O=C1OCC[C@@H]1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479092	DG	On-Demand	Anodyne	ACHP_LYMST	28	40
O=C1OCC[C@@H]1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479092	DG	On-Demand	Anodyne	Q8WSF8_APLCA	28	40
O=C1OCC[C@H]1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479102	DG	On-Demand	Anodyne	KCNH2	46	47
O=C1OCC[C@H]1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479102	DG	On-Demand	Anodyne	ACHP_LYMST	28	40
O=C1OCC[C@H]1CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479102	DG	On-Demand	Anodyne	Q8WSF8_APLCA	28	40
COCCN(CCF)CC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852479117	FD	On-Demand	Anodyne	DRD4	29	52
COCCN(CCF)CC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852479117	FD	On-Demand	Anodyne	SIGMAR1	21	48
COCCN(CCF)CC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852479117	FD	On-Demand	Anodyne	SSTR5	42	38
COCCN(CCF)CC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852479117	FD	On-Demand	Anodyne	CCR3	19	41
COCCN(CCF)CC(=O)NC1CCN(Cc2ccccc2C)CC1	ZINC000852479117	FD	On-Demand	Anodyne	MCHR1	35	41
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	GRIN2B	58	51
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	ELANE	15	43
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	CTSB	33	40
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	CTSK	26	41
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	CTSL	22	41
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	PREP	29	43
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	LGMN	77	45
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	CTSS	29	40
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	TGM2	33	43
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	F13A1	37	43
C[C@@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479141	EG	On-Demand	Mild	SLC12A5	58	35
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	GRIN2B	58	51
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	ELANE	15	43
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	CTSB	33	40
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	CTSK	26	41
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	CTSL	22	41
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	PREP	29	43
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	LGMN	77	45
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	CTSS	29	40
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	TGM2	33	43
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	F13A1	37	43
C[C@H](C#N)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1	ZINC000852479146	EG	On-Demand	Mild	SLC12A5	58	35
N#CCOc1ccc(Cl)cc1CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479149	GJ	On-Demand	Mild	KCNH2	44	46
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	ACE	40	40
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	MME	107	41
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	ANPEP	66	37
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	FCER2	52	35
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	CTSB	61	39
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	PAPA1_CARPA	76	39
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	CYSP_TRYCR	58	37
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	CTSL	46	41
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	CPA1	30	40
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	NPFFR2	41	33
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	CAPNS1	67	36
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	HLA-DRB1	65	37
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	CAPN1	91	40
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	CAPN2	101	38
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	ACE2	67	40
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	PLAU	49	35
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	FPR1	72	39
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	CTRB_BOVIN	49	36
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	NPR	65	38
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	NPFFR1	56	33
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852479173	EG	On-Demand	Anodyne	PDS	43	33
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	ACE	40	40
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	MME	107	41
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	ANPEP	66	37
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	FCER2	52	35
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	CTSB	61	39
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	PAPA1_CARPA	76	39
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	CYSP_TRYCR	58	37
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	CTSL	46	41
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	CPA1	30	40
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	NPFFR2	41	33
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	CAPNS1	67	36
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	HLA-DRB1	65	37
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	CAPN1	91	40
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	CAPN2	101	38
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	ACE2	67	40
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	PLAU	49	35
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	FPR1	72	39
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	CTRB_BOVIN	49	36
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	NPR	65	38
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	NPFFR1	56	33
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852479176	EG	On-Demand	Anodyne	PDS	43	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	ZINC000852479180	FJ	On-Demand	Anodyne	CACNA1H	44	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	ZINC000852479180	FJ	On-Demand	Anodyne	CCR1	56	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	ZINC000852479183	FJ	On-Demand	Anodyne	CACNA1H	44	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	ZINC000852479183	FJ	On-Demand	Anodyne	CCR1	56	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000852479194	EH	On-Demand	Anodyne	CACNA1H	40	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000852479196	EH	On-Demand	Anodyne	CACNA1H	40	33
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1ccc2nc(O)[nH]c2c1	ZINC000852479197	GG	On-Demand	Anodyne	KCNH2	47	60
C[C@H](C#N)N(Cc1ccc(Cl)nc1)C1CC1	ZINC000852479209	BF	On-Demand	Mild	Q8WSF8_APLCA	34	45
C[C@H](C#N)N(Cc1ccc(Cl)nc1)C1CC1	ZINC000852479209	BF	On-Demand	Mild	NACHRBETA2	39	45
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	OPRM1	18	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	MME	87	48
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	ANPEP	52	49
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	FCER2	43	34
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	CTSB	32	41
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	PAPA1_CARPA	49	41
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	CTSK	19	41
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	CTSL	20	41
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	TACR3	42	38
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	CAPNS1	43	32
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	MMP3	23	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	MMP8	18	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	FURIN	44	35
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	CAPN1	54	37
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	CAPN2	72	37
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	ACE2	51	36
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	MMP1	20	41
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	FPR1	65	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	CTRB_BOVIN	53	31
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	NPR	51	34
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	AMP1_PLAFQ	42	38
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)NCc1ccccc1	ZINC000852479210	DE	On-Demand	Anodyne	PDS	56	39
C[C@@H](C#N)N(Cc1ccc(Cl)nc1)C1CC1	ZINC000852479212	BF	On-Demand	Mild	Q8WSF8_APLCA	34	45
C[C@@H](C#N)N(Cc1ccc(Cl)nc1)C1CC1	ZINC000852479212	BF	On-Demand	Mild	NACHRBETA2	39	45
COCCN(CCF)CC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000852479216	EC	On-Demand	Anodyne	CA2	17	50
COCCN(CCF)CC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000852479216	EC	On-Demand	Anodyne	CA1	15	50
COCCN(CCF)CC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000852479216	EC	On-Demand	Anodyne	CA4	26	50
COCCN(CCF)CC(=O)NCc1ccc(S(C)(=O)=O)cc1	ZINC000852479216	EC	On-Demand	Anodyne	CA9	16	43
O=C1[C@H](N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CCN1C1CCOCC1	ZINC000852479238	FF	On-Demand	Anodyne	KCNH2	38	40
O=C1[C@@H](N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CCN1C1CCOCC1	ZINC000852479240	FF	On-Demand	Anodyne	KCNH2	38	40
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NCc1ccccn1	ZINC000852479252	FF	On-Demand	Anodyne	KCNH2	46	52
COCCN(CCF)Cc1cccc(OCc2ccccn2)c1	ZINC000852479255	DG	On-Demand	Anodyne	SQLE	49	34
COCCN(CCF)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-]	ZINC000852479258	DD	On-Demand	Bother	COLA	74	31
O=[N+]([O-])c1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1F	ZINC000852479286	FI	On-Demand	Bother	KCNH2	48	50
O=[N+]([O-])c1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1F	ZINC000852479286	FI	On-Demand	Bother	CCR3	18	41
NS(=O)(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479297	DD	On-Demand	Anodyne	SLC6A3	21	55
NS(=O)(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479297	DD	On-Demand	Anodyne	KCNH2	53	55
NS(=O)(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479297	DD	On-Demand	Anodyne	GLRA1	41	32
NS(=O)(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479297	DD	On-Demand	Anodyne	ACHP_LYMST	31	45
NS(=O)(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479297	DD	On-Demand	Anodyne	Q8WSF8_APLCA	32	45
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2cnon2)cc1	ZINC000852479300	CF	On-Demand	Anodyne	KCNH2	45	46
COCCN(CCF)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000852479311	ED	On-Demand	Anodyne	DRD4	28	40
COCCN(CCF)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000852479313	ED	On-Demand	Anodyne	DRD4	28	40
COCCN(CCF)Cc1cccc(OC(F)(F)F)c1	ZINC000852479320	CG	On-Demand	Anodyne	SQLE	58	31
COCCN(CCF)CCC(=O)N1CCCc2ccccc21	ZINC000852479333	DE	On-Demand	Anodyne	AVPR2	40	40
COCCN(CCF)C[C@@H]1CCN(C(=O)c2ccccc2)C1	ZINC000852479345	DE	On-Demand	Anodyne	SLC18A3	15	40
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852479346	CG	On-Demand	Anodyne	P2RY12	44	32
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852479346	CG	On-Demand	Anodyne	GRIN2B	18	41
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852479346	CG	On-Demand	Anodyne	PDE7A	20	40
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852479346	CG	On-Demand	Anodyne	BIRC2	42	40
COCCN(CCF)C[C@H]1CCN(C(=O)c2ccccc2)C1	ZINC000852479347	DE	On-Demand	Anodyne	SLC18A3	15	40
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852479354	CG	On-Demand	Anodyne	P2RY12	44	32
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852479354	CG	On-Demand	Anodyne	GRIN2B	18	41
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852479354	CG	On-Demand	Anodyne	PDE7A	20	40
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852479354	CG	On-Demand	Anodyne	BIRC2	42	40
COCCN(CCF)Cc1ccccc1[N+](=O)[O-]	ZINC000852479363	CE	On-Demand	Bother	COLA	122	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1C	ZINC000852479395	DF	On-Demand	Reactive	ANPEP	21	44
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1C	ZINC000852479395	DF	On-Demand	Reactive	PAPA1_CARPA	45	38
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1C	ZINC000852479395	DF	On-Demand	Reactive	ACE2	40	32
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852479402	FF	On-Demand	Anodyne	PRSS2	74	31
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852479402	FF	On-Demand	Anodyne	GPR119	34	40
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000852479409	FG	On-Demand	Clean	NPY2R	50	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852479411	EH	On-Demand	Anodyne	CTSK	20	45
C[C@@H](CBr)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479413	EI	On-Demand	Reactive	CHRM1	17	47
C[C@@H](CBr)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479413	EI	On-Demand	Reactive	SLC6A3	19	59
C[C@@H](CBr)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479413	EI	On-Demand	Reactive	KCNH2	45	44
C[C@@H](CBr)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479413	EI	On-Demand	Reactive	ACHP_LYMST	31	42
C[C@@H](CBr)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479413	EI	On-Demand	Reactive	Q8WSF8_APLCA	30	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000852479414	EH	On-Demand	Anodyne	CTSK	20	45
C[C@@H](C#N)N(CC(=O)Nc1ccccc1C(N)=O)C1CC1	ZINC000852479431	CD	On-Demand	Mild	LGMN	65	35
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCCO2)cc1	ZINC000852479432	DG	On-Demand	Anodyne	SLC6A3	15	54
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCCO2)cc1	ZINC000852479432	DG	On-Demand	Anodyne	KCNH2	50	51
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCCO2)cc1	ZINC000852479432	DG	On-Demand	Anodyne	GLRA1	41	32
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCCO2)cc1	ZINC000852479432	DG	On-Demand	Anodyne	ACHP_LYMST	30	44
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCCO2)cc1	ZINC000852479432	DG	On-Demand	Anodyne	Q8WSF8_APLCA	31	44
C[C@H](C#N)N(CC(=O)Nc1ccccc1C(N)=O)C1CC1	ZINC000852479433	CD	On-Demand	Mild	LGMN	65	35
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479450	GH	On-Demand	Anodyne	CHRM1	20	40
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479450	GH	On-Demand	Anodyne	SLC6A3	22	51
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479450	GH	On-Demand	Anodyne	KCNH2	46	44
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479450	GH	On-Demand	Anodyne	GLRA1	42	32
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479450	GH	On-Demand	Anodyne	ACHP_LYMST	29	45
CCOP(=O)(OCC)[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479450	GH	On-Demand	Anodyne	Q8WSF8_APLCA	36	45
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@](C)(O)c1ccccc1	ZINC000852479453	CG	On-Demand	Anodyne	ACE2	43	34
CCC(C)(C)[C@@H](C)NC(=O)NC[C@](C)(O)c1ccccc1	ZINC000852479454	CG	On-Demand	Anodyne	ACE2	43	34
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479455	GH	On-Demand	Anodyne	CHRM1	20	40
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479455	GH	On-Demand	Anodyne	SLC6A3	22	51
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479455	GH	On-Demand	Anodyne	KCNH2	46	44
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479455	GH	On-Demand	Anodyne	GLRA1	42	32
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479455	GH	On-Demand	Anodyne	ACHP_LYMST	29	45
CCOP(=O)(OCC)[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479455	GH	On-Demand	Anodyne	Q8WSF8_APLCA	36	45
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	ZINC000852479460	FE	On-Demand	Reactive	CTSK	15	42
O=C1O[C@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC12CCC2	ZINC000852479461	EH	On-Demand	Anodyne	KCNH2	41	39
O=C1O[C@@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC12CCC2	ZINC000852479463	EH	On-Demand	Anodyne	KCNH2	41	39
O=C1CC[C@@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)O1	ZINC000852479475	DF	On-Demand	Anodyne	KCNH2	45	43
O=C1CC[C@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)O1	ZINC000852479477	DF	On-Demand	Anodyne	KCNH2	45	43
C[C@H](C#N)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1	ZINC000852479480	CE	On-Demand	Mild	COLA	42	38
C[C@@H](C#N)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1	ZINC000852479482	CE	On-Demand	Mild	COLA	42	38
CCC(C)(C)[C@@H](C)NC(=O)N(C)C[C@](C)(O)c1ccccc1	ZINC000852479492	DG	On-Demand	Anodyne	AMY2	55	31
CCC(C)(C)[C@@H](C)NC(=O)N(C)C[C@@](C)(O)c1ccccc1	ZINC000852479495	DG	On-Demand	Anodyne	AMY2	55	31
CC(C)(C)OC(=O)NCC[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479498	GG	On-Demand	Anodyne	KCNH2	44	43
CC(C)(C)OC(=O)NCC[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479498	GG	On-Demand	Anodyne	HTR4	16	40
CC(C)(C)OC(=O)NCC[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479498	GG	On-Demand	Anodyne	GLRA1	41	31
CC(C)(C)OC(=O)NCC[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479498	GG	On-Demand	Anodyne	ACHP_LYMST	22	42
CC(C)(C)OC(=O)NCC[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479498	GG	On-Demand	Anodyne	Q8WSF8_APLCA	34	42
CC(C)(C)OC(=O)NCC[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479499	GG	On-Demand	Anodyne	KCNH2	44	43
CC(C)(C)OC(=O)NCC[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479499	GG	On-Demand	Anodyne	HTR4	16	40
CC(C)(C)OC(=O)NCC[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479499	GG	On-Demand	Anodyne	GLRA1	41	31
CC(C)(C)OC(=O)NCC[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479499	GG	On-Demand	Anodyne	ACHP_LYMST	22	42
CC(C)(C)OC(=O)NCC[C@@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852479499	GG	On-Demand	Anodyne	Q8WSF8_APLCA	34	42
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852479500	EG	On-Demand	Anodyne	EPHX2	32	48
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1	ZINC000852479523	FH	On-Demand	Anodyne	MMP13	20	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1	ZINC000852479523	FH	On-Demand	Anodyne	MMP1	20	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1	ZINC000852479524	FH	On-Demand	Anodyne	MMP13	20	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1	ZINC000852479524	FH	On-Demand	Anodyne	MMP1	20	41
N#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852479538	EI	On-Demand	Mild	KCNH2	49	55
N#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852479538	EI	On-Demand	Mild	LTA4H	23	43
N#CCOc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852479538	EI	On-Demand	Mild	ACHP_LYMST	23	44
O=C1O[C@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CN1c1ccccc1	ZINC000852479544	GI	On-Demand	Anodyne	KCNH2	43	41
O=C1O[C@@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CN1c1ccccc1	ZINC000852479547	GI	On-Demand	Anodyne	KCNH2	43	41
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000852479554	FG	On-Demand	Clean	NTSR1	46	32
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000852479554	FG	On-Demand	Clean	TMPRSS11D	44	34
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000852479558	FG	On-Demand	Clean	NTSR1	46	32
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000852479558	FG	On-Demand	Clean	TMPRSS11D	44	34
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	CTSB	44	40
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	CTSK	26	41
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	CTSL	24	41
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	PREP	18	40
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	CAPNS1	42	35
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	LGMN	78	43
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	CTSS	22	40
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	CAPN2	41	32
C[C@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479574	CD	On-Demand	Mild	NPR	53	33
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	CTSB	44	40
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	CTSK	26	41
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	CTSL	24	41
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	PREP	18	40
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	CAPNS1	42	35
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	LGMN	78	43
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	CTSS	22	40
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	CAPN2	41	32
C[C@@H](C#N)N(CC(=O)NOCc1ccccc1)C1CC1	ZINC000852479578	CD	On-Demand	Mild	NPR	53	33
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1OC	ZINC000852479588	DE	On-Demand	Reactive	PAPA1_CARPA	47	37
C[C@@H](C#N)N(Cc1nc2ccccc2[nH]1)C1CC1	ZINC000852479719	BE	On-Demand	Mild	CXCR4	36	43
C[C@H](C#N)N(Cc1nc2ccccc2[nH]1)C1CC1	ZINC000852479720	BE	On-Demand	Mild	CXCR4	36	43
C[C@@H](C#N)N(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000852479778	EC	On-Demand	Reactive	CACNA1D	58	33
C[C@H](C#N)N(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	ZINC000852479779	EC	On-Demand	Reactive	CACNA1D	58	33
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1OC	ZINC000852479782	DF	On-Demand	Anodyne	PAPA1_CARPA	44	37
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1OC	ZINC000852479782	DF	On-Demand	Anodyne	FPR1	44	34
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1OC	ZINC000852479783	DF	On-Demand	Anodyne	PAPA1_CARPA	44	37
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1OC	ZINC000852479783	DF	On-Demand	Anodyne	FPR1	44	34
C[C@H](C#N)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000852479784	CG	On-Demand	Mild	NOS2	15	55
C[C@H](C#N)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000852479784	CG	On-Demand	Mild	NOS3	19	55
C[C@@H](C#N)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000852479785	CG	On-Demand	Mild	NOS2	15	55
C[C@@H](C#N)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000852479785	CG	On-Demand	Mild	NOS3	19	55
CCC(C)(C)[C@@H](C)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000852479788	CE	On-Demand	Mild	DPP4	18	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000852479789	CE	On-Demand	Mild	DPP4	18	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852479839	EF	On-Demand	Anodyne	ADRB2	28	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852479839	EF	On-Demand	Anodyne	ADRB1	37	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852479839	EF	On-Demand	Anodyne	PDS	72	44
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852479841	EF	On-Demand	Anodyne	ADRB2	28	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852479841	EF	On-Demand	Anodyne	ADRB1	37	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852479841	EF	On-Demand	Anodyne	PDS	72	44
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1ccc(Cl)cc1	ZINC000852479847	EG	On-Demand	Reactive	AVPR1A	33	47
C[C@@H](C#N)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000852479865	EE	On-Demand	Mild	MTOR	67	39
C[C@H](C#N)N(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000852479866	EE	On-Demand	Mild	MTOR	67	39
CCC(C)(C)[C@@H](C)NC(=O)NCCNc1ncccc1C#N	ZINC000852479867	DE	On-Demand	Mild	ADRB1	41	32
COCCN(CCF)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852479909	ED	On-Demand	Anodyne	GPR119	26	40
COCCN(CCF)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852479911	ED	On-Demand	Anodyne	GPR119	26	40
COCCN(CCF)CCc1c(C)nc2ccccn2c1=O	ZINC000852479963	DD	On-Demand	Anodyne	ADRA2A	23	43
COCCN(CCF)CCc1c(C)nc2ccccn2c1=O	ZINC000852479963	DD	On-Demand	Anodyne	ADRA2B	27	43
C[C@@H](C#N)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1	ZINC000852479970	EE	On-Demand	Mild	VIPR1	26	41
C[C@H](C#N)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1	ZINC000852479971	EE	On-Demand	Mild	VIPR1	26	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852479986	FE	On-Demand	Reactive	CA2	21	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852479986	FE	On-Demand	Reactive	CA1	27	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852479986	FE	On-Demand	Reactive	CA9	20	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852479986	FE	On-Demand	Reactive	MTCA1	40	38
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852479986	FE	On-Demand	Reactive	P96878_MYCTU	52	39
CCC(C)(C)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852479993	EG	On-Demand	Clean	STAT6	46	32
C[C@H](C#N)N(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1	ZINC000852479996	DD	On-Demand	Mild	CTSF	53	36
C[C@H](C#N)N(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1	ZINC000852479998	DD	On-Demand	Mild	CTSF	53	36
C[C@@H](C#N)N(C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1	ZINC000852480000	DD	On-Demand	Mild	CTSF	53	36
C[C@@H](C#N)N(C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1	ZINC000852480002	DD	On-Demand	Mild	CTSF	53	36
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1	ZINC000852480017	FD	On-Demand	Reactive	PDE4C	41	35
CCC(C)(C)[C@@H](C)NC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852480032	EG	On-Demand	Anodyne	TRPV1	16	45
CCC(C)(C)[C@@H](C)NC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852480032	EG	On-Demand	Anodyne	PRKCQ	42	32
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000852480033	ED	On-Demand	Mild	PIK3CA	35	40
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000852480033	ED	On-Demand	Mild	MTOR	75	40
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000852480033	ED	On-Demand	Mild	PIK3CG	27	40
COCCN(CCF)C[C@@H](O)c1cccnc1	ZINC000852480034	BD	On-Demand	Anodyne	ADRB3	21	42
COCCN(CCF)C[C@@H](O)c1cccnc1	ZINC000852480034	BD	On-Demand	Anodyne	CYP51A1	20	49
COCCN(CCF)C[C@H](O)c1cccnc1	ZINC000852480035	BD	On-Demand	Anodyne	ADRB3	21	42
COCCN(CCF)C[C@H](O)c1cccnc1	ZINC000852480035	BD	On-Demand	Anodyne	CYP51A1	20	49
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000852480039	ED	On-Demand	Mild	PIK3CA	35	40
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000852480039	ED	On-Demand	Mild	MTOR	75	40
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1	ZINC000852480039	ED	On-Demand	Mild	PIK3CG	27	40
CC[C@@H](C)c1ccc(NC(=O)CN(C2CC2)[C@@H](C)C#N)cc1	ZINC000852480043	CH	On-Demand	Mild	SCN2A	18	44
CC[C@@H](C)c1ccc(NC(=O)CN(C2CC2)[C@H](C)C#N)cc1	ZINC000852480048	CH	On-Demand	Mild	SCN2A	18	44
C[C@@H](C#N)N(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CC1	ZINC000852480103	ED	On-Demand	Mild	LGMN	69	34
C[C@H](C#N)N(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CC1	ZINC000852480104	ED	On-Demand	Mild	LGMN	69	34
C[C@H](C#N)N(C[C@@H](O)c1ccccc1)C1CC1	ZINC000852480111	BE	On-Demand	Mild	AOC3	18	45
C[C@@H](C#N)N(C[C@H](O)c1ccccc1)C1CC1	ZINC000852480112	BE	On-Demand	Mild	AOC3	18	45
C[C@H](C#N)N(C[C@H](O)c1ccccc1)C1CC1	ZINC000852480113	BE	On-Demand	Mild	AOC3	18	45
C[C@@H](C#N)N(C[C@@H](O)c1ccccc1)C1CC1	ZINC000852480114	BE	On-Demand	Mild	AOC3	18	45
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480133	DG	On-Demand	Reactive	MME	56	39
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480133	DG	On-Demand	Reactive	KCNQ2	40	39
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480133	DG	On-Demand	Reactive	PAPA1_CARPA	57	40
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480133	DG	On-Demand	Reactive	CTSK	17	40
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480133	DG	On-Demand	Reactive	CAPN2	59	35
CC[C@@H](C(=O)NNC(=O)N[C@@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480133	DG	On-Demand	Reactive	ACE2	68	36
CC[C@@H](C(=O)NNC(=O)N[C@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480135	DG	On-Demand	Reactive	MME	56	39
CC[C@@H](C(=O)NNC(=O)N[C@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480135	DG	On-Demand	Reactive	KCNQ2	40	39
CC[C@@H](C(=O)NNC(=O)N[C@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480135	DG	On-Demand	Reactive	PAPA1_CARPA	57	40
CC[C@@H](C(=O)NNC(=O)N[C@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480135	DG	On-Demand	Reactive	CTSK	17	40
CC[C@@H](C(=O)NNC(=O)N[C@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480135	DG	On-Demand	Reactive	CAPN2	59	35
CC[C@@H](C(=O)NNC(=O)N[C@H](C)C(C)(C)CC)c1ccccc1	ZINC000852480135	DG	On-Demand	Reactive	ACE2	68	36
CCOC(=O)N1CCC(NC(=O)N[C@H](C)C(C)(C)CC)CC1	ZINC000852480158	DF	On-Demand	Anodyne	EPHX2	32	48
CCOC(=O)N1CCC(NC(=O)N[C@H](C)C(C)(C)CC)CC1	ZINC000852480158	DF	On-Demand	Anodyne	CCR8	18	40
CCOC(=O)N1CCC(NC(=O)N[C@@H](C)C(C)(C)CC)CC1	ZINC000852480159	DF	On-Demand	Anodyne	EPHX2	32	48
CCOC(=O)N1CCC(NC(=O)N[C@@H](C)C(C)(C)CC)CC1	ZINC000852480159	DF	On-Demand	Anodyne	CCR8	18	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852480162	EH	On-Demand	Anodyne	GPR119	52	38
CCC(C)(C)[C@@H](C)NC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852480172	EH	On-Demand	Anodyne	TIMP3	70	39
COCCN(CCF)CCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852480199	DD	On-Demand	Bother	COLA	44	34
COCCN(CCF)C[C@H]1CCCN1C	ZINC000852480234	BC	On-Demand	Anodyne	CHRNA10	56	35
COCCN(CCF)C[C@@H]1CCCN1C	ZINC000852480235	BC	On-Demand	Anodyne	CHRNA10	56	35
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCCC2)cc1)C1CC1	ZINC000852480276	DF	On-Demand	Mild	KCNQ2	24	42
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCCC2)cc1)C1CC1	ZINC000852480276	DF	On-Demand	Mild	LGMN	56	32
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCCC2)cc1)C1CC1	ZINC000852480277	DF	On-Demand	Mild	KCNQ2	24	42
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCCC2)cc1)C1CC1	ZINC000852480277	DF	On-Demand	Mild	LGMN	56	32
CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@@H](C)C(C)(C)CC)CC1	ZINC000852480284	GF	On-Demand	Anodyne	EPHX2	21	40
CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N[C@H](C)C(C)(C)CC)CC1	ZINC000852480285	GF	On-Demand	Anodyne	EPHX2	21	40
C[C@@H](C#N)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	ZINC000852480306	FD	On-Demand	Mild	LGMN	44	34
C[C@H](C#N)N(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	ZINC000852480307	FD	On-Demand	Mild	LGMN	44	34
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	ACE	39	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CELA1	22	41
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	MME	93	45
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	ANPEP	53	35
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	TACR1	15	44
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	FCER2	57	36
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	BMP1	19	42
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	KLK3	81	37
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CTSB	80	44
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	PAPA1_CARPA	93	44
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CYSP_TRYCR	64	42
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CTSK	49	46
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CTSL	55	46
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CTRB1	43	36
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	AMY2	51	30
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CAPNS1	72	43
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	HLA-DRB1	52	35
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CTSS	33	46
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CAPN1	114	45
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CTRC	18	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CAPN2	153	45
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	ACE2	66	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	KLK5	31	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	FPR1	67	38
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	CTRB_BOVIN	59	35
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	NPR	90	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	PSMB5	58	40
CCC(C)(C)[C@@H](C)NC(=O)NCC(=O)OCc1ccccc1	ZINC000852480336	DF	On-Demand	Anodyne	PDS	47	33
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000852480339	EH	On-Demand	Clean	EPHX2	42	41
CCC(C)(C)[C@@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000852480339	EH	On-Demand	Clean	MCHR1	17	40
CCC(C)(C)[C@@H](C)NC(=O)NNc1ccccc1S(C)(=O)=O	ZINC000852480348	EF	On-Demand	Reactive	CAPN2	42	29
COCCN(CCF)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852480391	CE	On-Demand	Anodyne	DRD2	16	40
COCCN(CCF)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852480391	CE	On-Demand	Anodyne	DRD4	42	39
COCCN(CCF)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852480391	CE	On-Demand	Anodyne	ACHE	32	44
COCCN(CCF)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852480391	CE	On-Demand	Anodyne	SLC6A3	25	41
COCCN(CCF)[C@H]1CCN(Cc2ccccc2)C1	ZINC000852480391	CE	On-Demand	Anodyne	SIGMAR1	62	42
COCCN(CCF)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852480392	CE	On-Demand	Anodyne	DRD2	16	40
COCCN(CCF)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852480392	CE	On-Demand	Anodyne	DRD4	42	39
COCCN(CCF)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852480392	CE	On-Demand	Anodyne	ACHE	32	44
COCCN(CCF)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852480392	CE	On-Demand	Anodyne	SLC6A3	25	41
COCCN(CCF)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852480392	CE	On-Demand	Anodyne	SIGMAR1	62	42
COCCN(CCF)C[C@@](O)(C(N)=O)c1ccccc1	ZINC000852480398	CC	On-Demand	Anodyne	AMY2	60	41
COCCN(CCF)C[C@](O)(C(N)=O)c1ccccc1	ZINC000852480399	CC	On-Demand	Anodyne	AMY2	60	41
COCCN(CCF)Cc1ccc(C#N)s1	ZINC000852480421	BE	On-Demand	Mild	NR1D1	15	43
CCCOc1cccc(CN(CCF)CCOC)c1	ZINC000852480430	CF	On-Demand	Anodyne	SQLE	91	36
CCC(C)(C)[C@@H](C)NC(=O)N1CCN(c2nc(F)c(F)cc2F)CC1	ZINC000852480441	FG	On-Demand	Anodyne	PRKCQ	41	35
COCCN(CCF)Cc1ccc(CN2CCCCC2)cc1	ZINC000852480455	DG	On-Demand	Anodyne	HRH3	26	59
C[C@H](C#N)N(CCOc1cccc(F)c1)C1CC1	ZINC000852480456	BF	On-Demand	Mild	CHRNA10	39	41
C[C@@H](C#N)N(CCOc1cccc(F)c1)C1CC1	ZINC000852480458	BF	On-Demand	Mild	CHRNA10	39	41
C[C@@H](C#N)N(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C1CC1	ZINC000852480460	FD	On-Demand	Mild	LGMN	44	31
C[C@H](C#N)N(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C1CC1	ZINC000852480462	FD	On-Demand	Mild	LGMN	44	31
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	HTR1A	78	51
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	DRD2	56	51
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	DRD4	47	51
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	HTR2A	45	51
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	HTR2C	15	44
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	DRD3	69	51
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	DRD5	18	41
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	HTR7	83	49
COCCN(CCF)CCCN1CCN(c2ccccc2)CC1	ZINC000852480472	DE	On-Demand	Anodyne	SIGMAR1	24	47
COCCN(CCF)Cc1cccc(CN2CCCCC2)c1	ZINC000852480497	DG	On-Demand	Anodyne	HRH2	28	43
COCCN(CCF)Cc1cccc(CN2CCCCC2)c1	ZINC000852480497	DG	On-Demand	Anodyne	HRH3	15	45
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852480500	EG	On-Demand	Reactive	AVPR1A	31	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)NCc1ccc(Cl)cc1	ZINC000852480500	EG	On-Demand	Reactive	ANPEP	15	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852480527	EH	On-Demand	Anodyne	AMY2	43	30
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852480527	EH	On-Demand	Anodyne	XIAP	40	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852480527	EH	On-Demand	Anodyne	BIRC2	40	36
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852480527	EH	On-Demand	Anodyne	Q82323_9DELA	73	32
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852480527	EH	On-Demand	Anodyne	BIRC8	55	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852480529	EH	On-Demand	Anodyne	AMY2	43	30
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852480529	EH	On-Demand	Anodyne	XIAP	40	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852480529	EH	On-Demand	Anodyne	BIRC2	40	36
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852480529	EH	On-Demand	Anodyne	Q82323_9DELA	73	32
CCC(C)(C)[C@@H](C)NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852480529	EH	On-Demand	Anodyne	BIRC8	55	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccccc1C	ZINC000852480537	DG	On-Demand	Reactive	ANPEP	21	53
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccccc1C	ZINC000852480537	DG	On-Demand	Reactive	PAPA1_CARPA	43	38
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)C1CC1	ZINC000852480545	EF	On-Demand	Mild	KCNQ2	18	41
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)C1CC1	ZINC000852480545	EF	On-Demand	Mild	LGMN	51	32
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)C1CC1	ZINC000852480546	EF	On-Demand	Mild	KCNQ2	18	41
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)C1CC1	ZINC000852480546	EF	On-Demand	Mild	LGMN	51	32
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	GALR1	43	31
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	CTSB	44	42
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	PAPA1_CARPA	29	40
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	CTSK	30	43
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	CTSL	30	43
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	AMY2	44	30
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	CAPNS1	55	31
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	LGMN	81	43
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	CTSS	24	42
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	CAPN2	53	33
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	NPR	61	35
C[C@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480551	CE	On-Demand	Mild	SLC12A5	46	33
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	GALR1	43	31
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	CTSB	44	42
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	PAPA1_CARPA	29	40
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	CTSK	30	43
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	CTSL	30	43
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	AMY2	44	30
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	CAPNS1	55	31
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	LGMN	81	43
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	CTSS	24	42
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	CAPN2	53	33
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	NPR	61	35
C[C@@H](C#N)N(CC(=O)OCc1ccccc1)C1CC1	ZINC000852480552	CE	On-Demand	Mild	SLC12A5	46	33
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	CTSD	70	45
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	PGC	61	41
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	CMA1	31	40
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	CTRA_BOVIN	22	40
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	PAPA1_CARPA	60	48
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	CTSK	24	44
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	CTSL	31	48
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	PGA	45	41
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	REN	92	47
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	REN1	31	43
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	CYP3A5	21	41
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	FPR1	52	41
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	CTRB_BOVIN	55	36
C[C@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480553	FF	On-Demand	Mild	PLM1_PLAFA	17	43
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	CTSD	70	45
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	PGC	61	41
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	CMA1	31	40
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	CTRA_BOVIN	22	40
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	PAPA1_CARPA	60	48
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	CTSK	24	44
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	CTSL	31	48
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	PGA	45	41
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	REN	92	47
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	REN1	31	43
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	CYP3A5	21	41
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	FPR1	52	41
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	CTRB_BOVIN	55	36
C[C@@H](C#N)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CC1	ZINC000852480554	FF	On-Demand	Mild	PLM1_PLAFA	17	43
CCOC(=O)C1=C(CN(C2CC2)[C@H](C)C#N)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000852480559	GE	On-Demand	Mild	SLC27A4	78	37
CCOC(=O)C1=C(CN(C2CC2)[C@@H](C)C#N)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000852480560	GE	On-Demand	Mild	SLC27A4	78	37
CCOC(=O)C1=C(CN(C2CC2)[C@@H](C)C#N)NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000852480561	GE	On-Demand	Mild	SLC27A4	78	37
CCOC(=O)C1=C(CN(C2CC2)[C@H](C)C#N)NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000852480562	GE	On-Demand	Mild	SLC27A4	78	37
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000852480569	FG	On-Demand	Anodyne	TRPV1	18	41
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cccc(I)c2)cc1	ZINC000852480595	JI	On-Demand	Anodyne	KCNK3	51	33
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cccc(I)c2)cc1	ZINC000852480595	JI	On-Demand	Anodyne	KCNK9	43	33
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cccc(I)c2)cc1	ZINC000852480596	JI	On-Demand	Anodyne	KCNK3	51	33
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cccc(I)c2)cc1	ZINC000852480596	JI	On-Demand	Anodyne	KCNK9	43	33
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000852480598	FG	On-Demand	Anodyne	TRPV1	18	41
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852480613	DH	On-Demand	Clean	THRA	49	34
CCC(C)(C)[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852480613	DH	On-Demand	Clean	THRB	54	36
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852480615	DH	On-Demand	Clean	THRA	49	34
CCC(C)(C)[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852480615	DH	On-Demand	Clean	THRB	54	36
C[C@@H](C#N)N(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CC1	ZINC000852480616	FF	On-Demand	Mild	CNR2	18	41
C[C@@H](C#N)N(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CC1	ZINC000852480616	FF	On-Demand	Mild	LGMN	41	32
C[C@H](C#N)N(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CC1	ZINC000852480617	FF	On-Demand	Mild	CNR2	18	41
C[C@H](C#N)N(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CC1	ZINC000852480617	FF	On-Demand	Mild	LGMN	41	32
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852480618	DG	On-Demand	Anodyne	CACNA1H	40	39
CCC(C)(C)[C@@H](C)NC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852480619	DG	On-Demand	Anodyne	CACNA1H	40	39
CCC(C)(C)[C@@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000852480650	DG	On-Demand	Bother	COLA	58	36
CCC(C)(C)[C@@H](C)NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000852480650	DG	On-Demand	Bother	AKR1C3	18	46
C[C@H](C#N)N(Cc1cnc(Cl)s1)C1CC1	ZINC000852480676	BF	On-Demand	Mild	NACHRBETA2	20	44
C[C@@H](C#N)N(Cc1cnc(Cl)s1)C1CC1	ZINC000852480677	BF	On-Demand	Mild	NACHRBETA2	20	44
C[C@H](C#N)N(CC(=O)Nc1cccnc1Cl)C1CC1	ZINC000852480680	CE	On-Demand	Mild	G2YM83_BOTF4	69	36
C[C@@H](C#N)N(CC(=O)Nc1cccnc1Cl)C1CC1	ZINC000852480681	CE	On-Demand	Mild	G2YM83_BOTF4	69	36
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1ccccc1F	ZINC000852480682	DF	On-Demand	Reactive	ACE2	44	31
CCCCC[C@@H](C)NC(=O)CN(C1CC1)[C@H](C)C#N	ZINC000852480693	CE	On-Demand	Mild	NOD1	48	30
CCCCC[C@@H](C)NC(=O)CN(C1CC1)[C@@H](C)C#N	ZINC000852480694	CE	On-Demand	Mild	NOD1	48	30
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852480708	EH	On-Demand	Anodyne	CTSK	15	45
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852480708	EH	On-Demand	Anodyne	EPHX2	17	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000852480715	EH	On-Demand	Clean	Q9N6S8_PLAFA	16	41
COCCN(CCF)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000852480717	FD	On-Demand	Mild	PTAFR	33	41
COCCN(CCF)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000852480720	FD	On-Demand	Mild	PTAFR	33	41
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cc(OC)ccc1OC	ZINC000852480727	EF	On-Demand	Anodyne	MTNR1A	34	44
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cc(OC)ccc1OC	ZINC000852480728	EF	On-Demand	Anodyne	MTNR1A	34	44
C[C@@H](C#N)N(Cc1cc(=O)oc2cc(O)ccc12)C1CC1	ZINC000852480734	CE	On-Demand	Mild	HSD17B3	40	54
C[C@H](C#N)N(Cc1cc(=O)oc2cc(O)ccc12)C1CC1	ZINC000852480736	CE	On-Demand	Mild	HSD17B3	40	54
COCCN(CCF)CCC(C#N)(c1ccccc1)c1ccccc1	ZINC000852480744	EH	On-Demand	Mild	CHRM3	45	33
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cc1	ZINC000852480746	IK	On-Demand	Anodyne	BCHE	15	50
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)cc1	ZINC000852480759	IK	On-Demand	Anodyne	BCHE	15	50
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1	ZINC000852480772	EG	On-Demand	Mild	KCNQ2	18	41
C[C@@H](C#N)N(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1	ZINC000852480772	EG	On-Demand	Mild	LGMN	51	32
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1	ZINC000852480773	EG	On-Demand	Mild	KCNQ2	18	41
C[C@H](C#N)N(CC(=O)Nc1ccc(N2CCCCCC2)cc1)C1CC1	ZINC000852480773	EG	On-Demand	Mild	LGMN	51	32
COCCN(CCF)CC(=O)Nc1c(C)cccc1Cl	ZINC000852480776	DF	On-Demand	Anodyne	LCK	33	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852480803	EG	On-Demand	Anodyne	Q6PRC7_IXORI	22	42
COc1ccc(N2CCN(C(=O)CN(C3CC3)[C@@H](C)C#N)CC2)cc1	ZINC000852480805	ED	On-Demand	Mild	SSTR1	42	36
COc1ccc(N2CCN(C(=O)CN(C3CC3)[C@H](C)C#N)CC2)cc1	ZINC000852480808	ED	On-Demand	Mild	SSTR1	42	36
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	ADRB3	29	44
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	MME	71	36
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	ANPEP	43	39
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	CTSB	31	46
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	CTRB1	40	33
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	CAPN1	42	46
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	CAPN2	71	46
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	ACE2	45	35
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	FPR1	52	37
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	CTRB_BOVIN	46	32
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	AOC3	16	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1ccccc1	ZINC000852480831	CF	On-Demand	Anodyne	Q82323_9DELA	41	31
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	ADRB3	29	44
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	MME	71	36
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	ANPEP	43	39
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	CTSB	31	46
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	CTRB1	40	33
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	CAPN1	42	46
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	CAPN2	71	46
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	ACE2	45	35
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	FPR1	52	37
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	CTRB_BOVIN	46	32
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	AOC3	16	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1ccccc1	ZINC000852480832	CF	On-Demand	Anodyne	Q82323_9DELA	41	31
C[C@@H](C#N)N(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1	ZINC000852480840	FD	On-Demand	Mild	SSTR1	64	51
C[C@H](C#N)N(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1	ZINC000852480847	FD	On-Demand	Mild	SSTR1	64	51
CCC(C)(C)[C@@H](C)NC(=O)N(C)Cc1ccc(OC)c(F)c1	ZINC000852480856	DH	On-Demand	Anodyne	MT-ND1	18	41
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852480858	DG	On-Demand	Anodyne	ADRB1	39	49
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852480858	DG	On-Demand	Anodyne	ADRB3	57	49
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852480860	DG	On-Demand	Anodyne	ADRB1	39	49
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852480860	DG	On-Demand	Anodyne	ADRB3	57	49
CCOC(=O)C1=C(CN(C2CC2)[C@H](C)C#N)NC(=O)N[C@H]1c1ccccc1	ZINC000852480862	FE	On-Demand	Mild	SLC27A4	77	36
CCOC(=O)C1=C(CN(C2CC2)[C@H](C)C#N)NC(=O)N[C@@H]1c1ccccc1	ZINC000852480863	FE	On-Demand	Mild	SLC27A4	77	36
CCOC(=O)C1=C(CN(C2CC2)[C@@H](C)C#N)NC(=O)N[C@@H]1c1ccccc1	ZINC000852480864	FE	On-Demand	Mild	SLC27A4	77	36
CCOC(=O)C1=C(CN(C2CC2)[C@@H](C)C#N)NC(=O)N[C@H]1c1ccccc1	ZINC000852480867	FE	On-Demand	Mild	SLC27A4	77	36
COCCN(CCF)[C@@H](C(=O)OC)c1ccc(Cl)cc1	ZINC000852480875	DE	On-Demand	Anodyne	UTS2	46	37
COCCN(CCF)[C@H](C(=O)OC)c1ccc(Cl)cc1	ZINC000852480877	DE	On-Demand	Anodyne	UTS2	46	37
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852480882	DF	On-Demand	Anodyne	ADRB3	43	39
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852480882	DF	On-Demand	Anodyne	CTSB	15	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852480882	DF	On-Demand	Anodyne	MTNR1A	43	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852480882	DF	On-Demand	Anodyne	MTNR1B	46	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852480882	DF	On-Demand	Anodyne	CAPN1	15	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852480882	DF	On-Demand	Anodyne	CAPN2	29	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852480883	DF	On-Demand	Anodyne	ADRB3	43	39
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852480883	DF	On-Demand	Anodyne	CTSB	15	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852480883	DF	On-Demand	Anodyne	MTNR1A	43	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852480883	DF	On-Demand	Anodyne	MTNR1B	46	42
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852480883	DF	On-Demand	Anodyne	CAPN1	15	40
CCC(C)(C)[C@@H](C)NC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852480883	DF	On-Demand	Anodyne	CAPN2	29	40
COCCN(CCF)Cc1nc2ccc(OC)cc2s1	ZINC000852480897	CF	On-Demand	Anodyne	LUCI_PHOPE	32	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852480902	EF	On-Demand	Reactive	MMP3	15	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852480902	EF	On-Demand	Reactive	MMP1	23	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852480902	EF	On-Demand	Reactive	FFAR1	40	38
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852480902	EF	On-Demand	Reactive	FFAR4	44	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	MME	18	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	EDNRA	18	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	TACR1	17	48
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	CCKAR	56	45
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	BRS3	24	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	NMBR	40	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	MMP2	22	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	ECE1	43	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	MMP11	66	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	CCKBR	49	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	CFTR	37	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	MMP7	24	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	MMP1	21	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852480908	DF	On-Demand	Reactive	NPR	25	40
C[C@@H](C#N)N(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	ZINC000852480916	DD	On-Demand	Reactive	CTSV	25	41
C[C@H](C#N)N(CC(=O)NNC(=O)c1cccc(Cl)c1)C1CC1	ZINC000852480917	DD	On-Demand	Reactive	CTSV	25	41
CCC(C)(C)[C@@H](C)NC(=O)NCC[C@H](O)c1ccccc1	ZINC000852480924	CG	On-Demand	Anodyne	MME	45	35
CCC(C)(C)[C@@H](C)NC(=O)NCC[C@H](O)c1ccccc1	ZINC000852480924	CG	On-Demand	Anodyne	CTRB_BOVIN	45	31
CCC(C)(C)[C@@H](C)NC(=O)NCC[C@@H](O)c1ccccc1	ZINC000852480925	CG	On-Demand	Anodyne	MME	45	35
CCC(C)(C)[C@@H](C)NC(=O)NCC[C@@H](O)c1ccccc1	ZINC000852480925	CG	On-Demand	Anodyne	CTRB_BOVIN	45	31
C[C@H](C#N)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1	ZINC000852480929	DD	On-Demand	Mild	LGMN	57	33
C[C@@H](C#N)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1	ZINC000852480930	DD	On-Demand	Mild	LGMN	57	33
C[C@H](C#N)N(Cc1cc(Cl)ccc1OCC#N)C1CC1	ZINC000852480937	CG	On-Demand	Mild	NOS3	17	48
C[C@@H](C#N)N(Cc1cc(Cl)ccc1OCC#N)C1CC1	ZINC000852480938	CG	On-Demand	Mild	NOS3	17	48
CCOC(=O)Nc1ccc2c(CN(C3CC3)[C@H](C)C#N)cc(=O)oc2c1	ZINC000852480941	FG	On-Demand	Mild	MMP12	20	41
CCOC(=O)Nc1ccc2c(CN(C3CC3)[C@@H](C)C#N)cc(=O)oc2c1	ZINC000852480942	FG	On-Demand	Mild	MMP12	20	41
C[C@@H](C#N)N(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)C1CC1	ZINC000852480960	GH	On-Demand	Mild	F10	22	43
C[C@@H](C#N)N(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)C1CC1	ZINC000852480960	GH	On-Demand	Mild	NR2E3	62	34
C[C@H](C#N)N(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)C1CC1	ZINC000852480961	GH	On-Demand	Mild	F10	22	43
C[C@H](C#N)N(CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)C1CC1	ZINC000852480961	GH	On-Demand	Mild	NR2E3	62	34
CCC(C)(C)[C@@H](C)NC(=O)N(C)CCOc1ccccc1OC	ZINC000852480967	DH	On-Demand	Anodyne	AMY2	53	31
C[C@H](C#N)N(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1	ZINC000852480974	FE	On-Demand	Mild	VIPR1	27	43
C[C@@H](C#N)N(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1	ZINC000852480975	FE	On-Demand	Mild	VIPR1	27	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	MME	86	37
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	ANPEP	44	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CMA1	16	46
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CTSB	50	32
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	PAPA1_CARPA	73	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CYSP_TRYCR	41	33
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CTSG	18	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	BRS3	20	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CTRB1	34	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CAPNS1	57	33
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	MMP3	43	36
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CELA2A	17	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CAPN1	63	46
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CASP1	19	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	CAPN2	73	34
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	ACE2	57	36
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	FPR1	63	35
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	NPR	53	38
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	FFAR1	46	39
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)CCc1ccccc1	ZINC000852480980	DF	On-Demand	Reactive	PSMB5	42	41
COCCN(CCF)CC[C@H]1CCCN1C	ZINC000852481002	BD	On-Demand	Anodyne	CHRNA10	58	37
COCCN(CCF)CC[C@H]1CCCN1C	ZINC000852481002	BD	On-Demand	Anodyne	ACKR3	66	33
COCCN(CCF)CC[C@@H]1CCCN1C	ZINC000852481003	BD	On-Demand	Anodyne	CHRNA10	58	37
COCCN(CCF)CC[C@@H]1CCCN1C	ZINC000852481003	BD	On-Demand	Anodyne	ACKR3	66	33
COc1ccc2c(CN(C3CC3)[C@H](C)C#N)cc(=O)oc2c1	ZINC000852481036	CF	On-Demand	Mild	MAOB	36	43
COc1ccc2c(CN(C3CC3)[C@@H](C)C#N)cc(=O)oc2c1	ZINC000852481037	CF	On-Demand	Mild	MAOB	36	43
COCCN(CCF)CC(=O)NOCc1ccccc1	ZINC000852481048	CD	On-Demand	Anodyne	NPR	40	34
C[C@H](C#N)N(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	ZINC000852481050	FF	On-Demand	Mild	SLC1A1	42	37
C[C@H](C#N)N(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	ZINC000852481050	FF	On-Demand	Mild	SLC1A3	40	37
C[C@H](C#N)N(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	ZINC000852481050	FF	On-Demand	Mild	SLC1A2	50	37
C[C@@H](C#N)N(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	ZINC000852481051	FF	On-Demand	Mild	SLC1A1	42	37
C[C@@H](C#N)N(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	ZINC000852481051	FF	On-Demand	Mild	SLC1A3	40	37
C[C@@H](C#N)N(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1	ZINC000852481051	FF	On-Demand	Mild	SLC1A2	50	37
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852481068	DF	On-Demand	Reactive	ACE2	37	41
C[C@H](C#N)N(C[C@@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852481075	CC	On-Demand	Mild	AMY2	46	32
C[C@H](C#N)N(C[C@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852481076	CC	On-Demand	Mild	AMY2	46	32
C[C@@H](C#N)N(C[C@@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852481077	CC	On-Demand	Mild	AMY2	46	32
C[C@@H](C#N)N(C[C@](O)(C(N)=O)c1ccccc1)C1CC1	ZINC000852481078	CC	On-Demand	Mild	AMY2	46	32
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1ccc(Cl)nc1	ZINC000852481079	FH	On-Demand	Anodyne	KCNH2	46	61
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1ccc(Cl)nc1	ZINC000852481079	FH	On-Demand	Anodyne	LTA4H	41	41
COCCN(CCF)CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1	ZINC000852481083	GD	On-Demand	Anodyne	HRH3	18	43
COCCN(CCF)Cc1cncn1Cc1ccccc1	ZINC000852481104	CE	On-Demand	Anodyne	CYP11B1	16	47
CN(C)c1ncnc(Cl)c1CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481115	FH	On-Demand	Anodyne	KCNH2	39	44
COCCN(CCF)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000852481133	GD	On-Demand	Mild	PTAFR	35	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCc2c(nnn2-c2ccccc2)C1	ZINC000852481134	EG	On-Demand	Anodyne	MAPK1	45	35
COCCN(CCF)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000852481135	GD	On-Demand	Mild	PTAFR	35	44
COCCN(CCF)CCC(=O)N1CCc2ccccc2C1	ZINC000852481139	DD	On-Demand	Anodyne	NOD2	41	36
COCCN(CCF)CCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852481143	EF	On-Demand	Anodyne	GPR119	31	42
COC(=O)[C@@H](c1ccc(C#N)cc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481150	GH	On-Demand	Mild	CHRM1	16	49
COC(=O)[C@@H](c1ccc(C#N)cc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481150	GH	On-Demand	Mild	SLC6A3	31	49
COC(=O)[C@@H](c1ccc(C#N)cc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481150	GH	On-Demand	Mild	KCNH2	43	41
COC(=O)[C@@H](c1ccc(C#N)cc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481150	GH	On-Demand	Mild	GLRA1	45	34
COC(=O)[C@@H](c1ccc(C#N)cc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481150	GH	On-Demand	Mild	CTRB_BOVIN	46	32
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	CHRM2	18	43
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	CHRM1	28	43
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	SLC6A3	41	56
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	KCNH2	52	56
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	CHRM4	20	41
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	CHRM5	26	41
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	CHRM3	21	43
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	GLRA1	49	37
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	ACHP_LYMST	39	49
CCC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481154	CG	On-Demand	Anodyne	Q8WSF8_APLCA	47	49
C#CCOCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481155	CF	On-Demand	Mild	KCNH2	44	46
C#CCOCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481155	CF	On-Demand	Mild	ACHP_LYMST	29	40
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	CHRM2	15	40
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	CHRM1	18	43
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	DRD2	19	40
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	SLC6A3	23	49
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	KCNH2	57	60
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	CHRM3	15	43
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	LTA4H	35	50
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	SIGMAR1	19	43
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	CCR3	32	40
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	GLRA1	44	35
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	ACHP_LYMST	32	44
CC(=O)Oc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481160	FI	On-Demand	Anodyne	Q8WSF8_APLCA	35	44
C[C@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481165	CE	On-Demand	Mild	CTSB	35	41
C[C@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481165	CE	On-Demand	Mild	CTSK	26	41
C[C@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481165	CE	On-Demand	Mild	CTSL	24	41
C[C@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481165	CE	On-Demand	Mild	AMY2	46	31
C[C@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481165	CE	On-Demand	Mild	CAPNS1	54	30
C[C@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481165	CE	On-Demand	Mild	LGMN	58	39
C[C@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481165	CE	On-Demand	Mild	CTSS	21	41
C[C@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481165	CE	On-Demand	Mild	NPR	64	36
C[C@@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481166	CE	On-Demand	Mild	CTSB	35	41
C[C@@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481166	CE	On-Demand	Mild	CTSK	26	41
C[C@@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481166	CE	On-Demand	Mild	CTSL	24	41
C[C@@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481166	CE	On-Demand	Mild	AMY2	46	31
C[C@@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481166	CE	On-Demand	Mild	CAPNS1	54	30
C[C@@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481166	CE	On-Demand	Mild	LGMN	58	39
C[C@@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481166	CE	On-Demand	Mild	CTSS	21	41
C[C@@H](C#N)N(CCC(=O)OCc1ccccc1)C1CC1	ZINC000852481166	CE	On-Demand	Mild	NPR	64	36
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCO2)cc1	ZINC000852481169	DF	On-Demand	Anodyne	SLC6A3	19	56
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCO2)cc1	ZINC000852481169	DF	On-Demand	Anodyne	KCNH2	49	50
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCO2)cc1	ZINC000852481169	DF	On-Demand	Anodyne	GLRA1	42	31
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCO2)cc1	ZINC000852481169	DF	On-Demand	Anodyne	ACHP_LYMST	30	43
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CCC2OCCO2)cc1	ZINC000852481169	DF	On-Demand	Anodyne	Q8WSF8_APLCA	31	43
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2ccc3c(c2)COC3)cc1	ZINC000852481177	EI	On-Demand	Anodyne	KCNH2	51	53
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2ccc3c(c2)COC3)cc1	ZINC000852481177	EI	On-Demand	Anodyne	ACHP_LYMST	28	44
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481182	CG	On-Demand	Anodyne	CHRM2	15	41
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481182	CG	On-Demand	Anodyne	CHRM1	22	41
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481182	CG	On-Demand	Anodyne	SLC6A3	27	54
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481182	CG	On-Demand	Anodyne	KCNH2	52	54
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481182	CG	On-Demand	Anodyne	CHRM3	15	41
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481182	CG	On-Demand	Anodyne	GLRA1	47	36
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481182	CG	On-Demand	Anodyne	ACHP_LYMST	35	47
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481182	CG	On-Demand	Anodyne	Q8WSF8_APLCA	38	47
C[C@H](C(=O)Nc1cccnc1Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481206	GI	On-Demand	Anodyne	GLRA1	42	35
C[C@H](C(=O)Nc1cccnc1Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481206	GI	On-Demand	Anodyne	G2YM83_BOTF4	52	34
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1	ZINC000852481244	HJ	On-Demand	Anodyne	UTS2	42	41
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1	ZINC000852481245	HJ	On-Demand	Anodyne	UTS2	42	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1	ZINC000852481246	HJ	On-Demand	Anodyne	UTS2	42	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1	ZINC000852481247	HJ	On-Demand	Anodyne	UTS2	42	41
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2ccsc2)cc1	ZINC000852481287	CI	On-Demand	Anodyne	KCNH2	49	53
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2ccsc2)cc1	ZINC000852481287	CI	On-Demand	Anodyne	ACHP_LYMST	28	47
Fc1cccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852481310	DH	On-Demand	Anodyne	KCNH2	47	48
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccccc1	ZINC000852481311	GF	On-Demand	Reactive	KCNH2	55	62
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccccc1	ZINC000852481311	GF	On-Demand	Reactive	LTA4H	17	40
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccccc1	ZINC000852481311	GF	On-Demand	Reactive	GLRA1	41	34
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccccc1	ZINC000852481311	GF	On-Demand	Reactive	ACHP_LYMST	38	44
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccccc1	ZINC000852481311	GF	On-Demand	Reactive	Q8WSF8_APLCA	46	44
O=C1O[C@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC12CC2	ZINC000852481313	EG	On-Demand	Anodyne	KCNH2	42	40
O=C1O[C@@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC12CC2	ZINC000852481314	EG	On-Demand	Anodyne	KCNH2	42	40
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2ccc3nonc3c2)cc1	ZINC000852481322	EH	On-Demand	Anodyne	KCNH2	52	54
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2ccc3nonc3c2)cc1	ZINC000852481322	EH	On-Demand	Anodyne	ACHP_LYMST	22	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852481340	FI	On-Demand	Anodyne	EPHX2	19	40
C[C@H](C(=O)Nc1sccc1C(N)=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481346	GG	On-Demand	Anodyne	KCNH2	44	41
C[C@@H](C(=O)Nc1sccc1C(N)=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481347	GG	On-Demand	Anodyne	KCNH2	44	41
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(Cl)cc1	ZINC000852481350	EH	On-Demand	Reactive	IMDH_CRYPV	20	42
Brc1cccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852481351	FI	On-Demand	Anodyne	KCNH2	47	48
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2ccc(-n3ccnc3)nc2)cc1	ZINC000852481380	FH	On-Demand	Anodyne	KCNH2	39	44
COCCN(CCF)C[C@@H]1CN(Cc2ccccc2)CCCO1	ZINC000852481381	DE	On-Demand	Anodyne	DRD4	31	47
COCCN(CCF)C[C@H]1CN(Cc2ccccc2)CCCO1	ZINC000852481382	DE	On-Demand	Anodyne	DRD4	31	47
FC(F)C(F)(F)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481391	DH	On-Demand	Anodyne	CHRM1	19	41
FC(F)C(F)(F)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481391	DH	On-Demand	Anodyne	SLC6A3	22	61
FC(F)C(F)(F)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481391	DH	On-Demand	Anodyne	KCNH2	44	44
FC(F)C(F)(F)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481391	DH	On-Demand	Anodyne	GLRA1	42	31
Fc1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cnc1Cl	ZINC000852481399	EI	On-Demand	Anodyne	KCNH2	46	52
Fc1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cnc1Cl	ZINC000852481399	EI	On-Demand	Anodyne	ACHP_LYMST	21	41
Cc1nonc1CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481402	CF	On-Demand	Anodyne	KCNH2	47	45
COC(=O)/C(C)=C\CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481408	DG	On-Demand	Anodyne	SLC6A3	32	49
COC(=O)/C(C)=C\CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481408	DG	On-Demand	Anodyne	KCNH2	49	47
COC(=O)/C(C)=C\CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481408	DG	On-Demand	Anodyne	GLRA1	43	33
COC(=O)/C(C)=C\CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481408	DG	On-Demand	Anodyne	ACHP_LYMST	32	41
COC(=O)/C(C)=C\CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481408	DG	On-Demand	Anodyne	Q8WSF8_APLCA	34	41
COC(=O)/C(C)=C/CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481411	DG	On-Demand	Anodyne	SLC6A3	32	49
COC(=O)/C(C)=C/CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481411	DG	On-Demand	Anodyne	KCNH2	49	47
COC(=O)/C(C)=C/CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481411	DG	On-Demand	Anodyne	GLRA1	43	33
COC(=O)/C(C)=C/CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481411	DG	On-Demand	Anodyne	ACHP_LYMST	32	41
COC(=O)/C(C)=C/CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481411	DG	On-Demand	Anodyne	Q8WSF8_APLCA	34	41
CC(C)(C)OC(=O)NCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481417	EH	On-Demand	Anodyne	CHRM2	16	40
CC(C)(C)OC(=O)NCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481417	EH	On-Demand	Anodyne	SLC6A3	26	50
CC(C)(C)OC(=O)NCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481417	EH	On-Demand	Anodyne	KCNH2	49	51
CC(C)(C)OC(=O)NCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481417	EH	On-Demand	Anodyne	CHRM3	24	40
CC(C)(C)OC(=O)NCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481417	EH	On-Demand	Anodyne	GLRA1	45	34
CC(C)(C)OC(=O)NCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481417	EH	On-Demand	Anodyne	ACHP_LYMST	30	45
CC(C)(C)OC(=O)NCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481417	EH	On-Demand	Anodyne	Q8WSF8_APLCA	31	45
Cc1cnc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)s1	ZINC000852481432	DI	On-Demand	Anodyne	KCNH2	48	48
Cc1cnc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)s1	ZINC000852481432	DI	On-Demand	Anodyne	ACHP_LYMST	31	40
N#Cc1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481433	EH	On-Demand	Mild	CHRM1	18	51
N#Cc1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481433	EH	On-Demand	Mild	SLC6A3	18	51
N#Cc1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481433	EH	On-Demand	Mild	KCNH2	44	43
N#Cc1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481433	EH	On-Demand	Mild	ACHP_LYMST	28	56
N#Cc1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481433	EH	On-Demand	Mild	Q8WSF8_APLCA	39	56
N#Cc1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481434	EH	On-Demand	Mild	CHRM1	18	51
N#Cc1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481434	EH	On-Demand	Mild	SLC6A3	18	51
N#Cc1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481434	EH	On-Demand	Mild	KCNH2	44	43
N#Cc1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481434	EH	On-Demand	Mild	ACHP_LYMST	28	56
N#Cc1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481434	EH	On-Demand	Mild	Q8WSF8_APLCA	39	56
O=[N+]([O-])c1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481435	FH	On-Demand	Bother	CHRM1	19	54
O=[N+]([O-])c1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481435	FH	On-Demand	Bother	SLC6A3	19	54
O=[N+]([O-])c1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481435	FH	On-Demand	Bother	KCNH2	46	42
O=[N+]([O-])c1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481435	FH	On-Demand	Bother	GLRA1	41	31
O=[N+]([O-])c1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481435	FH	On-Demand	Bother	ACHP_LYMST	29	54
O=[N+]([O-])c1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481435	FH	On-Demand	Bother	Q8WSF8_APLCA	38	54
O=[N+]([O-])c1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481436	FH	On-Demand	Bother	CHRM1	19	54
O=[N+]([O-])c1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481436	FH	On-Demand	Bother	SLC6A3	19	54
O=[N+]([O-])c1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481436	FH	On-Demand	Bother	KCNH2	46	42
O=[N+]([O-])c1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481436	FH	On-Demand	Bother	GLRA1	41	31
O=[N+]([O-])c1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481436	FH	On-Demand	Bother	ACHP_LYMST	29	54
O=[N+]([O-])c1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852481436	FH	On-Demand	Bother	Q8WSF8_APLCA	38	54
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2cnnn2-c2ccccc2)cc1	ZINC000852481445	FH	On-Demand	Anodyne	KCNH2	43	44
c1ccc(Cn2cc(CN3[C@H]4CC[C@H]3CC(Oc3ccccc3)C4)nn2)cc1	ZINC000852481473	FH	On-Demand	Anodyne	KCNH2	48	54
c1ccc(Cn2cc(CN3[C@H]4CC[C@H]3CC(Oc3ccccc3)C4)nn2)cc1	ZINC000852481473	FH	On-Demand	Anodyne	ACHP_LYMST	20	43
Cc1nc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)nc2ccccc12	ZINC000852481474	FJ	On-Demand	Anodyne	KCNH2	45	44
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481481	CF	On-Demand	Anodyne	CHRM1	19	41
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481481	CF	On-Demand	Anodyne	SLC6A3	22	58
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481481	CF	On-Demand	Anodyne	KCNH2	49	50
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481481	CF	On-Demand	Anodyne	GLRA1	42	35
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481481	CF	On-Demand	Anodyne	ACHP_LYMST	33	49
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481481	CF	On-Demand	Anodyne	Q8WSF8_APLCA	37	49
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481482	CF	On-Demand	Anodyne	CHRM1	19	41
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481482	CF	On-Demand	Anodyne	SLC6A3	22	58
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481482	CF	On-Demand	Anodyne	KCNH2	49	50
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481482	CF	On-Demand	Anodyne	GLRA1	42	35
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481482	CF	On-Demand	Anodyne	ACHP_LYMST	33	49
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C1CC1	ZINC000852481482	CF	On-Demand	Anodyne	Q8WSF8_APLCA	37	49
O=[N+]([O-])c1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c([N+](=O)[O-])c1	ZINC000852481489	GI	On-Demand	Bother	KCNH2	46	46
O=c1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c2ccc(O)cc2o1	ZINC000852481490	GI	On-Demand	Anodyne	CYP11B1	15	41
O=c1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c2ccc(O)cc2o1	ZINC000852481490	GI	On-Demand	Anodyne	MAOB	20	40
O=c1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c2ccc(O)cc2o1	ZINC000852481490	GI	On-Demand	Anodyne	KCNH2	48	46
O=c1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c2ccc(O)cc2o1	ZINC000852481490	GI	On-Demand	Anodyne	HSD17B3	36	51
CON(C)C(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481509	DE	On-Demand	Anodyne	CHRM1	18	41
CON(C)C(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481509	DE	On-Demand	Anodyne	SLC6A3	21	50
CON(C)C(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481509	DE	On-Demand	Anodyne	KCNH2	51	49
CON(C)C(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481509	DE	On-Demand	Anodyne	GLRA1	45	36
CON(C)C(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481509	DE	On-Demand	Anodyne	ACHP_LYMST	32	42
CON(C)C(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481509	DE	On-Demand	Anodyne	Q8WSF8_APLCA	38	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852481515	CE	On-Demand	Anodyne	EPHX2	18	43
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	CHRM2	21	43
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	CHRM1	27	41
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	SLC6A3	31	55
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	KCNH2	52	55
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	CHRM4	20	40
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	CHRM5	27	40
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	CHRM3	31	43
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	GLRA1	48	36
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	ACHP_LYMST	35	48
CC(C)(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481518	DI	On-Demand	Anodyne	Q8WSF8_APLCA	42	48
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NOCc1ccccc1	ZINC000852481535	FG	On-Demand	Anodyne	SLC6A3	18	45
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NOCc1ccccc1	ZINC000852481535	FG	On-Demand	Anodyne	KCNH2	54	58
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NOCc1ccccc1	ZINC000852481535	FG	On-Demand	Anodyne	LTA4H	30	40
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NOCc1ccccc1	ZINC000852481535	FG	On-Demand	Anodyne	ACHP_LYMST	33	43
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NOCc1ccccc1	ZINC000852481535	FG	On-Demand	Anodyne	Q8WSF8_APLCA	36	43
C#CCNC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481537	DE	On-Demand	Mild	CHRM1	17	41
C#CCNC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481537	DE	On-Demand	Mild	SLC6A3	23	49
C#CCNC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481537	DE	On-Demand	Mild	KCNH2	48	50
C#CCNC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481537	DE	On-Demand	Mild	GLRA1	44	33
C#CCNC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481537	DE	On-Demand	Mild	ACHP_LYMST	29	44
C#CCNC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481537	DE	On-Demand	Mild	Q8WSF8_APLCA	31	44
CCC(C)(C)[C@@H](C)NC(=O)NN(C)c1ccccc1	ZINC000852481554	CG	On-Demand	Reactive	AMY2	44	30
CCC(C)(C)[C@@H](C)NC(=O)NN(C)c1ccccc1	ZINC000852481554	CG	On-Demand	Reactive	ACE2	41	33
COCCN(CCF)CCC(=O)Nc1ccc(OC)cc1	ZINC000852481575	CD	On-Demand	Anodyne	MTNR1B	18	43
COCCN(CCF)CCC(=O)Nc1ccc(OC)cc1	ZINC000852481575	CD	On-Demand	Anodyne	CA9	19	41
C[C@H](C#N)N(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	ZINC000852481666	DC	On-Demand	Reactive	CTRB_BOVIN	46	35
C[C@@H](C#N)N(CC(=O)NNC(=O)c1ccc(C#N)cc1)C1CC1	ZINC000852481667	DC	On-Demand	Reactive	CTRB_BOVIN	46	35
CC(C)(C)OC(=O)NCCOCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481675	GH	On-Demand	Anodyne	SLC6A3	15	46
CC(C)(C)OC(=O)NCCOCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481675	GH	On-Demand	Anodyne	KCNH2	46	48
CC(C)(C)OC(=O)NCCOCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481675	GH	On-Demand	Anodyne	GLRA1	42	32
CC(C)(C)OC(=O)NCCOCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481675	GH	On-Demand	Anodyne	ACHP_LYMST	26	42
CC(C)(C)OC(=O)NCCOCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481675	GH	On-Demand	Anodyne	Q8WSF8_APLCA	29	42
C[C@@H](C#N)N(Cc1cc2cc(Cl)ccc2nc1Cl)C1CC1	ZINC000852481677	DI	On-Demand	Mild	NOS3	17	48
C[C@H](C#N)N(Cc1cc2cc(Cl)ccc2nc1Cl)C1CC1	ZINC000852481678	DI	On-Demand	Mild	NOS3	17	48
Brc1ncn(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852481679	GG	On-Demand	Anodyne	KCNH2	42	43
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CC2OCCO2)cc1	ZINC000852481695	CE	On-Demand	Anodyne	SLC6A3	17	54
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3CC2OCCO2)cc1	ZINC000852481695	CE	On-Demand	Anodyne	KCNH2	48	47
COCCN(CCF)CCCCc1ccccc1	ZINC000852481702	CF	On-Demand	Anodyne	SIGMAR1	21	46
ICCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481707	FH	On-Demand	Reactive	CHRM1	19	43
ICCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481707	FH	On-Demand	Reactive	SLC6A3	23	59
ICCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481707	FH	On-Demand	Reactive	KCNH2	47	53
ICCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481707	FH	On-Demand	Reactive	ACHP_LYMST	33	45
ICCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481707	FH	On-Demand	Reactive	Q8WSF8_APLCA	36	45
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCC2(CC1)OCCO2	ZINC000852481708	GE	On-Demand	Anodyne	KCNH2	45	45
C[C@H](C#N)N(CCOC(=O)Cc1ccccc1)C1CC1	ZINC000852481717	CE	On-Demand	Mild	AMY2	54	33
C[C@@H](C#N)N(CCOC(=O)Cc1ccccc1)C1CC1	ZINC000852481718	CE	On-Demand	Mild	AMY2	54	33
CON(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481730	DE	On-Demand	Anodyne	CHRM2	15	40
CON(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481730	DE	On-Demand	Anodyne	CHRM1	21	40
CON(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481730	DE	On-Demand	Anodyne	SLC6A3	33	51
CON(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481730	DE	On-Demand	Anodyne	KCNH2	50	52
CON(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481730	DE	On-Demand	Anodyne	CHRM3	15	40
CON(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481730	DE	On-Demand	Anodyne	GLRA1	47	37
CON(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481730	DE	On-Demand	Anodyne	ACHP_LYMST	31	45
CON(C)C(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481730	DE	On-Demand	Anodyne	Q8WSF8_APLCA	35	45
FC(F)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481735	CG	On-Demand	Anodyne	CHRM1	24	44
FC(F)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481735	CG	On-Demand	Anodyne	SLC6A3	49	65
FC(F)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481735	CG	On-Demand	Anodyne	KCNH2	47	47
FC(F)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481735	CG	On-Demand	Anodyne	GLRA1	44	34
FC(F)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481735	CG	On-Demand	Anodyne	ACHP_LYMST	34	40
FC(F)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481735	CG	On-Demand	Anodyne	Q8WSF8_APLCA	30	40
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccc(F)cc1	ZINC000852481740	GF	On-Demand	Reactive	CHRM1	15	48
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccc(F)cc1	ZINC000852481740	GF	On-Demand	Reactive	SLC6A3	19	50
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccc(F)cc1	ZINC000852481740	GF	On-Demand	Reactive	KCNH2	48	54
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1ccc(F)cc1	ZINC000852481740	GF	On-Demand	Reactive	LTA4H	18	42
C#CCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481746	CG	On-Demand	Mild	CHRM1	15	41
C#CCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481746	CG	On-Demand	Mild	SLC6A3	15	55
C#CCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481746	CG	On-Demand	Mild	KCNH2	45	50
C#CCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481746	CG	On-Demand	Mild	ACHP_LYMST	27	41
C#CCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481746	CG	On-Demand	Mild	Q8WSF8_APLCA	28	40
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc2ccccc2o1	ZINC000852481749	FJ	On-Demand	Anodyne	KCNH2	45	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc2ccccc2o1	ZINC000852481749	FJ	On-Demand	Anodyne	ACHP_LYMST	25	45
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cc2ccccc2o1	ZINC000852481749	FJ	On-Demand	Anodyne	Q8WSF8_APLCA	31	45
C[C@@H](C#N)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481770	DF	On-Demand	Mild	SLC6A3	27	57
C[C@@H](C#N)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481770	DF	On-Demand	Mild	KCNH2	50	51
C[C@@H](C#N)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481770	DF	On-Demand	Mild	GLRA1	41	31
C[C@@H](C#N)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481770	DF	On-Demand	Mild	ACHP_LYMST	33	40
C[C@H](C#N)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481771	DF	On-Demand	Mild	SLC6A3	27	57
C[C@H](C#N)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481771	DF	On-Demand	Mild	KCNH2	50	51
C[C@H](C#N)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481771	DF	On-Demand	Mild	GLRA1	41	31
C[C@H](C#N)OCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481771	DF	On-Demand	Mild	ACHP_LYMST	33	40
C[C@@H](C#N)N(Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C1CC1	ZINC000852481782	FH	On-Demand	Mild	LGMN	69	35
C[C@H](C#N)N(Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C1CC1	ZINC000852481783	FH	On-Demand	Mild	LGMN	69	35
O=C1O[C@@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CN1C1CC1	ZINC000852481788	EG	On-Demand	Anodyne	KCNH2	44	42
O=C1O[C@H](CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CN1C1CC1	ZINC000852481789	EG	On-Demand	Anodyne	KCNH2	44	42
C[C@@H](C#N)N(CCCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000852481790	EH	On-Demand	Mild	GPR119	31	41
C[C@H](C#N)N(CCCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1	ZINC000852481791	EH	On-Demand	Mild	GPR119	31	41
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2cnsn2)cc1	ZINC000852481796	DG	On-Demand	Anodyne	KCNH2	46	48
c1ccc(OC2C[C@@H]3CC[C@H](C2)N3Cc2cnsn2)cc1	ZINC000852481796	DG	On-Demand	Anodyne	ACHP_LYMST	26	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	CTSK	17	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	CTSL	18	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	HDAC8	20	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	MTNR1A	23	40
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	MTNR1B	26	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	NPY5R	16	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	EPHX2	17	44
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	CA12	19	43
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	CA9	20	42
CCC(C)(C)[C@@H](C)NC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852481801	DF	On-Demand	Reactive	FPR1	18	40
C=C(CBr)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481809	EI	On-Demand	Reactive	KCNH2	47	47
Brc1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)ccn1	ZINC000852481810	FI	On-Demand	Anodyne	KCNH2	49	52
Brc1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)ccn1	ZINC000852481810	FI	On-Demand	Anodyne	ACHP_LYMST	22	41
NC(=O)c1ccsc1NC(=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481812	GG	On-Demand	Anodyne	KCNH2	52	52
NC(=O)NC(=O)OCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481822	EE	On-Demand	Anodyne	SLC6A3	20	46
NC(=O)NC(=O)OCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481822	EE	On-Demand	Anodyne	KCNH2	52	56
NC(=O)NC(=O)OCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481822	EE	On-Demand	Anodyne	CHRM3	16	40
NC(=O)NC(=O)OCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481822	EE	On-Demand	Anodyne	GLRA1	41	31
NC(=O)NC(=O)OCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481822	EE	On-Demand	Anodyne	ACHP_LYMST	28	41
NC(=O)NC(=O)OCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852481822	EE	On-Demand	Anodyne	Q8WSF8_APLCA	30	41
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	CHRM2	15	48
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	CHRM1	27	48
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	SLC6A3	47	59
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	KCNH2	47	49
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	CHRM4	21	44
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	CHRM5	27	42
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	CHRM3	15	48
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	GLRA1	44	33
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	ACHP_LYMST	38	50
O[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481829	EI	On-Demand	Anodyne	Q8WSF8_APLCA	44	50
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	CHRM2	15	48
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	CHRM1	27	48
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	SLC6A3	47	59
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	KCNH2	47	49
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	CHRM4	21	44
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	CHRM5	27	42
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	CHRM3	15	48
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	GLRA1	44	33
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	ACHP_LYMST	38	50
O[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852481831	EI	On-Demand	Anodyne	Q8WSF8_APLCA	44	50
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cn1	ZINC000852481837	EG	On-Demand	Anodyne	SLC6A3	17	41
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cn1	ZINC000852481837	EG	On-Demand	Anodyne	KCNH2	41	40
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cn1	ZINC000852481837	EG	On-Demand	Anodyne	ACHP_LYMST	20	43
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cn1	ZINC000852481837	EG	On-Demand	Anodyne	Q8WSF8_APLCA	29	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cn1	ZINC000852481839	EG	On-Demand	Anodyne	SLC6A3	17	41
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cn1	ZINC000852481839	EG	On-Demand	Anodyne	KCNH2	41	40
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cn1	ZINC000852481839	EG	On-Demand	Anodyne	ACHP_LYMST	20	43
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccc(F)cn1	ZINC000852481839	EG	On-Demand	Anodyne	Q8WSF8_APLCA	29	43
O=C(NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(F)(F)F	ZINC000852481844	FG	On-Demand	Anodyne	CHRM1	16	43
O=C(NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(F)(F)F	ZINC000852481844	FG	On-Demand	Anodyne	SLC6A3	20	46
O=C(NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(F)(F)F	ZINC000852481844	FG	On-Demand	Anodyne	KCNH2	47	51
O=C(NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(F)(F)F	ZINC000852481844	FG	On-Demand	Anodyne	GLRA1	41	31
O=C(NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(F)(F)F	ZINC000852481844	FG	On-Demand	Anodyne	ACHP_LYMST	26	41
O=C(NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(F)(F)F	ZINC000852481844	FG	On-Demand	Anodyne	Q8WSF8_APLCA	30	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	CHRM2	17	46
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	DRD2	17	54
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	DRD4	43	54
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	ACHE	30	45
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	CHRM3	22	46
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	LTA4H	18	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	SIGMAR1	40	45
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	SSTR5	46	35
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	CCR3	28	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	UTS2R	22	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	CCR2	16	43
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	MCHR1	33	45
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	CYP2J2	49	40
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481845	HG	On-Demand	Anodyne	BIRC2	50	46
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	CHRM2	17	46
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	DRD2	17	54
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	DRD4	43	54
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	ACHE	30	45
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	CHRM3	22	46
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	LTA4H	18	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	SIGMAR1	40	45
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	SSTR5	46	35
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	CCR3	28	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	UTS2R	22	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	CCR2	16	43
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	MCHR1	33	45
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	CYP2J2	49	40
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481847	HG	On-Demand	Anodyne	BIRC2	50	46
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	CHRM2	17	46
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	DRD2	17	54
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	DRD4	43	54
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	ACHE	30	45
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	CHRM3	22	46
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	LTA4H	18	41
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	SIGMAR1	40	45
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	SSTR5	46	35
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	CCR3	28	41
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	UTS2R	22	41
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	CCR2	16	43
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	MCHR1	33	45
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	CYP2J2	49	40
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481850	HG	On-Demand	Anodyne	BIRC2	50	46
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	CHRM2	17	46
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	DRD2	17	54
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	DRD4	43	54
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	ACHE	30	45
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	CHRM3	22	46
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	LTA4H	18	41
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	SIGMAR1	40	45
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	SSTR5	46	35
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	CCR3	28	41
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	UTS2R	22	41
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	CCR2	16	43
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	MCHR1	33	45
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	CYP2J2	49	40
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000852481852	HG	On-Demand	Anodyne	BIRC2	50	46
COCCN(CCF)[C@H](C)c1noc(-c2ccccc2)n1	ZINC000852481901	CF	On-Demand	Anodyne	LUCI_PHOPE	21	40
COCCN(CCF)[C@@H](C)c1noc(-c2ccccc2)n1	ZINC000852481902	CF	On-Demand	Anodyne	LUCI_PHOPE	21	40
COCCN(CCF)CC(=O)Nc1cccc(C(C)=O)c1	ZINC000852481928	CD	On-Demand	Anodyne	KCNK3	106	36
COCCN(CCF)CC(=O)Nc1cccc(C(C)=O)c1	ZINC000852481928	CD	On-Demand	Anodyne	KCNK9	71	35
COCCN(CCF)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000852481947	EG	On-Demand	Anodyne	BCL2A1	40	31
COCCN(CCF)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000852481948	EG	On-Demand	Anodyne	BCL2A1	40	31
COCCN(CCF)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852481950	DF	On-Demand	Anodyne	LUCI_PHOPY	86	48
COCCN(CCF)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852481951	DF	On-Demand	Anodyne	LUCI_PHOPY	86	48
COCCN(CCF)CC(=O)NNC(=O)c1cccc(C)c1	ZINC000852481957	DC	On-Demand	Reactive	KCNK3	59	39
COCCN(CCF)CC(=O)NNC(=O)c1cccc(C)c1	ZINC000852481957	DC	On-Demand	Reactive	KCNK9	46	39
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852481966	JF	On-Demand	Anodyne	TRY2_BOVIN	15	40
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852481966	JF	On-Demand	Anodyne	TGM2	48	38
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852481966	JF	On-Demand	Anodyne	F13A1	52	38
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852481967	JF	On-Demand	Anodyne	TRY2_BOVIN	15	40
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852481967	JF	On-Demand	Anodyne	TGM2	48	38
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	ZINC000852481967	JF	On-Demand	Anodyne	F13A1	52	38
COCCN(CCF)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852481970	FH	On-Demand	Anodyne	TSPO	52	35
COCCN(CCF)[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852481971	FH	On-Demand	Anodyne	TSPO	52	35
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1	ZINC000852481978	GG	On-Demand	Anodyne	NR1H4	15	40
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1	ZINC000852481978	GG	On-Demand	Anodyne	KCNK3	101	43
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1	ZINC000852481978	GG	On-Demand	Anodyne	KCNK9	85	43
COCCN(CCF)[C@@H](C(N)=O)c1ccccc1	ZINC000852481979	CD	On-Demand	Anodyne	AMY2	52	31
COCCN(CCF)[C@H](C(N)=O)c1ccccc1	ZINC000852481980	CD	On-Demand	Anodyne	AMY2	52	31
COCCN(CCF)CC(=O)Nc1nc2ccccc2s1	ZINC000852481983	DE	On-Demand	Anodyne	CSNK1D	48	51
COCCN(CCF)CC(=O)Nc1nc2ccccc2s1	ZINC000852481983	DE	On-Demand	Anodyne	BCL2L1	51	31
COCCN(CCF)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1	ZINC000852481989	GB	On-Demand	Anodyne	PDGFRB	45	36
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852482003	GG	On-Demand	Anodyne	MPL	44	46
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852482003	GG	On-Demand	Anodyne	ROCK1	20	41
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852482003	GG	On-Demand	Anodyne	ROCK2	15	41
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852482004	GG	On-Demand	Anodyne	MPL	44	46
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852482004	GG	On-Demand	Anodyne	ROCK1	20	41
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852482004	GG	On-Demand	Anodyne	ROCK2	15	41
COCCN(CCF)CCCn1c(O)nc2ccccc21	ZINC000852482008	CE	On-Demand	Anodyne	HRH1	19	40
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852482014	FE	On-Demand	Anodyne	CNR2	20	40
COCCN(CCF)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852482023	EH	On-Demand	Anodyne	PRNP	31	41
COCCN(CCF)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852482023	EH	On-Demand	Anodyne	KCNK3	133	47
COCCN(CCF)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852482023	EH	On-Demand	Anodyne	KCNK9	89	44
COCCN(CCF)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852482024	EH	On-Demand	Anodyne	PRNP	31	41
COCCN(CCF)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852482024	EH	On-Demand	Anodyne	KCNK3	133	47
COCCN(CCF)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852482024	EH	On-Demand	Anodyne	KCNK9	89	44
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000852482027	GF	On-Demand	Bother	CACNA1D	48	32
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000852482028	GF	On-Demand	Bother	CACNA1D	48	32
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852482029	ED	On-Demand	Anodyne	ENPP1	74	36
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852482029	ED	On-Demand	Anodyne	DRTS_TRYCR	45	32
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852482030	ED	On-Demand	Anodyne	ENPP1	74	36
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000852482030	ED	On-Demand	Anodyne	DRTS_TRYCR	45	32
COCCN(CCF)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1	ZINC000852482031	FG	On-Demand	Anodyne	CPT1A	94	42
COCCN(CCF)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1	ZINC000852482032	FG	On-Demand	Anodyne	CPT1A	94	42
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(Cl)cn1	ZINC000852482033	DD	On-Demand	Anodyne	F10	51	35
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(Cl)cn1	ZINC000852482033	DD	On-Demand	Anodyne	GCK	37	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(Cl)cn1	ZINC000852482034	DD	On-Demand	Anodyne	F10	51	35
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(Cl)cn1	ZINC000852482034	DD	On-Demand	Anodyne	GCK	37	40
COCCN(CCF)CC(=O)Nc1cccnc1Cl	ZINC000852482039	CD	On-Demand	Anodyne	G2YM83_BOTF4	68	34
COCCN(CCF)CC(=O)Nc1cccc(-c2csc(C)n2)c1	ZINC000852482040	FF	On-Demand	Anodyne	KISS1R	40	34
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852482041	EC	On-Demand	Anodyne	CA2	68	51
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852482041	EC	On-Demand	Anodyne	CA1	62	51
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852482041	EC	On-Demand	Anodyne	CA5B	59	37
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852482041	EC	On-Demand	Anodyne	CA4	89	51
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852482041	EC	On-Demand	Anodyne	CA5A	63	37
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000852482041	EC	On-Demand	Anodyne	CA12	27	42
COCCN(CCF)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852482042	EF	On-Demand	Anodyne	LCK	23	42
COCCN(CCF)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852482042	EF	On-Demand	Anodyne	CSNK1D	47	43
COCCN(CCF)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852482042	EF	On-Demand	Anodyne	PIK3CG	16	40
COCCN(CCF)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852482044	EF	On-Demand	Anodyne	LCK	23	42
COCCN(CCF)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852482044	EF	On-Demand	Anodyne	CSNK1D	47	43
COCCN(CCF)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1	ZINC000852482044	EF	On-Demand	Anodyne	PIK3CG	16	40
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852482045	EG	On-Demand	Clean	VHL	48	31
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccn1	ZINC000852482050	DG	On-Demand	Anodyne	KCNH2	43	42
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccn1	ZINC000852482050	DG	On-Demand	Anodyne	ACHP_LYMST	26	46
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccn1	ZINC000852482050	DG	On-Demand	Anodyne	Q8WSF8_APLCA	31	46
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccn1	ZINC000852482052	DG	On-Demand	Anodyne	KCNH2	43	42
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccn1	ZINC000852482052	DG	On-Demand	Anodyne	ACHP_LYMST	26	46
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccn1	ZINC000852482052	DG	On-Demand	Anodyne	Q8WSF8_APLCA	31	46
Cc1cccc(C(=O)NNC(=O)CN(C2CC2)[C@H](C)C#N)c1	ZINC000852482054	DD	On-Demand	Reactive	KCNK3	54	38
Cc1cccc(C(=O)NNC(=O)CN(C2CC2)[C@H](C)C#N)c1	ZINC000852482054	DD	On-Demand	Reactive	KCNK9	43	38
Cc1cccc(C(=O)NNC(=O)CN(C2CC2)[C@@H](C)C#N)c1	ZINC000852482055	DD	On-Demand	Reactive	KCNK3	54	38
Cc1cccc(C(=O)NNC(=O)CN(C2CC2)[C@@H](C)C#N)c1	ZINC000852482055	DD	On-Demand	Reactive	KCNK9	43	38
COCCN(CCF)[C@H](C(=O)NC1CC1)c1ccccc1	ZINC000852482062	CD	On-Demand	Anodyne	AMY2	45	31
COCCN(CCF)[C@@H](C(=O)NC1CC1)c1ccccc1	ZINC000852482063	CD	On-Demand	Anodyne	AMY2	45	31
CC(C)(C)C(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482065	FE	On-Demand	Reactive	KCNH2	49	54
CC(C)(C)C(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482065	FE	On-Demand	Reactive	GLRA1	42	33
CC(C)(C)C(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482065	FE	On-Demand	Reactive	ACHP_LYMST	24	40
CC(C)(C)C(=O)NNC(=O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482065	FE	On-Demand	Reactive	Q8WSF8_APLCA	30	40
CN(C)c1ccc(NC(=O)CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482068	GI	On-Demand	Anodyne	KCNH2	46	52
CN(C)c1ccc(NC(=O)CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482068	GI	On-Demand	Anodyne	LTA4H	52	40
CN(C)c1ccc(NC(=O)CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482068	GI	On-Demand	Anodyne	GLRA1	42	32
CN(C)c1ccc(NC(=O)CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482068	GI	On-Demand	Anodyne	ACHP_LYMST	26	41
CN(C)c1ccc(NC(=O)CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482068	GI	On-Demand	Anodyne	Q8WSF8_APLCA	30	41
ICCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482070	FG	On-Demand	Reactive	CHRM1	20	40
ICCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482070	FG	On-Demand	Reactive	SLC6A3	23	63
ICCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482070	FG	On-Demand	Reactive	KCNH2	48	51
ICCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482070	FG	On-Demand	Reactive	GLRA1	41	31
ICCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482070	FG	On-Demand	Reactive	ACHP_LYMST	35	44
ICCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482070	FG	On-Demand	Reactive	Q8WSF8_APLCA	31	44
C[C@H](C#N)N(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)C1CC1	ZINC000852482077	ED	On-Demand	Mild	TNKS	44	32
C[C@@H](C#N)N(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)C1CC1	ZINC000852482078	ED	On-Demand	Mild	TNKS	44	32
C[C@H](C#N)N(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)C1CC1	ZINC000852482079	ED	On-Demand	Mild	TNKS	44	32
C[C@@H](C#N)N(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)C1CC1	ZINC000852482080	ED	On-Demand	Mild	TNKS	44	32
C#CCN1CCN(C(=O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)CC1	ZINC000852482081	FD	On-Demand	Mild	KCNH2	45	47
O=[N+]([O-])c1cccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482082	FH	On-Demand	Bother	CHRM1	15	46
O=[N+]([O-])c1cccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482082	FH	On-Demand	Bother	SLC6A3	15	56
O=[N+]([O-])c1cccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482082	FH	On-Demand	Bother	KCNH2	46	44
O=[N+]([O-])c1cccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482082	FH	On-Demand	Bother	ACHP_LYMST	22	52
O=[N+]([O-])c1cccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482082	FH	On-Demand	Bother	Q8WSF8_APLCA	38	52
O=[N+]([O-])c1cccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482083	FH	On-Demand	Bother	CHRM1	15	46
O=[N+]([O-])c1cccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482083	FH	On-Demand	Bother	SLC6A3	15	56
O=[N+]([O-])c1cccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482083	FH	On-Demand	Bother	KCNH2	46	44
O=[N+]([O-])c1cccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482083	FH	On-Demand	Bother	ACHP_LYMST	22	52
O=[N+]([O-])c1cccc([C@H](O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482083	FH	On-Demand	Bother	Q8WSF8_APLCA	38	52
CC(C)(C)OC(=O)NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482093	FH	On-Demand	Anodyne	CHRM1	20	40
CC(C)(C)OC(=O)NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482093	FH	On-Demand	Anodyne	SLC6A3	25	48
CC(C)(C)OC(=O)NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482093	FH	On-Demand	Anodyne	KCNH2	48	50
CC(C)(C)OC(=O)NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482093	FH	On-Demand	Anodyne	GLRA1	43	33
CC(C)(C)OC(=O)NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482093	FH	On-Demand	Anodyne	ACHP_LYMST	27	43
CC(C)(C)OC(=O)NCCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482093	FH	On-Demand	Anodyne	Q8WSF8_APLCA	30	43
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	CA2	60	43
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	CA1	54	41
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	CA7	38	43
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	CA13	17	41
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	CA4	41	43
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	CA12	39	43
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	CA9	47	43
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	CAH_METTE	19	41
C[C@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482101	CD	On-Demand	Mild	NCE103	17	43
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	CA2	60	43
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	CA1	54	41
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	CA7	38	43
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	CA13	17	41
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	CA4	41	43
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	CA12	39	43
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	CA9	47	43
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	CAH_METTE	19	41
C[C@@H](C#N)N(CCc1ccc(S(N)(=O)=O)cc1)C1CC1	ZINC000852482102	CD	On-Demand	Mild	NCE103	17	43
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(OC)cc1O	ZINC000852482105	CG	On-Demand	Clean	ANPEP	15	42
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(OC)cc1O	ZINC000852482105	CG	On-Demand	Clean	MTNR1A	54	37
CCC(C)(C)[C@@H](C)NC(=O)NCc1ccc(OC)cc1O	ZINC000852482105	CG	On-Demand	Clean	MTNR1B	46	37
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	CHRM2	30	48
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	CHRM1	37	40
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	KCNH2	55	54
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	CHRM4	38	40
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	CHRM5	38	40
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	CHRM3	42	48
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	AMY2	53	31
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	GLRA1	43	34
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	ACHP_LYMST	27	40
NC(=O)[C@@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482111	FE	On-Demand	Anodyne	Q8WSF8_APLCA	30	40
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	CHRM2	30	48
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	CHRM1	37	40
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	KCNH2	55	54
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	CHRM4	38	40
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	CHRM5	38	40
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	CHRM3	42	48
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	AMY2	53	31
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	GLRA1	43	34
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	ACHP_LYMST	27	40
NC(=O)[C@](O)(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1ccccc1	ZINC000852482112	FE	On-Demand	Anodyne	Q8WSF8_APLCA	30	40
Cc1oncc1CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482113	CH	On-Demand	Anodyne	KCNH2	48	49
O=C1CC[C@@H](N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C(=O)N1	ZINC000852482116	DD	On-Demand	Anodyne	KCNH2	40	44
O=C1CC[C@H](N2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)C(=O)N1	ZINC000852482117	DD	On-Demand	Anodyne	KCNH2	40	44
COc1ccc2c(CN3[C@H]4CC[C@H]3CC(Oc3ccccc3)C4)cc(=O)oc2c1	ZINC000852482140	GI	On-Demand	Anodyne	CYP19A1	17	51
COc1ccc2c(CN3[C@H]4CC[C@H]3CC(Oc3ccccc3)C4)cc(=O)oc2c1	ZINC000852482140	GI	On-Demand	Anodyne	CYP11B1	18	46
COc1ccc2c(CN3[C@H]4CC[C@H]3CC(Oc3ccccc3)C4)cc(=O)oc2c1	ZINC000852482140	GI	On-Demand	Anodyne	MAOB	34	44
COc1ccc2c(CN3[C@H]4CC[C@H]3CC(Oc3ccccc3)C4)cc(=O)oc2c1	ZINC000852482140	GI	On-Demand	Anodyne	KCNH2	46	45
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)C1CC1	ZINC000852482141	ED	On-Demand	Reactive	KCNH2	49	56
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)C1CC1	ZINC000852482141	ED	On-Demand	Reactive	LTA4H	19	40
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)C1CC1	ZINC000852482141	ED	On-Demand	Reactive	ACHP_LYMST	26	40
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)C1CC1	ZINC000852482141	ED	On-Demand	Reactive	Q8WSF8_APLCA	31	40
C[C@@H](C#N)N(C[C@H](O)c1cccnc1)C1CC1	ZINC000852482142	BD	On-Demand	Mild	CYP51A1	17	41
C[C@@H](C#N)N(C[C@@H](O)c1cccnc1)C1CC1	ZINC000852482143	BD	On-Demand	Mild	CYP51A1	17	41
C[C@H](C#N)N(C[C@H](O)c1cccnc1)C1CC1	ZINC000852482144	BD	On-Demand	Mild	CYP51A1	17	41
C[C@H](C#N)N(C[C@@H](O)c1cccnc1)C1CC1	ZINC000852482145	BD	On-Demand	Mild	CYP51A1	17	41
C[C@H](C#N)N(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1	ZINC000852482152	DG	On-Demand	Mild	LUCI_PHOPY	80	47
C[C@H](C#N)N(C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1	ZINC000852482153	DG	On-Demand	Mild	LUCI_PHOPY	80	47
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482172	IE	On-Demand	Anodyne	CA2	54	43
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482172	IE	On-Demand	Anodyne	CA1	34	43
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482172	IE	On-Demand	Anodyne	CA4	32	43
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482173	IE	On-Demand	Anodyne	CA2	54	43
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482173	IE	On-Demand	Anodyne	CA1	34	43
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482173	IE	On-Demand	Anodyne	CA4	32	43
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482174	IE	On-Demand	Anodyne	CA2	54	43
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482174	IE	On-Demand	Anodyne	CA1	34	43
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482174	IE	On-Demand	Anodyne	CA4	32	43
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482175	IE	On-Demand	Anodyne	CA2	54	43
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482175	IE	On-Demand	Anodyne	CA1	34	43
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000852482175	IE	On-Demand	Anodyne	CA4	32	43
COCCN(CCF)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852482178	FF	On-Demand	Anodyne	P2RY12	53	36
COCCN(CCF)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852482178	FF	On-Demand	Anodyne	GRIN2B	48	49
COCCN(CCF)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852482178	FF	On-Demand	Anodyne	PREP	23	40
COCCN(CCF)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852482178	FF	On-Demand	Anodyne	AMY2	53	32
COCCN(CCF)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852482178	FF	On-Demand	Anodyne	TGM2	28	42
COCCN(CCF)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852482178	FF	On-Demand	Anodyne	F13A1	35	42
COCCN(CCF)CC1CCN(C(=O)OCc2ccccc2)CC1	ZINC000852482178	FF	On-Demand	Anodyne	SLC12A5	45	34
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA2	80	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA6	16	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA1	70	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA7	50	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA13	18	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA4	56	44
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA12	50	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA9	59	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CAH_METTE	25	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CYNT	30	43
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	NCE103	19	48
COCCN(CCF)CCc1ccc(S(N)(=O)=O)cc1	ZINC000852482214	DC	On-Demand	Anodyne	CA15	15	48
C[C@@H](C#N)N(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1	ZINC000852482247	DG	On-Demand	Mild	LUCI_PHOPY	80	47
C[C@@H](C#N)N(C[C@H]1CC(c2ccc(Cl)cc2)=NO1)C1CC1	ZINC000852482248	DG	On-Demand	Mild	LUCI_PHOPY	80	47
COCCN(CCF)CC(=O)Nc1cccc(CN2CCSCC2)c1	ZINC000852482254	FE	On-Demand	Anodyne	HRH2	39	42
CCn1nc(C)c(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852482261	EG	On-Demand	Anodyne	KCNH2	42	43
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1cccnc1Cl	ZINC000852482271	FH	On-Demand	Anodyne	KCNH2	45	55
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Nc1cccnc1Cl	ZINC000852482271	FH	On-Demand	Anodyne	G2YM83_BOTF4	58	33
O=S(=O)(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Cc1ccccc1	ZINC000852482276	GH	On-Demand	Anodyne	CHRM1	20	44
O=S(=O)(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Cc1ccccc1	ZINC000852482276	GH	On-Demand	Anodyne	SLC6A3	28	51
O=S(=O)(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Cc1ccccc1	ZINC000852482276	GH	On-Demand	Anodyne	KCNH2	50	55
O=S(=O)(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Cc1ccccc1	ZINC000852482276	GH	On-Demand	Anodyne	ACHP_LYMST	32	48
O=S(=O)(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)Cc1ccccc1	ZINC000852482276	GH	On-Demand	Anodyne	Q8WSF8_APLCA	36	48
FC(F)(F)c1cncc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482277	FJ	On-Demand	Anodyne	KCNH2	46	49
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852482298	EF	On-Demand	Anodyne	KCNQ2	42	47
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852482301	EF	On-Demand	Anodyne	KCNQ2	42	47
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	F2	28	46
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	PRSS1	15	46
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	ACE	49	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	FKBP1A	29	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	GHRHR	59	35
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	GRIN2B	53	48
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	ELANE	40	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	TACR1	15	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	PGC	44	32
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CTRA_BOVIN	53	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	KLK3	75	35
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CTSB	74	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	PAPA1_CARPA	65	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CYSP_TRYCR	64	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CTSG	42	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CTSK	59	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CTSL	57	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CACNA1B	52	39
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	PREP	22	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	AMY2	45	31
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CAPNS1	85	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CELA2A	52	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	REN	104	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CTSS	48	45
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	GHSR	43	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CAPN1	110	49
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CAPN2	155	49
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	TGM2	38	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	KLK5	41	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	TPSAB1	17	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	NPR	84	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	CACNA1I	48	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	F13A1	24	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	PSMB5	47	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852482302	GI	On-Demand	Anodyne	Q6PRC7_IXORI	57	37
COCCN(CCF)CC(=O)Nc1nc2c(s1)CCC2	ZINC000852482303	DD	On-Demand	Anodyne	SLC27A1	32	42
COCCN(CCF)CCC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852482305	EF	On-Demand	Anodyne	ENPP1	67	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCc2cc(Cl)nnc2C1	ZINC000852482314	DG	On-Demand	Anodyne	MAPK1	57	43
COCCN(CCF)CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482321	FD	On-Demand	Anodyne	MTOR	49	36
COCCN(CCF)CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482321	FD	On-Demand	Anodyne	EPHX2	17	40
COCCN(CCF)CCC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482321	FD	On-Demand	Anodyne	STAT6	51	32
COCCN(CCF)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000852482323	GF	On-Demand	Bother	CACNA1D	50	32
COCCN(CCF)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000852482323	GF	On-Demand	Bother	ROCK1	18	40
COCCN(CCF)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1	ZINC000852482333	FF	On-Demand	Anodyne	ROCK1	21	43
COCCN(CCF)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1	ZINC000852482333	FF	On-Demand	Anodyne	HDAC9	15	50
COCCN(CCF)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852482336	FC	On-Demand	Anodyne	CA2	15	51
COCCN(CCF)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852482336	FC	On-Demand	Anodyne	CA7	25	51
COCCN(CCF)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21	ZINC000852482336	FC	On-Demand	Anodyne	EIF2AK3	56	31
COCCN(CCF)CCOc1cccc(OC)c1	ZINC000852482340	CD	On-Demand	Anodyne	MTNR1B	15	43
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1cccs1	ZINC000852482342	GF	On-Demand	Reactive	KCNH2	46	51
O=C(CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)NNC(=O)c1cccs1	ZINC000852482342	GF	On-Demand	Reactive	GLRA1	15	43
COCCN(CCF)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F	ZINC000852482368	FD	On-Demand	Anodyne	CA4	22	48
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1	ZINC000852482378	FG	On-Demand	Anodyne	ROCK1	22	45
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1	ZINC000852482378	FG	On-Demand	Anodyne	ROCK2	15	45
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1	ZINC000852482380	FG	On-Demand	Anodyne	ROCK1	22	45
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1	ZINC000852482380	FG	On-Demand	Anodyne	ROCK2	15	45
COCCN(CCF)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852482394	EE	On-Demand	Bother	COLA	119	45
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852482396	EE	On-Demand	Bother	COLA	119	45
COCCN(CCF)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000852482399	GC	On-Demand	Anodyne	CPT1B	43	33
COCCN(CCF)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1	ZINC000852482399	GC	On-Demand	Anodyne	ENPP1	49	30
CC(C)(C)OC(=O)NC[C@](C)(O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482406	GG	On-Demand	Anodyne	KCNH2	47	44
CC(C)(C)OC(=O)NC[C@@](C)(O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482407	GG	On-Demand	Anodyne	KCNH2	47	44
Fc1ccc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)nc1	ZINC000852482411	DH	On-Demand	Anodyne	KCNH2	44	45
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1	ZINC000852482412	FI	On-Demand	Anodyne	REN	48	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CCNC(=O)OC(C)(C)C)C1	ZINC000852482414	FI	On-Demand	Anodyne	REN	48	38
COCCN(CCF)Cc1csc(-c2ccc(C(N)=O)cc2)n1	ZINC000852482421	EE	On-Demand	Anodyne	AVPR1B	15	50
Cn1ncc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852482423	CE	On-Demand	Anodyne	KCNH2	45	45
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482426	FD	On-Demand	Anodyne	PIK3CA	35	41
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482426	FD	On-Demand	Anodyne	MTOR	66	41
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482426	FD	On-Demand	Anodyne	EPHX2	15	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482426	FD	On-Demand	Anodyne	PIK3CG	31	41
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482426	FD	On-Demand	Anodyne	STAT6	52	34
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482428	FD	On-Demand	Anodyne	PIK3CA	35	41
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482428	FD	On-Demand	Anodyne	MTOR	66	41
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482428	FD	On-Demand	Anodyne	EPHX2	15	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482428	FD	On-Demand	Anodyne	PIK3CG	31	41
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482428	FD	On-Demand	Anodyne	STAT6	52	34
COCCN(CCF)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852482432	FD	On-Demand	Anodyne	SIGMAR1	16	46
COCCN(CCF)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000852482432	FD	On-Demand	Anodyne	CACNA1G	15	40
COCCN(CCF)Cc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852482442	EG	On-Demand	Anodyne	CPT1A	44	30
COCCN(CCF)Cc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852482442	EG	On-Demand	Anodyne	TAAR1	45	38
COCCN(CCF)Cc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852482442	EG	On-Demand	Anodyne	KCNK3	125	44
COCCN(CCF)Cc1cccc(C(=O)Nc2ccccc2)c1	ZINC000852482442	EG	On-Demand	Anodyne	KCNK9	84	42
COCCN(CCF)CC(=O)NC(=O)Nc1ccccc1	ZINC000852482445	CD	On-Demand	Anodyne	LPL	21	44
COCCN(CCF)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852482449	DF	On-Demand	Anodyne	ACE	21	43
COCCN(CCF)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C	ZINC000852482450	DF	On-Demand	Anodyne	ACE	21	43
COCCN(CCF)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C	ZINC000852482451	DF	On-Demand	Anodyne	ACE	21	43
C[S@@](=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482530	CE	On-Demand	Anodyne	SLC6A3	24	59
C[S@@](=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482530	CE	On-Demand	Anodyne	KCNH2	50	52
C[S@@](=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482530	CE	On-Demand	Anodyne	GLRA1	44	33
C[S@@](=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482530	CE	On-Demand	Anodyne	ACHP_LYMST	34	45
C[S@@](=O)CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482530	CE	On-Demand	Anodyne	Q8WSF8_APLCA	35	45
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	SLC6A3	22	50
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	KCNH2	50	51
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	HRH3	19	43
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	CPT1A	68	35
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	CPT2	41	34
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	PREP	66	42
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	GLRA1	44	33
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	ACHP_LYMST	29	44
O=C(CCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)N1CCCC1	ZINC000852482532	EG	On-Demand	Anodyne	Q8WSF8_APLCA	32	44
C#CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482545	CG	On-Demand	Mild	SLC6A3	15	58
C#CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482545	CG	On-Demand	Mild	KCNH2	46	48
C#CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482545	CG	On-Demand	Mild	ACHP_LYMST	30	45
C#CCCN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482545	CG	On-Demand	Mild	Q8WSF8_APLCA	29	41
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482548	DG	On-Demand	Anodyne	CHRM1	15	41
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482548	DG	On-Demand	Anodyne	SLC6A3	19	52
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482548	DG	On-Demand	Anodyne	KCNH2	43	42
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482548	DG	On-Demand	Anodyne	GLRA1	31	41
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482548	DG	On-Demand	Anodyne	ACHP_LYMST	37	54
O[C@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482548	DG	On-Demand	Anodyne	Q8WSF8_APLCA	38	54
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482549	DG	On-Demand	Anodyne	CHRM1	15	41
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482549	DG	On-Demand	Anodyne	SLC6A3	19	52
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482549	DG	On-Demand	Anodyne	KCNH2	43	42
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482549	DG	On-Demand	Anodyne	GLRA1	31	41
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482549	DG	On-Demand	Anodyne	ACHP_LYMST	37	54
O[C@@H](CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)c1cccnc1	ZINC000852482549	DG	On-Demand	Anodyne	Q8WSF8_APLCA	38	54
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	CA2	72	44
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	SLC6A3	18	51
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	KCNH2	50	60
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	CA1	66	44
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	CA7	54	44
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	CA4	45	40
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	CA12	51	44
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	CA9	66	44
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	ACHP_LYMST	32	51
NS(=O)(=O)c1ccc(CCN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)cc1	ZINC000852482556	GF	On-Demand	Anodyne	Q8WSF8_APLCA	36	51
O=S1(=O)N=C(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c2ccccc21	ZINC000852482557	GG	On-Demand	Anodyne	KCNH2	44	45
COCCN(CCF)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C	ZINC000852482559	DF	On-Demand	Anodyne	ACE	21	43
COCCN(CCF)CCC(=O)Nc1ccc2c(c1)OCO2	ZINC000852482560	DD	On-Demand	Anodyne	DYRK2	55	38
COCCN(CCF)CCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852482563	EF	On-Demand	Anodyne	LCK	25	43
COCCN(CCF)CCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852482563	EF	On-Demand	Anodyne	BTK	20	43
COCCN(CCF)CCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852482563	EF	On-Demand	Anodyne	KCNK3	66	44
COCCN(CCF)CCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852482563	EF	On-Demand	Anodyne	KCNK9	58	35
COCCN(CCF)CC(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000852482567	ED	On-Demand	Anodyne	KCNK3	83	37
COCCN(CCF)CC(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000852482567	ED	On-Demand	Anodyne	KCNK9	52	33
COC(=O)Cn1cc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)nn1	ZINC000852482575	FE	On-Demand	Anodyne	KCNH2	50	48
Cc1cccc(C(=O)NNC(=O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482576	GF	On-Demand	Reactive	KCNH2	57	59
Cc1cccc(C(=O)NNC(=O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482576	GF	On-Demand	Reactive	ACHP_LYMST	23	42
Cc1cccc(C(=O)NNC(=O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482576	GF	On-Demand	Reactive	Q8WSF8_APLCA	39	42
Cc1cccc(C(=O)NNC(=O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482576	GF	On-Demand	Reactive	KCNK3	55	39
Cc1cccc(C(=O)NNC(=O)CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)c1	ZINC000852482576	GF	On-Demand	Reactive	KCNK9	43	39
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	F2	55	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	PLG	32	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	PRSS1	20	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	ACE	53	47
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	FKBP1A	38	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	SSTR2	42	36
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	GHRHR	58	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	GRIN2B	25	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	ELANE	37	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	PGC	59	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CMA1	39	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CTRA_BOVIN	68	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	KLK3	76	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CTSB	70	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	PAPA1_CARPA	66	35
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	TRY1_BOVIN	56	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CYSP_TRYCR	61	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	NTSR1	55	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CTSG	46	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CTSK	66	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CTSL	58	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CACNA1B	60	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	PREP	41	43
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	AMY2	45	31
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CAPNS1	74	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CELA2A	57	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	REN	140	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CTSS	53	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CAPN1	98	48
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CTRC	16	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CAPN2	141	48
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	CTSE	41	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	PLAU	17	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	TGM2	35	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	KLK5	42	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	KLK1	24	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	FPR1	35	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	NPR	76	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	F13A1	19	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	PSMB5	45	35
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	BIRC2	40	43
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	BRCA1	43	31
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	Q6PRC7_IXORI	54	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482578	GI	On-Demand	Anodyne	TMPRSS11D	49	37
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	F2	55	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	PLG	32	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	PRSS1	20	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	ACE	53	47
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	FKBP1A	38	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	SSTR2	42	36
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	GHRHR	58	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	GRIN2B	25	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	ELANE	37	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	PGC	59	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CMA1	39	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CTRA_BOVIN	68	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	KLK3	76	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CTSB	70	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	PAPA1_CARPA	66	35
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	TRY1_BOVIN	56	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CYSP_TRYCR	61	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	NTSR1	55	34
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CTSG	46	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CTSK	66	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CTSL	58	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CACNA1B	60	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	PREP	41	43
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	AMY2	45	31
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CAPNS1	74	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CELA2A	57	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	REN	140	42
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CTSS	53	44
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CAPN1	98	48
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CTRC	16	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CAPN2	141	48
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	CTSE	41	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	PLAU	17	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	TGM2	35	41
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	KLK5	42	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	KLK1	24	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	FPR1	35	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	NPR	76	38
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	F13A1	19	40
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	PSMB5	45	35
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	BIRC2	40	43
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	BRCA1	43	31
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	Q6PRC7_IXORI	54	33
CCC(C)(C)[C@@H](C)NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852482579	GI	On-Demand	Anodyne	TMPRSS11D	49	37
CN(C[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(=O)OC(C)(C)C	ZINC000852482592	GG	On-Demand	Anodyne	KCNH2	44	42
CN(C[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(=O)OC(C)(C)C	ZINC000852482592	GG	On-Demand	Anodyne	GLRA1	41	32
CN(C[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(=O)OC(C)(C)C	ZINC000852482592	GG	On-Demand	Anodyne	ACHP_LYMST	20	42
CN(C[C@H](O)CN1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2)C(=O)OC(C)(C)C	ZINC000852482592	GG	On-Demand	Anodyne	Q8WSF8_APLCA	34	42
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	CHRM2	15	40
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	CHRM1	20	40
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	ACE	15	40
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	SLC6A3	24	51
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	KCNH2	44	43
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	CHRM4	24	40
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	CHRM5	26	40
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	CHRM3	17	40
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	GLRA1	45	34
CCC(=O)NNC(=O)[C@@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482602	EE	On-Demand	Reactive	BIRC8	44	31
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	CHRM2	15	40
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	CHRM1	20	40
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	ACE	15	40
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	SLC6A3	24	51
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	KCNH2	44	43
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	CHRM4	24	40
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	CHRM5	26	40
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	CHRM3	17	40
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	GLRA1	45	34
CCC(=O)NNC(=O)[C@H](C)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2	ZINC000852482603	EE	On-Demand	Reactive	BIRC8	44	31
Cc1cc(O)nc(CN2[C@H]3CC[C@H]2CC(Oc2ccccc2)C3)n1	ZINC000852482608	EG	On-Demand	Anodyne	KCNH2	49	47
COCCN(CCF)[C@@H](C(=O)OC)c1cccnc1	ZINC000852482619	CD	On-Demand	Anodyne	KCNA5	24	43
COCCN(CCF)[C@H](C(=O)OC)c1cccnc1	ZINC000852482620	CD	On-Demand	Anodyne	KCNA5	24	43
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000852482634	EE	On-Demand	Anodyne	KIT	24	44
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000852482634	EE	On-Demand	Anodyne	BRAF	21	44
COCCN(CCF)[C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000852482635	EE	On-Demand	Anodyne	KIT	24	44
COCCN(CCF)[C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000852482635	EE	On-Demand	Anodyne	BRAF	21	44
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482639	EC	On-Demand	Anodyne	CA2	55	53
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482639	EC	On-Demand	Anodyne	CA1	44	46
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482639	EC	On-Demand	Anodyne	CA4	61	53
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482639	EC	On-Demand	Anodyne	CA5A	43	32
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482639	EC	On-Demand	Anodyne	CA12	24	46
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482639	EC	On-Demand	Anodyne	CA9	36	46
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482640	EC	On-Demand	Anodyne	CA2	55	53
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482640	EC	On-Demand	Anodyne	CA1	44	46
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482640	EC	On-Demand	Anodyne	CA4	61	53
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482640	EC	On-Demand	Anodyne	CA5A	43	32
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482640	EC	On-Demand	Anodyne	CA12	24	46
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482640	EC	On-Demand	Anodyne	CA9	36	46
COCCN(CCF)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852482644	FD	On-Demand	Anodyne	MC4R	35	42
COCCN(CCF)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1	ZINC000852482645	FD	On-Demand	Anodyne	MC4R	35	42
COCCN(CCF)CC(=O)Nc1nccs1	ZINC000852482654	CC	On-Demand	Anodyne	MAP1	131	42
COCCN(CCF)CC(=O)Nc1nccs1	ZINC000852482654	CC	On-Demand	Anodyne	GCK	15	40
COCCN(CCF)CC(=O)Nc1ccc(Cl)cn1	ZINC000852482655	CD	On-Demand	Anodyne	F10	52	35
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852482660	GG	On-Demand	Anodyne	ROCK1	22	45
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852482660	GG	On-Demand	Anodyne	ROCK2	17	45
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852482661	GG	On-Demand	Anodyne	ROCK1	22	45
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852482661	GG	On-Demand	Anodyne	ROCK2	17	45
COCCN(CCF)Cc1csc(-c2ccc(C(=O)OC)cc2)n1	ZINC000852482663	FG	On-Demand	Anodyne	AVPR1B	15	41
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	CHRM2	20	43
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	CHRM1	20	41
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	DRD2	23	53
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	DRD4	51	53
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	ACHE	36	45
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	DRD3	18	52
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	KCNH2	16	41
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	HTR4	32	41
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	CHRM3	26	43
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	LTA4H	17	43
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	SIGMAR1	48	51
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	SSTR5	46	34
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	CCR3	37	48
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	UTS2R	26	45
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	MLNR	41	38
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	CCR2	20	45
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	SLC6A5	24	40
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	MCHR1	47	48
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	CACNA1G	23	40
COCCN(CCF)[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482669	FD	On-Demand	Anodyne	BIRC2	49	46
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	CHRM2	20	43
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	CHRM1	20	41
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	DRD2	23	53
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	DRD4	51	53
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	ACHE	36	45
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	DRD3	18	52
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	KCNH2	16	41
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	HTR4	32	41
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	CHRM3	26	43
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	LTA4H	17	43
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	SIGMAR1	48	51
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	SSTR5	46	34
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	CCR3	37	48
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	UTS2R	26	45
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	MLNR	41	38
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	CCR2	20	45
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	SLC6A5	24	40
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	MCHR1	47	48
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	CACNA1G	23	40
COCCN(CCF)[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482670	FD	On-Demand	Anodyne	BIRC2	49	46
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	CHRM2	20	43
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	CHRM1	20	41
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	DRD2	23	53
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	DRD4	51	53
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	ACHE	36	45
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	DRD3	18	52
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	KCNH2	16	41
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	HTR4	32	41
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	CHRM3	26	43
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	LTA4H	17	43
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	SIGMAR1	48	51
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	SSTR5	46	34
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	CCR3	37	48
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	UTS2R	26	45
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	MLNR	41	38
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	CCR2	20	45
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	SLC6A5	24	40
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	MCHR1	47	48
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	CACNA1G	23	40
COCCN(CCF)[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852482671	FD	On-Demand	Anodyne	BIRC2	49	46
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	CHRM2	20	43
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	CHRM1	20	41
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	DRD2	23	53
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	DRD4	51	53
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	ACHE	36	45
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	DRD3	18	52
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	KCNH2	16	41
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	HTR4	32	41
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	CHRM3	26	43
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	LTA4H	17	43
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	SIGMAR1	48	51
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	SSTR5	46	34
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	CCR3	37	48
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	UTS2R	26	45
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	MLNR	41	38
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	CCR2	20	45
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	SLC6A5	24	40
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	MCHR1	47	48
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	CACNA1G	23	40
COCCN(CCF)[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852482672	FD	On-Demand	Anodyne	BIRC2	49	46
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	CHRM2	22	44
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	CHRM1	22	44
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	DRD2	30	52
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	DRD4	58	51
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	ACHE	48	49
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	DRD3	20	50
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	SLC6A3	23	43
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	KCNH2	17	46
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	HTR4	39	48
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	CHRM3	29	44
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	LTA4H	21	42
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	SIGMAR1	61	55
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	SSTR5	61	41
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	BCHE	15	40
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	CCR3	39	44
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	UTS2R	17	42
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	MLNR	23	42
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	SLC6A5	29	46
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	BACE1	18	43
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	PDK1	33	40
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	MCHR1	59	54
COCCN(CCF)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482675	FE	On-Demand	Anodyne	CACNA1G	37	43
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	CHRM2	22	44
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	CHRM1	22	44
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	DRD2	30	52
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	DRD4	58	51
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	ACHE	48	49
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	DRD3	20	50
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	SLC6A3	23	43
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	KCNH2	17	46
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	HTR4	39	48
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	CHRM3	29	44
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	LTA4H	21	42
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	SIGMAR1	61	55
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	SSTR5	61	41
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	BCHE	15	40
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	CCR3	39	44
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	UTS2R	17	42
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	MLNR	23	42
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	SLC6A5	29	46
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	BACE1	18	43
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	PDK1	33	40
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	MCHR1	59	54
COCCN(CCF)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000852482676	FE	On-Demand	Anodyne	CACNA1G	37	43
COCCN(CCF)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852482678	CD	On-Demand	Bother	CACNA1C	47	37
COCCN(CCF)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852482678	CD	On-Demand	Bother	CACNA1D	71	36
COCCN(CCF)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852482679	CD	On-Demand	Bother	CACNA1C	47	37
COCCN(CCF)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000852482679	CD	On-Demand	Bother	CACNA1D	71	36
COCCN(CCF)CC(=O)Nc1cccc(C(=O)OC)c1	ZINC000852482686	DD	On-Demand	Anodyne	KCNK3	102	35
COCCN(CCF)CC(=O)Nc1cccc(C(=O)OC)c1	ZINC000852482686	DD	On-Demand	Anodyne	KCNK9	66	34
COCCN(CCF)CC(=O)Nc1ccccc1C(N)=O	ZINC000852482687	CC	On-Demand	Anodyne	CA4	17	42
COCCN(CCF)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000852482688	EE	On-Demand	Bother	CACNA1D	40	32
COCCN(CCF)CCC(=O)Nc1ccc(C(N)=O)cc1	ZINC000852482691	DD	On-Demand	Anodyne	ACR	44	33
COCCN(CCF)[C@@H](C(=O)OC)c1ccccc1	ZINC000852482692	CD	On-Demand	Anodyne	AMY2	52	31
COCCN(CCF)[C@H](C(=O)OC)c1ccccc1	ZINC000852482693	CD	On-Demand	Anodyne	AMY2	52	31
COCCN(CCF)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482703	ED	On-Demand	Anodyne	MTOR	52	37
COCCN(CCF)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482703	ED	On-Demand	Anodyne	EPHX2	23	43
COCCN(CCF)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852482703	ED	On-Demand	Anodyne	STAT6	52	32
COCCN(CCF)CC(=O)Nc1ccc(Br)cc1Cl	ZINC000852482706	FF	On-Demand	Anodyne	CA4	18	44
COCCN(CCF)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000852482714	EE	On-Demand	Bother	CACNA1D	40	32
COCCN(CCF)[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852482720	EF	On-Demand	Anodyne	CSNK1D	43	45
COCCN(CCF)[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852482720	EF	On-Demand	Anodyne	BCL2L1	50	31
COCCN(CCF)[C@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852482720	EF	On-Demand	Anodyne	TMPRSS6	40	32
COCCN(CCF)[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852482721	EF	On-Demand	Anodyne	CSNK1D	43	45
COCCN(CCF)[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852482721	EF	On-Demand	Anodyne	BCL2L1	50	31
COCCN(CCF)[C@@H](C)C(=O)Nc1nc2ccccc2s1	ZINC000852482721	EF	On-Demand	Anodyne	TMPRSS6	40	32
COCCN(CCF)Cc1ccc(-n2ccnc2)cc1	ZINC000852482722	CE	On-Demand	Anodyne	CYP2C19	18	44
COCCN(CCF)CC(=O)c1cc(C)n(Cc2ccccc2)c1C	ZINC000852482732	EG	On-Demand	Anodyne	PLA2G2A	64	35
COCCN(CCF)CCC(=O)Nc1ccc(F)cc1	ZINC000852482733	CE	On-Demand	Anodyne	FUCA1	19	42
COCCN(CCF)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000852482741	FF	On-Demand	Mild	VIPR1	26	42
COCCN(CCF)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000852482742	FF	On-Demand	Mild	VIPR1	26	42
COCCN(CCF)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	ZINC000852482743	GD	On-Demand	Anodyne	DRD4	15	42
COCCN(CCF)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	ZINC000852482743	GD	On-Demand	Anodyne	CCR8	81	41
COCCN(CCF)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482746	GC	On-Demand	Anodyne	CA2	63	40
COCCN(CCF)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482746	GC	On-Demand	Anodyne	CA1	45	40
COCCN(CCF)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482746	GC	On-Demand	Anodyne	CA4	50	40
COCCN(CCF)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482747	GC	On-Demand	Anodyne	CA2	63	40
COCCN(CCF)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482747	GC	On-Demand	Anodyne	CA1	45	40
COCCN(CCF)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482747	GC	On-Demand	Anodyne	CA4	50	40
COCCN(CCF)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482748	GC	On-Demand	Anodyne	CA2	63	40
COCCN(CCF)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482748	GC	On-Demand	Anodyne	CA1	45	40
COCCN(CCF)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482748	GC	On-Demand	Anodyne	CA4	50	40
COCCN(CCF)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482749	GC	On-Demand	Anodyne	CA2	63	40
COCCN(CCF)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482749	GC	On-Demand	Anodyne	CA1	45	40
COCCN(CCF)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852482749	GC	On-Demand	Anodyne	CA4	50	40
COCCN(CCF)CC(=O)Nc1cc(C)nn1-c1ccccc1F	ZINC000852482760	FE	On-Demand	Anodyne	CTSA	41	38
COCCN(CCF)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000852482776	FD	On-Demand	Anodyne	VIPR1	26	42
COCCN(CCF)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852482777	FF	On-Demand	Anodyne	ROCK1	21	43
COCCN(CCF)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1	ZINC000852482777	FF	On-Demand	Anodyne	ROCK2	15	43
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1	ZINC000852482779	GF	On-Demand	Anodyne	KCNK3	47	35
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1	ZINC000852482779	GF	On-Demand	Anodyne	KCNK9	49	35
COCCN(CCF)[C@@H](C)C(=O)Nc1cccnc1Cl	ZINC000852482780	DD	On-Demand	Anodyne	G2YM83_BOTF4	68	34
COCCN(CCF)[C@H](C)C(=O)Nc1cccnc1Cl	ZINC000852482781	DD	On-Demand	Anodyne	G2YM83_BOTF4	68	34
COCCN(CCF)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852482785	FD	On-Demand	Anodyne	CA2	21	46
COCCN(CCF)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852482785	FD	On-Demand	Anodyne	CA1	19	46
COCCN(CCF)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1	ZINC000852482785	FD	On-Demand	Anodyne	CA4	30	46
COCCN(CCF)CCC(=O)Nc1cccc(Br)c1	ZINC000852482787	EF	On-Demand	Anodyne	EGFR	23	44
COCCN(CCF)CCC(=O)Nc1cccc(Br)c1	ZINC000852482787	EF	On-Demand	Anodyne	HDAC10	16	40
COCCN(CCF)CCC(=O)Nc1cccc(Br)c1	ZINC000852482787	EF	On-Demand	Anodyne	HDAC3	18	41
COCCN(CCF)CCC(=O)Nc1cccc(Br)c1	ZINC000852482787	EF	On-Demand	Anodyne	KCNK3	65	35
COCCN(CCF)CCC(=O)Nc1cccc(Br)c1	ZINC000852482787	EF	On-Demand	Anodyne	KCNK9	61	35
COCCN(CCF)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852482790	FD	On-Demand	Anodyne	SSTR1	19	40
COCCN(CCF)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852482791	FD	On-Demand	Anodyne	SSTR1	19	40
COCCN(CCF)CC(=O)NCc1c(C)nn(-c2ccccc2)c1C	ZINC000852482808	FE	On-Demand	Anodyne	P2RX7	33	56
COCCN(CCF)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852482817	EG	On-Demand	Anodyne	CPT1A	43	30
COCCN(CCF)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852482817	EG	On-Demand	Anodyne	PRNP	47	39
COCCN(CCF)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852482817	EG	On-Demand	Anodyne	HDAC1	15	42
COCCN(CCF)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852482817	EG	On-Demand	Anodyne	LIMK2	23	40
COCCN(CCF)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852482817	EG	On-Demand	Anodyne	NOD1	17	40
COCCN(CCF)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852482817	EG	On-Demand	Anodyne	NOD2	45	40
COCCN(CCF)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852482817	EG	On-Demand	Anodyne	KCNK3	84	40
COCCN(CCF)Cc1ccc(C(=O)Nc2ccccc2)cc1	ZINC000852482817	EG	On-Demand	Anodyne	KCNK9	48	36
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000852482819	ED	On-Demand	Anodyne	KCNK3	98	38
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000852482819	ED	On-Demand	Anodyne	KCNK9	71	38
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000852482820	ED	On-Demand	Anodyne	KCNK3	98	38
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1	ZINC000852482820	ED	On-Demand	Anodyne	KCNK9	71	38
COCCN(CCF)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852482821	FF	On-Demand	Anodyne	ROCK1	21	44
COCCN(CCF)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852482821	FF	On-Demand	Anodyne	HDAC9	15	51
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852482827	ED	On-Demand	Bother	COLA	82	38
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852482827	ED	On-Demand	Bother	TAAR1	20	43
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852482828	ED	On-Demand	Bother	COLA	82	38
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852482828	ED	On-Demand	Bother	TAAR1	20	43
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)OC	ZINC000852482835	DD	On-Demand	Anodyne	FAS	38	48
COCCN(CCF)[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852482837	ED	On-Demand	Anodyne	ANPEP	27	43
COCCN(CCF)[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852482837	ED	On-Demand	Anodyne	NPR	56	31
COCCN(CCF)[C@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852482837	ED	On-Demand	Anodyne	PDS	51	35
COCCN(CCF)[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852482838	ED	On-Demand	Anodyne	ANPEP	27	43
COCCN(CCF)[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852482838	ED	On-Demand	Anodyne	NPR	56	31
COCCN(CCF)[C@@H](C)C(=O)NC(=O)NCc1ccccc1	ZINC000852482838	ED	On-Demand	Anodyne	PDS	51	35
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852482845	FG	On-Demand	Anodyne	ROCK1	22	45
COCCN(CCF)[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852482845	FG	On-Demand	Anodyne	ROCK2	16	45
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852482846	FG	On-Demand	Anodyne	ROCK1	22	45
COCCN(CCF)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000852482846	FG	On-Demand	Anodyne	ROCK2	16	45
COCCN(CCF)CC(=O)NC(=O)Nc1ccc(OC)cc1	ZINC000852482852	ED	On-Demand	Anodyne	CA2	17	43
COCCN(CCF)CC(=O)NC(=O)Nc1ccc(OC)cc1	ZINC000852482852	ED	On-Demand	Anodyne	CA12	22	43
COCCN(CCF)CC(=O)NC(=O)Nc1ccc(OC)cc1	ZINC000852482852	ED	On-Demand	Anodyne	CA9	23	43
COCCN(CCF)[C@H](C)C(=O)Nc1nccs1	ZINC000852482871	CD	On-Demand	Anodyne	MAP1	133	45
COCCN(CCF)[C@H](C)C(=O)Nc1nccs1	ZINC000852482871	CD	On-Demand	Anodyne	GCK	24	45
COCCN(CCF)[C@@H](C)C(=O)Nc1nccs1	ZINC000852482872	CD	On-Demand	Anodyne	MAP1	133	45
COCCN(CCF)[C@@H](C)C(=O)Nc1nccs1	ZINC000852482872	CD	On-Demand	Anodyne	GCK	24	45
COCCN(CCF)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1	ZINC000852482874	FF	On-Demand	Anodyne	SCD1	42	45
COCCN(CCF)CC(=O)Nc1ncc(Cc2cccc(C)c2)s1	ZINC000852482874	FF	On-Demand	Anodyne	SCD	40	47
COCCN(CCF)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1	ZINC000852482875	FE	On-Demand	Anodyne	ACKR3	67	37
COCCN(CCF)CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1	ZINC000852482876	FE	On-Demand	Anodyne	ACKR3	67	37
COCCN(CCF)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000852482888	GD	On-Demand	Anodyne	EPHX2	28	45
COCCN(CCF)CC(=O)Nc1nc2c(OC)cccc2s1	ZINC000852482894	EE	On-Demand	Anodyne	ADORA2B	17	44
COCCN(CCF)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852482895	FG	On-Demand	Mild	VIPR1	30	48
COCCN(CCF)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852482896	FG	On-Demand	Mild	VIPR1	30	48
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852482898	FC	On-Demand	Anodyne	CA2	59	50
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852482898	FC	On-Demand	Anodyne	CA1	55	50
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852482898	FC	On-Demand	Anodyne	CA5B	44	37
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852482898	FC	On-Demand	Anodyne	CA4	78	50
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852482898	FC	On-Demand	Anodyne	CA5A	50	37
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852482898	FC	On-Demand	Anodyne	CA12	27	41
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC	ZINC000852482898	FC	On-Demand	Anodyne	CA9	30	41
Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1	ZINC000852482902	HI	On-Demand	Anodyne	PRNP	40	39
Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1	ZINC000852482903	HI	On-Demand	Anodyne	PRNP	40	39
COCCN(CCF)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852482908	EG	On-Demand	Anodyne	UTS2	46	43
COCCN(CCF)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852482909	EG	On-Demand	Anodyne	UTS2	46	43
COCCN(CCF)[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852482910	EG	On-Demand	Anodyne	UTS2	46	43
COCCN(CCF)[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852482911	EG	On-Demand	Anodyne	UTS2	46	43
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	CA2	55	55
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	CA1	48	53
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	CA5B	50	34
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	CA4	70	55
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	CA5A	58	34
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	CA12	22	53
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	CA9	31	45
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	KCNK3	42	32
COCCN(CCF)CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852482912	EC	On-Demand	Anodyne	KCNK9	43	32
COCCN(CCF)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1	ZINC000852482913	GG	On-Demand	Anodyne	TNF	44	41
COCCN(CCF)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1	ZINC000852482913	GG	On-Demand	Anodyne	MAPK14	31	41
COCCN(CCF)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1	ZINC000852482913	GG	On-Demand	Anodyne	DDR2	36	43
COCCN(CCF)CCC(=O)Nc1cccc(OC)c1	ZINC000852482933	CD	On-Demand	Anodyne	MTNR1A	32	50
COCCN(CCF)CCC(=O)Nc1cccc(OC)c1	ZINC000852482933	CD	On-Demand	Anodyne	MTNR1B	34	54
COCCN(CCF)CCC(=O)Nc1cccc(OC)c1	ZINC000852482933	CD	On-Demand	Anodyne	TAAR1	35	45
COCCN(CCF)CCC(=O)Nc1cccc(OC)c1	ZINC000852482933	CD	On-Demand	Anodyne	KCNK3	75	45
COCCN(CCF)CCC(=O)Nc1cccc(OC)c1	ZINC000852482933	CD	On-Demand	Anodyne	KCNK9	70	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852482936	CD	On-Demand	Anodyne	CTSL	17	43
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852482936	CD	On-Demand	Anodyne	MTNR1B	17	43
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852482936	CD	On-Demand	Anodyne	NPY5R	20	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852482937	CD	On-Demand	Anodyne	CTSL	17	43
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852482937	CD	On-Demand	Anodyne	MTNR1B	17	43
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC)cc1	ZINC000852482937	CD	On-Demand	Anodyne	NPY5R	20	40
COCCN(CCF)CC(=O)Nc1nc2c(s1)CCCC2	ZINC000852482941	DD	On-Demand	Anodyne	SLC27A1	38	42
COCCN(CCF)CC(=O)Nc1nc(-c2cccs2)cs1	ZINC000852482942	EF	On-Demand	Anodyne	ROCK1	18	40
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852482946	FC	On-Demand	Anodyne	CA2	64	55
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852482946	FC	On-Demand	Anodyne	CA1	60	55
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852482946	FC	On-Demand	Anodyne	CA7	27	41
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852482946	FC	On-Demand	Anodyne	CA5B	45	41
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852482946	FC	On-Demand	Anodyne	CA4	88	55
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852482946	FC	On-Demand	Anodyne	CA5A	52	41
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852482946	FC	On-Demand	Anodyne	CA12	26	44
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000852482946	FC	On-Demand	Anodyne	CA9	28	44
COCCN(CCF)CCCn1ccnc1	ZINC000852482953	BD	On-Demand	Anodyne	TBXAS1	23	43
COCCN(CCF)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852482956	EE	On-Demand	Mild	VIPR1	34	54
COCCN(CCF)CC(=O)Nc1ccc(N2CCCCC2)nc1	ZINC000852482961	ED	On-Demand	Anodyne	DGAT1	42	42
COCCN(CCF)CC(=O)NNC(=O)c1ccccc1Cl	ZINC000852482967	ED	On-Demand	Reactive	ECR	43	36
COCCN(CCF)CC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852482970	EF	On-Demand	Anodyne	ROCK1	23	50
COCCN(CCF)CC(=O)Nc1nc(-c2ccccc2)cs1	ZINC000852482970	EF	On-Demand	Anodyne	ROCK2	15	50
COCCN(CCF)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1	ZINC000852482978	GG	On-Demand	Anodyne	TRPM8	17	46
COCCN(CCF)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1	ZINC000852482979	GG	On-Demand	Anodyne	TRPM8	17	46
COCCN(CCF)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000852482989	FF	On-Demand	Anodyne	MPL	44	46
COCCN(CCF)CC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852482997	EC	On-Demand	Anodyne	CA2	25	48
COCCN(CCF)CC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852482997	EC	On-Demand	Anodyne	CA1	24	48
COCCN(CCF)CC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852482997	EC	On-Demand	Anodyne	CA4	37	48
COCCN(CCF)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl	ZINC000852482999	FD	On-Demand	Anodyne	CA2	15	44
COCCN(CCF)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl	ZINC000852482999	FD	On-Demand	Anodyne	CA1	17	44
COCCN(CCF)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl	ZINC000852482999	FD	On-Demand	Anodyne	CA4	28	44
COCCN(CCF)CCC(=O)Nc1cccc(C#N)c1	ZINC000852483000	CD	On-Demand	Mild	KCNK3	46	33
COCCN(CCF)CCC(=O)Nc1cccc(C#N)c1	ZINC000852483000	CD	On-Demand	Mild	KCNK9	47	33
CCOc1ccc([C@@H]2CCCN2C(=O)CN(CCF)CCOC)cc1	ZINC000852483002	FF	On-Demand	Anodyne	CPT1A	64	36
COCCN(CCF)CC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852483005	ED	On-Demand	Anodyne	CCR1	19	42
COCCN(CCF)CC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852483005	ED	On-Demand	Anodyne	SSTR1	37	44
COCCN(CCF)CC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852483013	ED	On-Demand	Anodyne	MAPK13	52	33
COCCN(CCF)CC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852483013	ED	On-Demand	Anodyne	EPHX2	23	45
COCCN(CCF)CC(=O)Nc1cccc(C(=O)NC2CC2)c1	ZINC000852483013	ED	On-Demand	Anodyne	KCNK3	69	34
COCCN(CCF)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852483014	EE	On-Demand	Mild	VIPR1	29	46
COCCN(CCF)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852483015	EE	On-Demand	Mild	VIPR1	29	46
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852483018	GD	On-Demand	Anodyne	CA2	15	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852483018	GD	On-Demand	Anodyne	MMP13	42	38
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852483018	GD	On-Demand	Anodyne	CA14	15	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852483018	GD	On-Demand	Anodyne	MMP2	36	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852483019	GD	On-Demand	Anodyne	CA2	15	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852483019	GD	On-Demand	Anodyne	MMP13	42	38
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852483019	GD	On-Demand	Anodyne	CA14	15	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000852483019	GD	On-Demand	Anodyne	MMP2	36	40
COCCN(CCF)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852483020	FD	On-Demand	Anodyne	DRD4	23	43
COCCN(CCF)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852483020	FD	On-Demand	Anodyne	SIGMAR1	15	42
COCCN(CCF)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852483020	FD	On-Demand	Anodyne	AMY2	44	30
COCCN(CCF)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852483020	FD	On-Demand	Anodyne	MCHR1	20	44
COCCN(CCF)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852483020	FD	On-Demand	Anodyne	CCR8	50	36
COCCN(CCF)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000852483020	FD	On-Demand	Anodyne	SHH	22	43
COCCN(CCF)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1	ZINC000852483021	FF	On-Demand	Anodyne	SCD1	42	46
COCCN(CCF)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1	ZINC000852483021	FF	On-Demand	Anodyne	SCD	35	46
COCCN(CCF)CC(=O)Nc1nc2ccc(F)cc2s1	ZINC000852483027	EE	On-Demand	Anodyne	CA2	23	41
COCCN(CCF)CC(=O)Nc1nc2ccc(F)cc2s1	ZINC000852483027	EE	On-Demand	Anodyne	CSNK1D	54	46
COCCN(CCF)CC(=O)Nc1nc2ccc(F)cc2s1	ZINC000852483027	EE	On-Demand	Anodyne	CA4	23	41
COCCN(CCF)CC(=O)Nc1nc2ccc(F)cc2s1	ZINC000852483027	EE	On-Demand	Anodyne	PIK3CG	17	40
COCCN(CCF)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F	ZINC000852483028	FD	On-Demand	Anodyne	CA2	15	45
COCCN(CCF)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F	ZINC000852483028	FD	On-Demand	Anodyne	CA1	16	45
COCCN(CCF)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F	ZINC000852483028	FD	On-Demand	Anodyne	CA4	26	45
COCCN(CCF)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852483032	FE	On-Demand	Anodyne	EPHX2	83	49
COCCN(CCF)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852483033	FE	On-Demand	Anodyne	EPHX2	83	49
COCCN(CCF)CC(=O)Nc1nc2ccc(C)cc2s1	ZINC000852483037	EE	On-Demand	Anodyne	LCK	30	41
COCCN(CCF)CC(=O)Nc1nc2ccc(C)cc2s1	ZINC000852483037	EE	On-Demand	Anodyne	CSNK1D	57	53
COCCN(CCF)Cc1csc(-c2ccc(O)c(OC)c2)n1	ZINC000852483043	EF	On-Demand	Anodyne	DCK	31	46
COCCN(CCF)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852483045	FD	On-Demand	Bother	SSTR1	59	48
COCCN(CCF)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000852483048	ED	On-Demand	Bother	CACNA1D	40	33
COCCN(CCF)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000852483049	ED	On-Demand	Bother	CACNA1D	40	33
COCCN(CCF)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1	ZINC000852483056	FG	On-Demand	Anodyne	NOD2	41	36
COCCN(CCF)CCC(=O)NCc1ccccc1Cl	ZINC000852483058	DE	On-Demand	Anodyne	P2RX7	43	43
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1C	ZINC000852483060	CD	On-Demand	Anodyne	AMP1_PLAFQ	19	43
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1C	ZINC000852483061	CD	On-Demand	Anodyne	AMP1_PLAFQ	19	43
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852483067	EF	On-Demand	Anodyne	KCNK3	53	42
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852483067	EF	On-Demand	Anodyne	KCNK9	41	35
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852483068	EF	On-Demand	Anodyne	KCNK3	53	42
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852483068	EF	On-Demand	Anodyne	KCNK9	41	35
COCCN(CCF)CCOc1ccc([N+](=O)[O-])cc1	ZINC000852483079	CD	On-Demand	Bother	SNCA	17	40
COCCN(CCF)[C@H](C)C(=O)NCc1ccc(F)cc1	ZINC000852483080	DD	On-Demand	Anodyne	AMP1_PLAFQ	17	41
COCCN(CCF)[C@@H](C)C(=O)NCc1ccc(F)cc1	ZINC000852483081	DD	On-Demand	Anodyne	AMP1_PLAFQ	17	41
COCCN(CCF)CC(=O)N[C@H]1CCOc2ccccc21	ZINC000852483088	DD	On-Demand	Anodyne	BDKRB1	22	41
COCCN(CCF)CC(=O)N[C@H]1CCOc2ccccc21	ZINC000852483088	DD	On-Demand	Anodyne	LUXR	63	35
COCCN(CCF)CC(=O)N[C@H]1CCOc2ccccc21	ZINC000852483088	DD	On-Demand	Anodyne	TRAR	75	35
COCCN(CCF)CC(=O)N[C@H]1CCOc2ccccc21	ZINC000852483088	DD	On-Demand	Anodyne	LASR	42	35
COCCN(CCF)CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852483090	DD	On-Demand	Anodyne	BDKRB1	22	41
COCCN(CCF)CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852483090	DD	On-Demand	Anodyne	LUXR	63	35
COCCN(CCF)CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852483090	DD	On-Demand	Anodyne	TRAR	75	35
COCCN(CCF)CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000852483090	DD	On-Demand	Anodyne	LASR	42	35
COCCN(CCF)CC(=O)N[C@H]1CCCc2ccccc21	ZINC000852483097	DE	On-Demand	Anodyne	BDKRB1	53	42
COCCN(CCF)CC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852483099	DE	On-Demand	Anodyne	BDKRB1	53	42
COCCN(CCF)CC(=O)NCc1cccnc1	ZINC000852483101	CC	On-Demand	Anodyne	NAMPT	58	40
COCCN(CCF)C[C@@H](O)COc1cccc2[nH]ccc12	ZINC000852483103	DD	On-Demand	Anodyne	ADRB1	15	53
COCCN(CCF)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000852483105	ED	On-Demand	Anodyne	KIT	25	44
COCCN(CCF)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000852483105	ED	On-Demand	Anodyne	BRAF	21	44
COCCN(CCF)C[C@H](O)COc1cccc2[nH]ccc12	ZINC000852483106	DD	On-Demand	Anodyne	ADRB1	15	53
COCCN(CCF)CC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852483110	DD	On-Demand	Anodyne	EPHX2	68	48
CCOc1ccc(-c2nc(CN(CCF)CCOC)cs2)cc1	ZINC000852483112	EH	On-Demand	Anodyne	DCK	16	43
COCCN(CCF)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852483118	DD	On-Demand	Bother	COLA	48	36
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000852483120	DD	On-Demand	Bother	COLA	48	36
COCCN(CCF)[C@@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000852483121	EG	On-Demand	Anodyne	LPL	19	41
COCCN(CCF)[C@H](C(=O)Nc1ccccc1)c1ccccc1	ZINC000852483123	EG	On-Demand	Anodyne	LPL	19	41
COCCN(CCF)Cc1cccc(OCC(F)(F)F)c1	ZINC000852483129	DG	On-Demand	Anodyne	SQLE	92	37
COCCN(CCF)CC(=O)NCc1ccc(F)cc1C(F)(F)F	ZINC000852483138	FE	On-Demand	Anodyne	P2RX7	39	50
COCCN(CCF)CC(=O)Nc1ccc(C)cc1Cl	ZINC000852483157	DF	On-Demand	Anodyne	CA4	18	44
COCCN(CCF)CC(=O)Nc1ccc2nc(O)[nH]c2c1	ZINC000852483158	DD	On-Demand	Anodyne	ENPP1	56	32
COCCN(CCF)CCCOc1ccccc1	ZINC000852483165	CE	On-Demand	Anodyne	FDPS	21	41
CCOC(=O)c1c(CN(CCF)CCOC)nc2ccccc2c1C	ZINC000852483166	EG	On-Demand	Anodyne	TSPO	19	52
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	ROCK1	38	42
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	MTNR1A	41	44
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	MTNR1B	41	44
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	ROCK2	46	42
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	REN	17	40
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	BACE1	21	41
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	AMP1_PLAFQ	27	42
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	CARM1	34	42
COCCN(CCF)[C@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483209	DD	On-Demand	Anodyne	PDS	49	40
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	ROCK1	38	42
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	MTNR1A	41	44
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	MTNR1B	41	44
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	ROCK2	46	42
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	REN	17	40
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	BACE1	21	41
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	AMP1_PLAFQ	27	42
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	CARM1	34	42
COCCN(CCF)[C@@H](C)C(=O)NCc1cccc(OC)c1	ZINC000852483210	DD	On-Demand	Anodyne	PDS	49	40
COCCN(CCF)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000852483211	FC	On-Demand	Anodyne	CA4	26	50
COCCN(CCF)CC(=O)Nc1ccccc1I	ZINC000852483225	GE	On-Demand	Anodyne	CA4	15	41
COCCN(CCF)CC(=O)Nc1cccc(C)c1	ZINC000852483229	CD	On-Demand	Anodyne	KCNK3	91	41
COCCN(CCF)CC(=O)Nc1cccc(C)c1	ZINC000852483229	CD	On-Demand	Anodyne	KCNK9	78	41
COCCN(CCF)CC(=O)NCC1(c2ccc(F)cc2)CCCC1	ZINC000852483233	FF	On-Demand	Anodyne	KCNA3	43	35
COCCN(CCF)CC(=O)Nc1ccccc1Br	ZINC000852483237	EE	On-Demand	Anodyne	CA4	19	43
COCCN(CCF)CC(=O)Nc1ccc(C)cc1Br	ZINC000852483242	EF	On-Demand	Anodyne	CA4	23	45
COCCN(CCF)CC(=O)Nc1ccccc1	ZINC000852483271	CD	On-Demand	Anodyne	LTA4H	31	41
COCCN(CCF)CC(=O)Nc1ccccc1	ZINC000852483271	CD	On-Demand	Anodyne	CA4	20	42
COCCN(CCF)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483278	FG	On-Demand	Anodyne	MMP2	15	40
COCCN(CCF)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483278	FG	On-Demand	Anodyne	MMP3	20	44
COCCN(CCF)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483278	FG	On-Demand	Anodyne	NPY5R	33	42
COCCN(CCF)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483278	FG	On-Demand	Anodyne	MMP9	20	40
COCCN(CCF)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483278	FG	On-Demand	Anodyne	MMP12	19	44
COCCN(CCF)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483279	FG	On-Demand	Anodyne	MMP2	15	40
COCCN(CCF)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483279	FG	On-Demand	Anodyne	MMP3	20	44
COCCN(CCF)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483279	FG	On-Demand	Anodyne	NPY5R	33	42
COCCN(CCF)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483279	FG	On-Demand	Anodyne	MMP9	20	40
COCCN(CCF)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1	ZINC000852483279	FG	On-Demand	Anodyne	MMP12	19	44
COCCN(CCF)CC(=O)NCc1ccc2c(c1)OCO2	ZINC000852483295	DC	On-Demand	Anodyne	BMP1	47	37
COCCN(CCF)CC(=O)NCc1ccc2c(c1)OCO2	ZINC000852483295	DC	On-Demand	Anodyne	NOS2	92	38
COCCN(CCF)CC(=O)NCc1ccc2c(c1)OCO2	ZINC000852483295	DC	On-Demand	Anodyne	MCHR1	17	41
COCCN(CCF)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C	ZINC000852483298	DE	On-Demand	Anodyne	CTSA	54	34
COCCN(CCF)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C	ZINC000852483299	DE	On-Demand	Anodyne	CTSA	54	34
COCCN(CCF)[C@H](C)C(=O)N[C@H](C)c1ccccc1C	ZINC000852483300	DE	On-Demand	Anodyne	CTSA	54	34
COCCN(CCF)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C	ZINC000852483301	DE	On-Demand	Anodyne	CTSA	54	34
COCCN(CCF)CCOc1cccc([N+](=O)[O-])c1	ZINC000852483302	CD	On-Demand	Bother	CACNA1C	45	38
COCCN(CCF)CCOc1cccc([N+](=O)[O-])c1	ZINC000852483302	CD	On-Demand	Bother	CACNA1D	72	38
COCCN(CCF)CCOc1cccc([N+](=O)[O-])c1	ZINC000852483302	CD	On-Demand	Bother	ACR	17	41
COCCN(CCF)CCOc1cccc([N+](=O)[O-])c1	ZINC000852483302	CD	On-Demand	Bother	SNCA	16	40
COCCN(CCF)CCC(=O)Nc1ccccc1	ZINC000852483303	CD	On-Demand	Anodyne	KCNK3	49	34
COCCN(CCF)CCOc1cccc(F)c1	ZINC000852483316	CE	On-Demand	Anodyne	CHRNA10	29	41
COCCN(CCF)CC(=O)Nc1ccc(Cl)cc1Cl	ZINC000852483337	DF	On-Demand	Anodyne	CA4	20	45
COCCN(CCF)CC(=O)OCc1ccccc1	ZINC000852483342	CD	On-Demand	Anodyne	NPR	55	34
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA2	130	54
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA1	112	52
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA7	51	54
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA5B	45	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA4	108	49
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA5A	48	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA14	45	54
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA12	73	46
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CA9	79	44
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	CYNT	36	42
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	MTCA1	50	44
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483344	EC	On-Demand	Anodyne	P96878_MYCTU	65	45
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA2	130	54
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA1	112	52
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA7	51	54
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA5B	45	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA4	108	49
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA5A	48	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA14	45	54
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA12	73	46
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CA9	79	44
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	CYNT	36	42
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	MTCA1	50	44
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483345	EC	On-Demand	Anodyne	P96878_MYCTU	65	45
COCCN(CCF)Cc1cc(C)nc2ccccc12	ZINC000852483346	CF	On-Demand	Anodyne	ADAM17	43	35
COCCN(CCF)CC(=O)Nc1ccc(OC)c(Cl)c1	ZINC000852483348	DE	On-Demand	Anodyne	ENPP1	68	34
COCCN(CCF)[C@H](C)C(=O)NCc1ccc(Cl)cc1	ZINC000852483350	DE	On-Demand	Anodyne	UL54	67	35
COCCN(CCF)[C@H](C)C(=O)NCc1ccc(Cl)cc1	ZINC000852483350	DE	On-Demand	Anodyne	AMP1_PLAFQ	16	46
COCCN(CCF)[C@@H](C)C(=O)NCc1ccc(Cl)cc1	ZINC000852483352	DE	On-Demand	Anodyne	UL54	67	35
COCCN(CCF)[C@@H](C)C(=O)NCc1ccc(Cl)cc1	ZINC000852483352	DE	On-Demand	Anodyne	AMP1_PLAFQ	16	46
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852483363	FF	On-Demand	Anodyne	KCNQ2	34	47
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000852483365	FF	On-Demand	Anodyne	KCNQ2	34	47
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852483369	DE	On-Demand	Anodyne	KCNK3	108	36
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852483369	DE	On-Demand	Anodyne	KCNK9	77	35
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852483371	DE	On-Demand	Anodyne	KCNK3	108	36
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1	ZINC000852483371	DE	On-Demand	Anodyne	KCNK9	77	35
COCCN(CCF)Cc1csc(-c2ccc(OC)cc2)n1	ZINC000852483374	DG	On-Demand	Anodyne	AVPR1B	18	43
COCCN(CCF)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1	ZINC000852483384	EF	On-Demand	Anodyne	UTS2	46	38
COCCN(CCF)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1	ZINC000852483385	EF	On-Demand	Anodyne	UTS2	46	38
COCCN(CCF)CC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852483390	EG	On-Demand	Anodyne	LTA4H	36	44
COCCN(CCF)CC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852483390	EG	On-Demand	Anodyne	TSPO	42	36
COCCN(CCF)CC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852483390	EG	On-Demand	Anodyne	CA4	17	44
COCCN(CCF)CC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852483390	EG	On-Demand	Anodyne	MTNR1B	20	46
COCCN(CCF)CC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852483390	EG	On-Demand	Anodyne	EPHX2	17	43
COCCN(CCF)CC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852483390	EG	On-Demand	Anodyne	CRTM	41	35
COCCN(CCF)CC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852483390	EG	On-Demand	Anodyne	KCNK3	65	39
COCCN(CCF)CC(=O)Nc1cccc(Oc2ccccc2)c1	ZINC000852483390	EG	On-Demand	Anodyne	KCNK9	58	36
COCCN(CCF)CC(=O)NCc1ccccc1	ZINC000852483391	CD	On-Demand	Anodyne	PDS	43	35
COCCN(CCF)CC(=O)Nc1ccc(F)cc1F	ZINC000852483392	CD	On-Demand	Anodyne	CA4	21	48
COCCN(CCF)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl	ZINC000852483395	FH	On-Demand	Anodyne	CA4	17	42
COCCN(CCF)[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852483400	CF	On-Demand	Bother	COLA	98	34
COCCN(CCF)[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000852483401	CF	On-Demand	Bother	COLA	98	34
COCCN(CCF)CC(=O)NCc1ccc(Cl)cc1	ZINC000852483409	DD	On-Demand	Anodyne	UL54	71	35
COCCN(CCF)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852483417	ED	On-Demand	Bother	KCNMA1	22	51
COCCN(CCF)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000852483420	ED	On-Demand	Bother	KCNMA1	22	51
COCCN(CCF)CC(=O)Nc1cccc(I)c1	ZINC000852483422	GE	On-Demand	Anodyne	KCNK3	42	33
COCCN(CCF)CC(=O)Nc1cccc(I)c1	ZINC000852483422	GE	On-Demand	Anodyne	KCNK9	42	33
COCCN(CCF)CCOc1cccc(S(C)(=O)=O)c1	ZINC000852483430	DD	On-Demand	Anodyne	NR1H3	44	37
COCCN(CCF)CC(=O)Nc1ccc(C)cc1F	ZINC000852483433	CD	On-Demand	Anodyne	CA4	16	45
COCCN(CCF)Cc1cccc(NC(C)=O)c1	ZINC000852483449	CE	On-Demand	Anodyne	KCNK3	58	34
COCCN(CCF)Cc1cccc(NC(C)=O)c1	ZINC000852483449	CE	On-Demand	Anodyne	KCNK9	52	34
CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(CCF)CCOC)cc1	ZINC000852483462	DF	On-Demand	Anodyne	ACACA	18	41
CCOC(=O)N1CCN(C(=O)[C@@H](C)N(CCF)CCOC)CC1	ZINC000852483475	EC	On-Demand	Anodyne	P2RY12	56	37
CCOC(=O)N1CCN(C(=O)[C@H](C)N(CCF)CCOC)CC1	ZINC000852483476	EC	On-Demand	Anodyne	P2RY12	56	37
COCCN(CCF)CCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852483481	DE	On-Demand	Anodyne	MAOA	68	49
COCCN(CCF)CCOc1ccc2c(C)cc(=O)oc2c1	ZINC000852483481	DE	On-Demand	Anodyne	MAOB	56	56
COCCN(CCF)CCC(=O)Nc1cccc(F)c1	ZINC000852483503	CE	On-Demand	Anodyne	FUCA1	16	46
COCCN(CCF)CCC(=O)Nc1cccc(F)c1	ZINC000852483503	CE	On-Demand	Anodyne	KCNK3	76	41
COCCN(CCF)CCC(=O)Nc1cccc(F)c1	ZINC000852483503	CE	On-Demand	Anodyne	KCNK9	68	41
COCCN(CCF)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852483506	FD	On-Demand	Anodyne	EPHX2	90	50
COCCN(CCF)CC(=O)N[C@H](C)c1ccc(F)cc1	ZINC000852483510	DD	On-Demand	Anodyne	ACACA	15	40
COCCN(CCF)CC(=O)N[C@@H](C)c1ccc(F)cc1	ZINC000852483512	DD	On-Demand	Anodyne	ACACA	15	40
COCCN(CCF)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	ZINC000852483513	ED	On-Demand	Bother	TAAR1	20	41
COCCN(CCF)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	ZINC000852483514	EG	On-Demand	Anodyne	NPY5R	31	42
COCCN(CCF)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	ZINC000852483515	EG	On-Demand	Anodyne	NPY5R	31	42
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(F)c1	ZINC000852483516	CE	On-Demand	Anodyne	KCNK3	56	39
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(F)c1	ZINC000852483516	CE	On-Demand	Anodyne	KCNK9	54	39
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(F)c1	ZINC000852483517	CE	On-Demand	Anodyne	KCNK3	56	39
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(F)c1	ZINC000852483517	CE	On-Demand	Anodyne	KCNK9	54	39
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA2	140	62
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA1	123	62
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA7	51	48
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA5B	56	45
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA4	135	62
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA5A	60	45
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA14	41	48
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA12	72	61
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CA9	79	61
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	CYNT	36	42
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	MTCA1	49	46
COCCN(CCF)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000852483525	EC	On-Demand	Anodyne	P96878_MYCTU	64	46
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1	ZINC000852483528	CD	On-Demand	Anodyne	MME	43	40
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1	ZINC000852483528	CD	On-Demand	Anodyne	ANPEP	37	44
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1	ZINC000852483528	CD	On-Demand	Anodyne	FURIN	43	34
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1	ZINC000852483528	CD	On-Demand	Anodyne	NPR	72	33
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1	ZINC000852483528	CD	On-Demand	Anodyne	AMP1_PLAFQ	57	44
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1	ZINC000852483528	CD	On-Demand	Anodyne	PDS	54	36
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852483529	CD	On-Demand	Anodyne	MME	43	40
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852483529	CD	On-Demand	Anodyne	ANPEP	37	44
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852483529	CD	On-Demand	Anodyne	FURIN	43	34
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852483529	CD	On-Demand	Anodyne	NPR	72	33
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852483529	CD	On-Demand	Anodyne	AMP1_PLAFQ	57	44
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1	ZINC000852483529	CD	On-Demand	Anodyne	PDS	54	36
COCCN(CCF)Cc1noc(-c2ccccc2)n1	ZINC000852483531	CE	On-Demand	Anodyne	LUCI_PHOPE	21	41
COCCN(CCF)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852483532	FG	On-Demand	Anodyne	RAF1	30	46
COCCN(CCF)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000852483532	FG	On-Demand	Anodyne	IMDH_CRYPV	18	43
COCCN(CCF)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000852483534	EE	On-Demand	Bother	TAAR1	16	44
COCCN(CCF)Cc1cccc([N+](=O)[O-])c1	ZINC000852483541	CE	On-Demand	Bother	CACNA1C	49	38
COCCN(CCF)Cc1cccc([N+](=O)[O-])c1	ZINC000852483541	CE	On-Demand	Bother	CACNA1D	78	38
COCCN(CCF)CC(=O)Nc1ccc(F)cc1Cl	ZINC000852483542	DE	On-Demand	Anodyne	CA4	21	47
COCCN(CCF)CC(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000852483546	DD	On-Demand	Bother	CACNA1D	47	33
COCCN(CCF)[C@H](C)c1nc(-c2ccc(OC)cc2)no1	ZINC000852483563	DF	On-Demand	Anodyne	LUCI_PHOPE	15	40
COCCN(CCF)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1	ZINC000852483565	DF	On-Demand	Anodyne	LUCI_PHOPE	15	40
COCCN(CCF)CC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852483578	DF	On-Demand	Anodyne	KIT	15	40
COCCN(CCF)CC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852483578	DF	On-Demand	Anodyne	KCNK3	46	42
COCCN(CCF)CC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000852483578	DF	On-Demand	Anodyne	KCNK9	40	34
COCCN(CCF)CC(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852483581	DF	On-Demand	Anodyne	EPHX2	20	43
COCCN(CCF)CC(=O)Nc1ccccc1F	ZINC000852483611	CD	On-Demand	Anodyne	CA4	15	41
COCCN(CCF)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852483615	EF	On-Demand	Anodyne	UTS2	46	37
COCCN(CCF)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852483617	EF	On-Demand	Anodyne	UTS2	46	37
COCCN(CCF)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000852483618	EF	On-Demand	Anodyne	UTS2	46	37
COCCN(CCF)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000852483619	EF	On-Demand	Anodyne	UTS2	46	37
COCCN(CCF)Cc1csc(-c2ccc(OC)cc2OC)n1	ZINC000852483635	FG	On-Demand	Anodyne	DCK	15	40
COCCN(CCF)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000852483639	EE	On-Demand	Bother	CA4	15	43
COCCN(CCF)CC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852483650	EG	On-Demand	Anodyne	LTA4H	33	40
COCCN(CCF)CC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852483650	EG	On-Demand	Anodyne	PRNP	27	40
COCCN(CCF)CC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852483650	EG	On-Demand	Anodyne	CA4	18	41
COCCN(CCF)CC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000852483650	EG	On-Demand	Anodyne	SLC1A2	22	41
COCCN(CCF)CC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000852483651	EG	On-Demand	Anodyne	LTA4H	61	55
COCCN(CCF)CC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000852483651	EG	On-Demand	Anodyne	MTNR1B	15	46
COCCN(CCF)CC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000852483651	EG	On-Demand	Anodyne	NPY5R	26	42
COCCN(CCF)CC(=O)Nc1ccccc1-c1ccccc1	ZINC000852483653	EG	On-Demand	Anodyne	CA4	15	42
COCCN(CCF)C[C@@H](O)c1cccc(Cl)c1	ZINC000852483661	CE	On-Demand	Anodyne	AOC3	15	42
COCCN(CCF)C[C@H](O)c1cccc(Cl)c1	ZINC000852483662	CE	On-Demand	Anodyne	AOC3	15	42
COCCN(CCF)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000852483671	ED	On-Demand	Bother	CACNA1D	46	32
COCCN(CCF)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000852483671	ED	On-Demand	Bother	KCNMA1	23	51
COCCN(CCF)CC(=O)Nc1ccc(C)c(Cl)c1	ZINC000852483680	DF	On-Demand	Anodyne	POLC	15	40
COCCN(CCF)CC(=O)Nc1c(C(C)C)cccc1C(C)C	ZINC000852483684	EH	On-Demand	Anodyne	SOAT1	57	41
COCCN(CCF)Cc1csc(Nc2ccccc2C)n1	ZINC000852483688	DH	On-Demand	Anodyne	CCR4	15	50
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(I)c1	ZINC000852483693	GF	On-Demand	Anodyne	KCNK3	49	34
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(I)c1	ZINC000852483693	GF	On-Demand	Anodyne	KCNK9	48	34
COCCN(CCF)CC(=O)Nc1ccc(Br)cc1F	ZINC000852483694	FE	On-Demand	Anodyne	CA4	16	44
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(I)c1	ZINC000852483695	GF	On-Demand	Anodyne	KCNK3	49	34
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(I)c1	ZINC000852483695	GF	On-Demand	Anodyne	KCNK9	48	34
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc2ccccc12	ZINC000852483697	DG	On-Demand	Anodyne	KCNJ11	63	35
COCCN(CCF)[C@H](C)C(=O)Nc1cccc2ccccc12	ZINC000852483698	DG	On-Demand	Anodyne	KCNJ11	63	35
COCCN(CCF)Cc1ccc2ccccc2n1	ZINC000852483702	CF	On-Demand	Anodyne	CYSLTR1	23	40
COCCN(CCF)Cc1ccc2ccccc2n1	ZINC000852483702	CF	On-Demand	Anodyne	PDE10A	15	40
COCCN(CCF)Cc1csc(-c2ccc(OC)c(OC)c2)n1	ZINC000852483715	FG	On-Demand	Anodyne	DCK	41	52
COCCN(CCF)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000852483722	EF	On-Demand	Anodyne	CYNT	35	42
COCCN(CCF)CCCc1cccc(OC)c1	ZINC000852483750	CF	On-Demand	Anodyne	CRTM	41	37
COCCN(CCF)CC(=O)Nc1ccccc1Cl	ZINC000852483751	CE	On-Demand	Anodyne	CA4	17	41
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852483752	FF	On-Demand	Anodyne	KCNK3	53	36
COCCN(CCF)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852483752	FF	On-Demand	Anodyne	KCNK9	50	36
COCCN(CCF)CC(=O)Nc1ccc(C(=O)OC)cc1	ZINC000852483760	DD	On-Demand	Anodyne	ACR	57	36
COCCN(CCF)CC(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000852483779	DF	On-Demand	Anodyne	TRPV1	18	42
COCCN(CCF)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000852483780	GH	On-Demand	Anodyne	KCNA5	19	43
COCCN(CCF)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000852483780	GH	On-Demand	Anodyne	UTS2R	19	49
COCCN(CCF)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000852483781	GH	On-Demand	Anodyne	KCNA5	19	43
COCCN(CCF)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000852483781	GH	On-Demand	Anodyne	UTS2R	19	49
COCCN(CCF)CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852483795	FD	On-Demand	Anodyne	DRD4	28	42
COCCN(CCF)CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852483795	FD	On-Demand	Anodyne	SIGMAR1	16	46
COCCN(CCF)CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000852483795	FD	On-Demand	Anodyne	FAAH	25	48
COCCN(CCF)Cc1nc(-c2ccsc2)oc1C	ZINC000852483798	CG	On-Demand	Anodyne	PPARA	17	40
COCCN(CCF)CC(=O)NCC1(c2ccccc2)CC1	ZINC000852483802	DD	On-Demand	Anodyne	KCNA3	53	43
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1	ZINC000852483826	DD	On-Demand	Anodyne	ACR	53	34
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1	ZINC000852483828	DD	On-Demand	Anodyne	ACR	53	34
COCCN(CCF)CCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000852483835	FD	On-Demand	Anodyne	SSTR1	49	51
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852483849	EF	On-Demand	Anodyne	EPHX2	19	43
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852483849	EF	On-Demand	Anodyne	FPR2	22	42
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852483850	EF	On-Demand	Anodyne	EPHX2	19	43
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000852483850	EF	On-Demand	Anodyne	FPR2	22	42
COCCN(CCF)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1	ZINC000852483851	FF	On-Demand	Anodyne	AVPR1B	19	42
COCCN(CCF)CC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852483858	EE	On-Demand	Anodyne	P2RY1	47	37
COCCN(CCF)CC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852483858	EE	On-Demand	Anodyne	EPHX2	48	40
COCCN(CCF)Cc1cc(=O)oc2cc(O)ccc12	ZINC000852483864	CD	On-Demand	Anodyne	HSD17B3	42	55
COCCN(CCF)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852483867	DE	On-Demand	Anodyne	CYP11B1	16	40
COCCN(CCF)Cc1cc(=O)oc2cc(OC)ccc12	ZINC000852483867	DE	On-Demand	Anodyne	MAOB	36	43
COCCN(CCF)CC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000852483870	DD	On-Demand	Bother	CACNA1D	47	33
COCCN(CCF)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000852483871	GE	On-Demand	Clean	CASP2	16	42
COCCN(CCF)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000852483882	ED	On-Demand	Anodyne	P2RY12	103	35
COCCN(CCF)CC(=O)Nc1ccc(OC)c(OC)c1	ZINC000852483884	DD	On-Demand	Anodyne	ENPP1	83	39
COCCN(CCF)CC(=O)Nc1ccc(OC)c(OC)c1	ZINC000852483884	DD	On-Demand	Anodyne	DRTS_TRYCR	45	32
COCCN(CCF)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1	ZINC000852483885	ED	On-Demand	Anodyne	P2RY12	103	35
COCCN(CCF)Cc1cc(Cl)ccc1OCc1cccnc1	ZINC000852483888	FH	On-Demand	Anodyne	PTGER1	41	40
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1OC	ZINC000852483891	DD	On-Demand	Anodyne	MBTPS1	44	32
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1OC	ZINC000852483893	DD	On-Demand	Anodyne	MBTPS1	44	32
COCCN(CCF)CCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852483899	DE	On-Demand	Anodyne	HTR7	15	48
COCCN(CCF)CCC(=O)N[C@H]1CCCc2ccccc21	ZINC000852483899	DE	On-Demand	Anodyne	BDKRB1	42	40
COCCN(CCF)CCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852483901	DE	On-Demand	Anodyne	HTR7	15	48
COCCN(CCF)CCC(=O)N[C@@H]1CCCc2ccccc21	ZINC000852483901	DE	On-Demand	Anodyne	BDKRB1	42	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000852483903	DG	On-Demand	Anodyne	TRPV1	19	42
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000852483905	DG	On-Demand	Anodyne	TRPV1	19	42
COCCN(CCF)CC(=O)Nc1ccc(OC)cc1	ZINC000852483908	CD	On-Demand	Anodyne	MTNR1B	15	42
COCCN(CCF)CC(=O)Nc1ccc(OC)cc1	ZINC000852483908	CD	On-Demand	Anodyne	CA9	20	42
COCCN(CCF)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852483910	CD	On-Demand	Bother	COLA	51	32
COCCN(CCF)[C@H](C(=O)N1CCCCC1)c1ccccc1	ZINC000852483930	DF	On-Demand	Anodyne	AMY2	46	32
COCCN(CCF)[C@H](C(=O)N1CCCCC1)c1ccccc1	ZINC000852483930	DF	On-Demand	Anodyne	DPP7	57	43
COCCN(CCF)[C@@H](C(=O)N1CCCCC1)c1ccccc1	ZINC000852483931	DF	On-Demand	Anodyne	AMY2	46	32
COCCN(CCF)[C@@H](C(=O)N1CCCCC1)c1ccccc1	ZINC000852483931	DF	On-Demand	Anodyne	DPP7	57	43
COCCN(CCF)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000852483932	GD	On-Demand	Anodyne	FPR2	52	47
COCCN(CCF)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000852483934	GD	On-Demand	Anodyne	FPR2	52	47
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	PDGFRB	15	40
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	CA4	15	44
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	MTNR1A	34	47
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	MTNR1B	36	49
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	EPHX2	18	44
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	FLT4	20	40
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	TAAR1	37	46
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	KCNK3	56	42
COCCN(CCF)CC(=O)Nc1cccc(OC)c1	ZINC000852483937	CD	On-Demand	Anodyne	KCNK9	59	38
COCCN(CCF)CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000852483951	ED	On-Demand	Anodyne	DRD4	28	40
COCCN(CCF)CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000852483951	ED	On-Demand	Anodyne	SSTR1	50	39
COCCN(CCF)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852483956	GD	On-Demand	Anodyne	CA4	20	46
COCCN(CCF)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852483956	GD	On-Demand	Anodyne	EPHX2	17	42
COCCN(CCF)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852483956	GD	On-Demand	Anodyne	TGM2	45	35
COCCN(CCF)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000852483956	GD	On-Demand	Anodyne	F13A1	60	43
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(Cl)c1	ZINC000852483971	DF	On-Demand	Anodyne	TAAR1	15	40
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(Cl)c1	ZINC000852483971	DF	On-Demand	Anodyne	KCNK3	62	38
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(Cl)c1	ZINC000852483971	DF	On-Demand	Anodyne	KCNK9	54	38
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(Cl)c1	ZINC000852483972	DF	On-Demand	Anodyne	TAAR1	15	40
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(Cl)c1	ZINC000852483972	DF	On-Demand	Anodyne	KCNK3	62	38
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(Cl)c1	ZINC000852483972	DF	On-Demand	Anodyne	KCNK9	54	38
COCCN(CCF)CCc1ccc(OC)cc1	ZINC000852483988	CE	On-Demand	Anodyne	SLC18A2	15	40
COCCN(CCF)CC[C@H]1CCCCN1C	ZINC000852484001	BD	On-Demand	Anodyne	CHRNA10	42	33
COCCN(CCF)CC[C@H]1CCCCN1C	ZINC000852484001	BD	On-Demand	Anodyne	ACKR3	61	30
COCCN(CCF)CC[C@@H]1CCCCN1C	ZINC000852484002	BD	On-Demand	Anodyne	CHRNA10	42	33
COCCN(CCF)CC[C@@H]1CCCCN1C	ZINC000852484002	BD	On-Demand	Anodyne	ACKR3	61	30
COCCN(CCF)Cc1cccc([N+](=O)[O-])c1C	ZINC000852484012	CE	On-Demand	Bother	COLA	63	32
COCCN(CCF)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1	ZINC000852484016	GH	On-Demand	Bother	COLA	60	35
COCCN(CCF)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1	ZINC000852484018	GH	On-Demand	Bother	COLA	60	35
COCCN(CCF)CC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852484022	DF	On-Demand	Anodyne	CA4	15	40
COCCN(CCF)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852484024	FF	On-Demand	Mild	VIPR1	33	52
COCCN(CCF)CCC(=O)Nc1cccc(Cl)c1	ZINC000852484030	DF	On-Demand	Anodyne	KCNK3	78	40
COCCN(CCF)CCC(=O)Nc1cccc(Cl)c1	ZINC000852484030	DF	On-Demand	Anodyne	KCNK9	63	40
COCCN(CCF)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852484045	DD	On-Demand	Bother	CACNA1C	58	40
COCCN(CCF)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852484045	DD	On-Demand	Bother	CACNA1D	89	37
COCCN(CCF)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852484045	DD	On-Demand	Bother	COLA	69	37
COCCN(CCF)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852484045	DD	On-Demand	Bother	TAAR1	22	46
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852484046	DD	On-Demand	Bother	CACNA1C	58	40
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852484046	DD	On-Demand	Bother	CACNA1D	89	37
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852484046	DD	On-Demand	Bother	COLA	69	37
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000852484046	DD	On-Demand	Bother	TAAR1	22	46
COCCN(CCF)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852484047	DD	On-Demand	Bother	COLA	127	42
COCCN(CCF)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000852484048	DD	On-Demand	Bother	COLA	127	42
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(Br)c1	ZINC000852484058	EF	On-Demand	Anodyne	KCNK3	49	34
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(Br)c1	ZINC000852484058	EF	On-Demand	Anodyne	KCNK9	48	34
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(Br)c1	ZINC000852484059	EF	On-Demand	Anodyne	KCNK3	49	34
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(Br)c1	ZINC000852484059	EF	On-Demand	Anodyne	KCNK9	48	34
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	MME	20	42
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	TACR1	27	51
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	NQO2	17	42
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	CCKAR	85	48
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	MPO	45	40
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	BRS3	28	45
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	NMBR	32	52
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	MTNR1A	22	42
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	GRIA1	18	43
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	GRPR	51	35
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	ECE1	48	39
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	MMP11	64	35
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	CCKBR	61	39
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	GHSR	52	35
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	MC1R	47	39
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	MMP1	22	46
COCCN(CCF)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484060	EE	On-Demand	Anodyne	KISS1R	72	34
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	MME	20	42
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	TACR1	27	51
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	NQO2	17	42
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	CCKAR	85	48
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	MPO	45	40
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	BRS3	28	45
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	NMBR	32	52
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	MTNR1A	22	42
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	GRIA1	18	43
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	GRPR	51	35
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	ECE1	48	39
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	MMP11	64	35
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	CCKBR	61	39
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	GHSR	52	35
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	MC1R	47	39
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	MMP1	22	46
COCCN(CCF)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852484061	EE	On-Demand	Anodyne	KISS1R	72	34
COCCN(CCF)[C@H](C)c1cccnc1	ZINC000852484065	BE	On-Demand	Anodyne	KCNA5	25	47
COCCN(CCF)[C@@H](C)c1cccnc1	ZINC000852484066	BE	On-Demand	Anodyne	KCNA5	25	47
COCCN(CCF)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852484091	GC	On-Demand	Anodyne	TGM2	46	38
COCCN(CCF)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000852484091	GC	On-Demand	Anodyne	F13A1	57	38
COCCN(CCF)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000852484098	FD	On-Demand	Anodyne	PDGFRB	45	41
COCCN(CCF)Cc1ccc(OCc2cccnc2)cc1	ZINC000852484103	DG	On-Demand	Anodyne	NR1D1	34	41
COCCN(CCF)CC(=O)N[C@@H](c1ccccc1)C1CCCC1	ZINC000852484112	EF	On-Demand	Anodyne	AMY2	48	34
COCCN(CCF)CC(=O)N[C@H](c1ccccc1)C1CCCC1	ZINC000852484115	EF	On-Demand	Anodyne	AMY2	48	34
COCCN(CCF)CC(=O)Nc1cccc(Cl)c1	ZINC000852484116	CE	On-Demand	Anodyne	KCNK3	54	38
COCCN(CCF)CC(=O)Nc1cccc(Cl)c1	ZINC000852484116	CE	On-Demand	Anodyne	KCNK9	48	38
COCCN(CCF)[C@H](C)C(=O)Nc1ccccc1Cl	ZINC000852484118	DF	On-Demand	Anodyne	CXCL8	49	36
COCCN(CCF)[C@H](C)C(=O)Nc1ccccc1Cl	ZINC000852484118	DF	On-Demand	Anodyne	KCNQ2	44	34
COCCN(CCF)[C@H](C)C(=O)Nc1ccccc1Cl	ZINC000852484118	DF	On-Demand	Anodyne	EPHB3	43	34
COCCN(CCF)[C@@H](C)C(=O)Nc1ccccc1Cl	ZINC000852484119	DF	On-Demand	Anodyne	CXCL8	49	36
COCCN(CCF)[C@@H](C)C(=O)Nc1ccccc1Cl	ZINC000852484119	DF	On-Demand	Anodyne	KCNQ2	44	34
COCCN(CCF)[C@@H](C)C(=O)Nc1ccccc1Cl	ZINC000852484119	DF	On-Demand	Anodyne	EPHB3	43	34
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000852484129	EG	On-Demand	Anodyne	PYGL	19	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000852484131	EG	On-Demand	Anodyne	PYGL	19	40
COCCN(CCF)CC(=O)NCC1(c2ccccc2)CCOCC1	ZINC000852484132	FD	On-Demand	Anodyne	KCNA3	49	42
COCCN(CCF)CC(=O)NCC1(c2ccccc2)CCOCC1	ZINC000852484132	FD	On-Demand	Anodyne	ICMT	69	42
COCCN(CCF)[C@H]1CCN(c2ccccc2OC)C1=O	ZINC000852484134	DD	On-Demand	Anodyne	HTR1A	42	38
COCCN(CCF)[C@@H]1CCN(c2ccccc2OC)C1=O	ZINC000852484135	DD	On-Demand	Anodyne	HTR1A	42	38
CC[C@@H](NC(=O)CN(CCF)CCOC)c1ccc(Cl)cc1	ZINC000852484144	EF	On-Demand	Anodyne	UTS2	50	38
COCCN(CCF)CC(=O)NCC1(c2ccccc2)CCCC1	ZINC000852484153	EF	On-Demand	Anodyne	KCNA3	52	42
COCCN(CCF)CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000852484175	EF	On-Demand	Mild	CNR2	20	47
COCCN(CCF)Cc1cccc(C(=O)NCC(C)C)c1	ZINC000852484177	DE	On-Demand	Anodyne	F3	46	33
COCCN(CCF)Cc1c(C(=O)OC)sc2ccccc12	ZINC000852484181	EG	On-Demand	Anodyne	FAS	20	40
COCCN(CCF)CC(=O)Nc1ccc(Cl)cc1	ZINC000852484188	CE	On-Demand	Anodyne	LTA4H	15	41
COCCN(CCF)CC(=O)Nc1ccccc1Oc1ccccc1	ZINC000852484220	EG	On-Demand	Anodyne	TSPO	44	35
COCCN(CCF)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC	ZINC000852484228	FE	On-Demand	Anodyne	ACKR3	62	32
COCCN(CCF)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC	ZINC000852484229	FE	On-Demand	Anodyne	ACKR3	62	32
COCCN(CCF)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852484257	EC	On-Demand	Reactive	CACNA1C	53	37
COCCN(CCF)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000852484257	EC	On-Demand	Reactive	CACNA1D	82	37
COCCN(CCF)Cc1nc2ccccc2[nH]1	ZINC000852484263	CD	On-Demand	Anodyne	CXCR4	36	41
COCCN(CCF)CC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000852484268	FD	On-Demand	Anodyne	HCN1	56	36
COCCN(CCF)CC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000852484268	FD	On-Demand	Anodyne	HCN4	52	35
COCCN(CCF)CC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852484273	ED	On-Demand	Anodyne	DRD4	40	40
COCCN(CCF)CC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852484273	ED	On-Demand	Anodyne	SIGMAR1	52	42
COCCN(CCF)CC(=O)N1CCN(Cc2ccccc2)CC1	ZINC000852484273	ED	On-Demand	Anodyne	FAAH	18	42
COCCN(CCF)Cc1nc(-c2ccccn2)no1	ZINC000852484274	CD	On-Demand	Anodyne	LUCI_PHOPE	25	43
COCCN(CCF)CC(=O)Nc1ccc(CN2CCOCC2)cc1	ZINC000852484291	FD	On-Demand	Anodyne	LTA4H	19	41
COCCN(CCF)CC(=O)Nc1ccc(CN2CCOCC2)cc1	ZINC000852484291	FD	On-Demand	Anodyne	EPHX2	27	46
COCCN(CCF)CC(=O)Nc1ccc(CN2CCOCC2)cc1	ZINC000852484291	FD	On-Demand	Anodyne	NOD2	41	36
COCCN(CCF)Cc1nc(-c2ccc3c(c2)OCO3)no1	ZINC000852484302	DD	On-Demand	Anodyne	CLK4	49	31
COCCN(CCF)Cc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852484306	EF	On-Demand	Anodyne	DYRK1A	30	40
COCCN(CCF)Cc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852484306	EF	On-Demand	Anodyne	CLK1	33	40
COCCN(CCF)Cc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852484306	EF	On-Demand	Anodyne	CLK2	39	40
COCCN(CCF)Cc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852484306	EF	On-Demand	Anodyne	CLK4	56	40
COCCN(CCF)Cc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000852484306	EF	On-Demand	Anodyne	DYRK1B	23	40
COCCN(CCF)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000852484308	DF	On-Demand	Anodyne	RBP4	30	40
COCCN(CCF)CC(=O)Nc1cc(F)ccc1F	ZINC000852484309	CD	On-Demand	Anodyne	CA4	16	41
COCCN(CCF)[C@H](C(=O)NCc1ccccc1)c1ccccc1	ZINC000852484319	EF	On-Demand	Anodyne	ANPEP	23	40
COCCN(CCF)[C@H](C(=O)NCc1ccccc1)c1ccccc1	ZINC000852484319	EF	On-Demand	Anodyne	NPR	45	31
COCCN(CCF)[C@H](C(=O)NCc1ccccc1)c1ccccc1	ZINC000852484319	EF	On-Demand	Anodyne	AMP1_PLAFQ	42	40
COCCN(CCF)[C@H](C(=O)NCc1ccccc1)c1ccccc1	ZINC000852484319	EF	On-Demand	Anodyne	PDS	52	35
COCCN(CCF)[C@@H](C(=O)NCc1ccccc1)c1ccccc1	ZINC000852484320	EF	On-Demand	Anodyne	ANPEP	23	40
COCCN(CCF)[C@@H](C(=O)NCc1ccccc1)c1ccccc1	ZINC000852484320	EF	On-Demand	Anodyne	NPR	45	31
COCCN(CCF)[C@@H](C(=O)NCc1ccccc1)c1ccccc1	ZINC000852484320	EF	On-Demand	Anodyne	AMP1_PLAFQ	42	40
COCCN(CCF)[C@@H](C(=O)NCc1ccccc1)c1ccccc1	ZINC000852484320	EF	On-Demand	Anodyne	PDS	52	35
COCCN(CCF)CC(=O)NCc1cccc(OC)c1	ZINC000852484334	CD	On-Demand	Anodyne	MMP13	27	40
COCCN(CCF)CC(=O)NCc1cccc(OC)c1	ZINC000852484334	CD	On-Demand	Anodyne	ROCK1	38	41
COCCN(CCF)CC(=O)NCc1cccc(OC)c1	ZINC000852484334	CD	On-Demand	Anodyne	MTNR1A	56	42
COCCN(CCF)CC(=O)NCc1cccc(OC)c1	ZINC000852484334	CD	On-Demand	Anodyne	MTNR1B	52	42
COCCN(CCF)CC(=O)NCc1cccc(OC)c1	ZINC000852484334	CD	On-Demand	Anodyne	ROCK2	43	42
COCCN(CCF)Cc1nc(-c2ccc(OC)cc2)no1	ZINC000852484365	DE	On-Demand	Anodyne	LUCI_PHOPE	21	41
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(C)c1	ZINC000852484370	CE	On-Demand	Anodyne	KCNK3	95	41
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(C)c1	ZINC000852484370	CE	On-Demand	Anodyne	KCNK9	80	41
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(C)c1	ZINC000852484371	CE	On-Demand	Anodyne	KCNK3	95	41
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(C)c1	ZINC000852484371	CE	On-Demand	Anodyne	KCNK9	80	41
COCCN(CCF)CC(=O)N1CCCc2ccccc21	ZINC000852484372	CD	On-Demand	Anodyne	AVPR2	42	41
COCCN(CCF)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F	ZINC000852484412	EF	On-Demand	Anodyne	RBP4	24	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F	ZINC000852484413	EF	On-Demand	Anodyne	RBP4	24	40
COCCN(CCF)[C@@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852484430	DD	On-Demand	Anodyne	DPP8	27	44
COCCN(CCF)[C@@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852484430	DD	On-Demand	Anodyne	NOD2	41	36
COCCN(CCF)[C@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852484431	DD	On-Demand	Anodyne	DPP8	27	44
COCCN(CCF)[C@H](C)C(=O)N1CCc2ccccc2C1	ZINC000852484431	DD	On-Demand	Anodyne	NOD2	41	36
COCCN(CCF)[C@H](C)C(=O)NC(=O)Nc1ccccc1	ZINC000852484458	DD	On-Demand	Anodyne	LPL	21	44
COCCN(CCF)[C@@H](C)C(=O)NC(=O)Nc1ccccc1	ZINC000852484459	DD	On-Demand	Anodyne	LPL	21	44
COCCN(CCF)CC(=O)Nc1ccsc1C(=O)OC	ZINC000852484464	DD	On-Demand	Anodyne	FAS	53	55
COCCN(CCF)C[C@@H](O)COc1ccc(Cl)c(Cl)c1	ZINC000852484480	EF	On-Demand	Anodyne	GRIN1	29	46
COCCN(CCF)C[C@H](O)COc1ccc(Cl)c(Cl)c1	ZINC000852484481	EF	On-Demand	Anodyne	GRIN1	29	46
COCCN(CCF)CC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000852484482	FD	On-Demand	Anodyne	SLC18A2	44	34
COCCN(CCF)CC(=O)N1CCc2cc(OC)c(OC)cc2C1	ZINC000852484482	FD	On-Demand	Anodyne	ABCB1	18	48
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852484500	FF	On-Demand	Anodyne	GCGR	15	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852484500	FF	On-Demand	Anodyne	P2RY1	58	39
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852484500	FF	On-Demand	Anodyne	CTSS	15	40
COCCN(CCF)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852484500	FF	On-Demand	Anodyne	EPHX2	47	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852484501	FF	On-Demand	Anodyne	GCGR	15	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852484501	FF	On-Demand	Anodyne	P2RY1	58	39
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852484501	FF	On-Demand	Anodyne	CTSS	15	40
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000852484501	FF	On-Demand	Anodyne	EPHX2	47	40
COCCN(CCF)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	ZINC000852484512	CE	On-Demand	Reactive	CACNA1C	45	38
COCCN(CCF)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	ZINC000852484512	CE	On-Demand	Reactive	CACNA1D	73	38
COCCN(CCF)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	ZINC000852484513	CE	On-Demand	Reactive	CACNA1C	45	38
COCCN(CCF)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	ZINC000852484513	CE	On-Demand	Reactive	CACNA1D	73	38
COCCN(CCF)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852484524	EC	On-Demand	Anodyne	CA2	45	47
COCCN(CCF)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852484524	EC	On-Demand	Anodyne	CA1	40	47
COCCN(CCF)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852484524	EC	On-Demand	Anodyne	CA4	66	47
COCCN(CCF)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852484524	EC	On-Demand	Anodyne	CA12	15	44
COCCN(CCF)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000852484524	EC	On-Demand	Anodyne	CA9	17	44
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852484542	FC	On-Demand	Anodyne	CA2	33	45
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852484542	FC	On-Demand	Anodyne	CA1	33	45
COCCN(CCF)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000852484542	FC	On-Demand	Anodyne	CA4	56	45
COCCN(CCF)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000852484562	GD	On-Demand	Anodyne	PKM	25	42
COCCN(CCF)CC(=O)Nc1cccc(NC(C)=O)c1	ZINC000852484563	DD	On-Demand	Anodyne	KCNK3	101	37
COCCN(CCF)CC(=O)Nc1cccc(NC(C)=O)c1	ZINC000852484563	DD	On-Demand	Anodyne	KCNK9	69	37
COCCN(CCF)C[C@@H](O)COc1ccc(F)cc1	ZINC000852484588	CD	On-Demand	Anodyne	GRIN1	20	43
COCCN(CCF)C[C@H](O)COc1ccc(F)cc1	ZINC000852484589	CD	On-Demand	Anodyne	GRIN1	20	43
COCCN(CCF)CC(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852484601	DE	On-Demand	Anodyne	UTS2	45	35
COCCN(CCF)CC(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000852484602	DE	On-Demand	Anodyne	UTS2	45	35
COCCN(CCF)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000852484647	FD	On-Demand	Anodyne	EPHX2	23	41
COCCN(CCF)[C@H](C)C(=O)NCc1ccccc1Cl	ZINC000852484648	DE	On-Demand	Anodyne	P2RX7	27	40
COCCN(CCF)[C@@H](C)C(=O)NCc1ccccc1Cl	ZINC000852484649	DE	On-Demand	Anodyne	P2RX7	27	40
COCCN(CCF)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000852484661	FF	On-Demand	Mild	VIPR1	36	56
COCCN(CCF)Cc1nc(-c2cccs2)oc1C	ZINC000852484671	CG	On-Demand	Anodyne	PPARA	26	40
COCCN(CCF)[C@H](C)C(=O)NCCc1cccs1	ZINC000852484683	DD	On-Demand	Anodyne	BMP1	17	41
COCCN(CCF)[C@@H](C)C(=O)NCCc1cccs1	ZINC000852484684	DD	On-Demand	Anodyne	BMP1	17	41
COCCN(CCF)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	ZINC000852484716	GF	On-Demand	Anodyne	EDNRB	52	36
COCCN(CCF)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	ZINC000852484716	GF	On-Demand	Anodyne	EDNRA	53	36
COCCN(CCF)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	ZINC000852484716	GF	On-Demand	Anodyne	BMP1	65	39
COCCN(CCF)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	ZINC000852484716	GF	On-Demand	Anodyne	NOS2	86	34
COCCN(CCF)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	ZINC000852484717	GF	On-Demand	Anodyne	EDNRB	52	36
COCCN(CCF)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	ZINC000852484717	GF	On-Demand	Anodyne	EDNRA	53	36
COCCN(CCF)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	ZINC000852484717	GF	On-Demand	Anodyne	BMP1	65	39
COCCN(CCF)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1	ZINC000852484717	GF	On-Demand	Anodyne	NOS2	86	34
COCCN(CCF)[C@@H](C)C(=O)N1CCCc2ccccc21	ZINC000852484721	DE	On-Demand	Anodyne	AVPR2	41	41
COCCN(CCF)[C@H](C)C(=O)N1CCCc2ccccc21	ZINC000852484722	DE	On-Demand	Anodyne	AVPR2	41	41
OC[C@H]1COCCN1Cc1ccc(-n2ccnc2)nc1	ZINC000852484730	CC	On-Demand	Anodyne	NOS2	42	38
COCCN(CCF)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484833	FG	On-Demand	Anodyne	CASR	21	44
COCCN(CCF)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484833	FG	On-Demand	Anodyne	MTNR1A	25	42
COCCN(CCF)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484833	FG	On-Demand	Anodyne	MTNR1B	28	44
COCCN(CCF)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484833	FG	On-Demand	Anodyne	TAAR1	35	46
COCCN(CCF)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484833	FG	On-Demand	Anodyne	KCNK3	73	45
COCCN(CCF)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484833	FG	On-Demand	Anodyne	KCNK9	65	38
COCCN(CCF)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484834	FG	On-Demand	Anodyne	CASR	21	44
COCCN(CCF)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484834	FG	On-Demand	Anodyne	MTNR1A	25	42
COCCN(CCF)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484834	FG	On-Demand	Anodyne	MTNR1B	28	44
COCCN(CCF)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484834	FG	On-Demand	Anodyne	TAAR1	35	46
COCCN(CCF)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484834	FG	On-Demand	Anodyne	KCNK3	73	45
COCCN(CCF)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1	ZINC000852484834	FG	On-Demand	Anodyne	KCNK9	65	38
COCCN(CCF)CCOc1ccc(C)cc1	ZINC000852484847	CE	On-Demand	Anodyne	ERG2	17	40
COCCN(CCF)CCOc1ccc(Cl)cc1	ZINC000852484870	CF	On-Demand	Anodyne	ERG2	17	42
COCCN(CCF)CCOc1ccc(Cl)cc1	ZINC000852484870	CF	On-Demand	Anodyne	EBP	18	42
COCCN(CCF)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852484879	FD	On-Demand	Anodyne	CFTR	51	34
COCCN(CCF)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC	ZINC000852484879	FD	On-Demand	Anodyne	ADAM9	63	35
COCCN(CCF)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852484881	FD	On-Demand	Anodyne	CFTR	51	34
COCCN(CCF)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC	ZINC000852484881	FD	On-Demand	Anodyne	ADAM9	63	35
O=C(CN1CCOC[C@@H]1CO)OCc1ccccc1	ZINC000852484891	CC	On-Demand	Anodyne	SLC12A5	55	33
COCCN(CCF)C[C@H](O)COc1cccc2ccccc12	ZINC000852484907	DE	On-Demand	Anodyne	ADRB1	15	48
COCCN(CCF)C[C@@H](O)COc1cccc2ccccc12	ZINC000852484909	DE	On-Demand	Anodyne	ADRB1	15	48
O=C(CN1CCOC[C@@H]1CO)Nc1ccc(N2CCCC2)cc1	ZINC000852484930	DC	On-Demand	Anodyne	MTOR	40	38
O=C(CN1CCOC[C@@H]1CO)Nc1ccc(-c2ccccc2)cc1	ZINC000852484947	ED	On-Demand	Anodyne	MTOR	71	39
O=C(CN1CCOC[C@@H]1CO)Nc1ccc(-c2ccccc2)cc1	ZINC000852484947	ED	On-Demand	Anodyne	SLC1A2	18	40
COCCN(CCF)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852484950	DE	On-Demand	Anodyne	ACE	19	40
COCCN(CCF)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852484950	DE	On-Demand	Anodyne	DRD4	24	43
COCCN(CCF)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852484950	DE	On-Demand	Anodyne	TPP2	60	36
COCCN(CCF)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852484951	DE	On-Demand	Anodyne	ACE	19	40
COCCN(CCF)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852484951	DE	On-Demand	Anodyne	DRD4	24	43
COCCN(CCF)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852484951	DE	On-Demand	Anodyne	TPP2	60	36
COCCN(CCF)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852484952	DE	On-Demand	Anodyne	ACE	19	40
COCCN(CCF)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852484952	DE	On-Demand	Anodyne	DRD4	24	43
COCCN(CCF)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000852484952	DE	On-Demand	Anodyne	TPP2	60	36
COCCN(CCF)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852484953	DE	On-Demand	Anodyne	ACE	19	40
COCCN(CCF)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852484953	DE	On-Demand	Anodyne	DRD4	24	43
COCCN(CCF)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C	ZINC000852484953	DE	On-Demand	Anodyne	TPP2	60	36
COCCN(CCF)CC(=O)NCc1ccccc1C	ZINC000852484954	CD	On-Demand	Anodyne	P2RX7	17	44
OC[C@H]1COCCN1Cc1cn(Cc2ccccc2)nn1	ZINC000852484969	CC	On-Demand	Anodyne	FIMH	16	46
OC[C@@H]1COCCN1Cc1cn(Cc2ccccc2)nn1	ZINC000852484970	CC	On-Demand	Anodyne	FIMH	16	46
COCCN(CCF)CC(=O)N1c2ccccc2C[C@H]1C	ZINC000852484975	CD	On-Demand	Anodyne	DRD4	26	48
COCCN(CCF)CC(=O)N1c2ccccc2C[C@H]1C	ZINC000852484975	CD	On-Demand	Anodyne	TPP2	41	33
COCCN(CCF)CC(=O)N1c2ccccc2C[C@@H]1C	ZINC000852484976	CD	On-Demand	Anodyne	DRD4	26	48
COCCN(CCF)CC(=O)N1c2ccccc2C[C@@H]1C	ZINC000852484976	CD	On-Demand	Anodyne	TPP2	41	33
COCCN(CCF)CC(=O)N(C)Cc1cccc(OC)c1	ZINC000852484981	DD	On-Demand	Anodyne	ROCK1	27	40
COCCN(CCF)CC(=O)N(C)Cc1cccc(OC)c1	ZINC000852484981	DD	On-Demand	Anodyne	ROCK2	35	40
COCCN(CCF)CC(=O)N(C)Cc1cccc(OC)c1	ZINC000852484981	DD	On-Demand	Anodyne	HSD17B2	27	47
O=C(CN1CCOC[C@@H]1CO)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852484985	FC	On-Demand	Anodyne	CNR2	20	42
OC[C@H]1COCCN1CCCCCCN1CCOC[C@@H]1CO	ZINC000852484992	DB	On-Demand	Anodyne	GBA2	52	33
OC[C@@H]1COCCN1CCCCCCN1CCOC[C@H]1CO	ZINC000852484994	DB	On-Demand	Anodyne	GBA2	52	33
OC[C@H]1COCCN1CCCCCCN1CCOC[C@H]1CO	ZINC000852484996	DB	On-Demand	Anodyne	GBA2	52	33
CC(C)(C)OC(=O)N1CCC(CCCN2CCOC[C@@H]2CO)CC1	ZINC000852485002	EE	On-Demand	Anodyne	GPR119	32	42
CC(C)(C)OC(=O)N1CCC(CN2CCOC[C@@H]2CO)CC1	ZINC000852485041	DD	On-Demand	Anodyne	GPR119	34	41
COCCN(CCF)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000852485052	GG	On-Demand	Anodyne	UTS2	51	41
COCCN(CCF)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1	ZINC000852485054	GG	On-Demand	Anodyne	UTS2	51	41
COCCN(CCF)CC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852485062	EE	On-Demand	Anodyne	GRIN2B	75	43
COCCN(CCF)CC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852485062	EE	On-Demand	Anodyne	SIGMAR1	22	42
COCCN(CCF)CC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852485062	EE	On-Demand	Anodyne	CCR3	32	42
COCCN(CCF)CC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000852485062	EE	On-Demand	Anodyne	AMY2	42	29
OC[C@@H]1COCCN1Cc1cccc(OCc2ccccc2)c1	ZINC000852485092	DE	On-Demand	Anodyne	MAOB	18	40
OC[C@@H]1COCCN1Cc1cccc(OCc2ccccc2)c1	ZINC000852485092	DE	On-Demand	Anodyne	SPHK1	16	48
COCCN(CCF)C[C@@H](O)COc1ccc(Cl)cc1	ZINC000852485095	DD	On-Demand	Anodyne	GRIN1	25	40
COCCN(CCF)C[C@@H](O)COc1ccc(Cl)cc1	ZINC000852485095	DD	On-Demand	Anodyne	CDK4	15	40
OC[C@H]1COCCN1Cc1cccc(OCc2ccccc2)c1	ZINC000852485096	DE	On-Demand	Anodyne	MAOB	18	40
OC[C@H]1COCCN1Cc1cccc(OCc2ccccc2)c1	ZINC000852485096	DE	On-Demand	Anodyne	SPHK1	16	48
COCCN(CCF)C[C@H](O)COc1ccc(Cl)cc1	ZINC000852485098	DD	On-Demand	Anodyne	GRIN1	25	40
COCCN(CCF)C[C@H](O)COc1ccc(Cl)cc1	ZINC000852485098	DD	On-Demand	Anodyne	CDK4	15	40
C=CCCNC(=O)NCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C	ZINC000852485105	FH	On-Demand	Mild	AVPR2	19	43
CC(C)(C)OC(=O)CCC1CCN(Cc2csc(Cl)n2)CC1	ZINC000852485116	EI	On-Demand	Anodyne	ACHE	29	40
CC(C)(C)OC(=O)CCC1CCN(Cc2csc(Cl)n2)CC1	ZINC000852485116	EI	On-Demand	Anodyne	CACNA1I	55	35
COc1ccc2c(CN3CCOC[C@@H]3CO)cc(=O)oc2c1	ZINC000852485147	DC	On-Demand	Anodyne	CYP19A1	15	51
COc1ccc2c(CN3CCOC[C@@H]3CO)cc(=O)oc2c1	ZINC000852485147	DC	On-Demand	Anodyne	CYP11B1	17	43
COc1ccc2c(CN3CCOC[C@@H]3CO)cc(=O)oc2c1	ZINC000852485147	DC	On-Demand	Anodyne	MAOB	27	44
COCCN(CCF)CC(=O)N1CCc2ccccc2C1	ZINC000852485155	CD	On-Demand	Anodyne	DPP8	15	44
COCCN(CCF)CC(=O)N1CCc2ccccc2C1	ZINC000852485155	CD	On-Demand	Anodyne	NOD2	41	36
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1C[C@H](O)C1CC1	ZINC000852485175	EG	On-Demand	Anodyne	ACE	15	47
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1C[C@@H](O)C1CC1	ZINC000852485177	EG	On-Demand	Anodyne	ACE	15	47
COCCN(CCF)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000852485178	GE	On-Demand	Anodyne	SSTR1	23	51
COCCN(CCF)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000852485178	GE	On-Demand	Anodyne	GALR3	54	33
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1C[C@@H](O)C1CC1	ZINC000852485179	EG	On-Demand	Anodyne	ACE	15	47
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1C[C@H](O)C1CC1	ZINC000852485181	EG	On-Demand	Anodyne	ACE	15	47
C=CCCNC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852485194	DF	On-Demand	Mild	CTSK	18	44
O=[N+]([O-])c1ccc([C@H](O)CN2CCOC[C@H]2CO)cc1	ZINC000852485215	CC	On-Demand	Bother	KCNJ1	15	40
O=[N+]([O-])c1ccc([C@@H](O)CN2CCOC[C@H]2CO)cc1	ZINC000852485216	CC	On-Demand	Bother	KCNJ1	15	40
O=[N+]([O-])c1ccc([C@H](O)CN2CCOC[C@@H]2CO)cc1	ZINC000852485217	CC	On-Demand	Bother	KCNJ1	15	40
O=[N+]([O-])c1ccc([C@@H](O)CN2CCOC[C@@H]2CO)cc1	ZINC000852485218	CC	On-Demand	Bother	KCNJ1	15	40
CC(C)(C)OC(=O)CCC1CCN(Cc2cccc(F)n2)CC1	ZINC000852485274	DH	On-Demand	Anodyne	ACHE	31	40
COCCN(CCF)CC(=O)Nc1c(C)cccc1C(C)C	ZINC000852485282	DF	On-Demand	Anodyne	SOAT1	40	37
CCOC(=O)[C@@H]1CCCCN1C(=O)CN(CCF)CCOC	ZINC000852485292	DC	On-Demand	Anodyne	FKBP1A	47	39
CCc1ccc([C@H](C)NC(=O)CN(CCF)CCOC)cc1	ZINC000852485294	DE	On-Demand	Anodyne	ACACA	15	41
CCc1ccc([C@H](C)NC(=O)CN(CCF)CCOC)cc1	ZINC000852485294	DE	On-Demand	Anodyne	ACACB	15	41
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1C[C@@H](O)CC(F)(F)F	ZINC000852485295	GH	On-Demand	Anodyne	TPP2	51	33
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1C[C@@H](O)CC(F)(F)F	ZINC000852485298	GH	On-Demand	Anodyne	TPP2	51	33
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1C[C@H](O)CC(F)(F)F	ZINC000852485300	GH	On-Demand	Anodyne	TPP2	51	33
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1C[C@H](O)CC(F)(F)F	ZINC000852485302	GH	On-Demand	Anodyne	TPP2	51	33
COCCN(CCF)CCOc1ccccc1	ZINC000852485315	BD	On-Demand	Anodyne	FDPS	15	40
COCCN(CCF)CCOc1ccccc1	ZINC000852485315	BD	On-Demand	Anodyne	ERG2	15	40
COCCN(CCF)CCOc1ccccc1	ZINC000852485315	BD	On-Demand	Anodyne	ESRRG	43	33
OC[C@H]1COCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000852485341	CF	On-Demand	Anodyne	FAAH	17	42
OC[C@H]1COCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000852485341	CF	On-Demand	Anodyne	CRTM	41	34
OC[C@@H]1COCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000852485342	CF	On-Demand	Anodyne	FAAH	17	42
OC[C@@H]1COCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000852485342	CF	On-Demand	Anodyne	CRTM	41	34
O=C(CN1CCOC[C@@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852485348	FB	On-Demand	Bother	SSTR1	45	44
O=C(CN1CCOC[C@@H]1CO)Nc1ccc(N2CCOCC2)cc1	ZINC000852485357	EC	On-Demand	Anodyne	MTOR	63	39
O=C(CN1CCOC[C@@H]1CO)Nc1ccc(N2CCOCC2)cc1	ZINC000852485357	EC	On-Demand	Anodyne	EPHX2	15	47
O=C(CN1CCOC[C@@H]1CO)Nc1ccc(N2CCOCC2)cc1	ZINC000852485357	EC	On-Demand	Anodyne	STAT6	52	32
CC(C)(C)OC(=O)CCC1CCN(Cc2cncc(C(F)(F)F)c2)CC1	ZINC000852485374	FI	On-Demand	Anodyne	ACHE	30	40
CC(C)(C)OC(=O)CCC1CCN(Cc2cncc(C(F)(F)F)c2)CC1	ZINC000852485374	FI	On-Demand	Anodyne	CACNA1I	38	40
C=CCCNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485392	FG	On-Demand	Mild	GRIN2B	17	40
C=CCCNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485392	FG	On-Demand	Mild	CTSK	19	41
C=CCCNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485392	FG	On-Demand	Mild	CTSL	22	41
C=CCCNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485392	FG	On-Demand	Mild	TGM2	52	43
C=CCCNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485392	FG	On-Demand	Mild	F13A1	46	43
C=CCCNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485394	FG	On-Demand	Mild	GRIN2B	17	40
C=CCCNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485394	FG	On-Demand	Mild	CTSK	19	41
C=CCCNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485394	FG	On-Demand	Mild	CTSL	22	41
C=CCCNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485394	FG	On-Demand	Mild	TGM2	52	43
C=CCCNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485394	FG	On-Demand	Mild	F13A1	46	43
C=CCCNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485395	FG	On-Demand	Mild	GRIN2B	17	40
C=CCCNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485395	FG	On-Demand	Mild	CTSK	19	41
C=CCCNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485395	FG	On-Demand	Mild	CTSL	22	41
C=CCCNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485395	FG	On-Demand	Mild	TGM2	52	43
C=CCCNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485395	FG	On-Demand	Mild	F13A1	46	43
C=CCCNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485396	FG	On-Demand	Mild	GRIN2B	17	40
C=CCCNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485396	FG	On-Demand	Mild	CTSK	19	41
C=CCCNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485396	FG	On-Demand	Mild	CTSL	22	41
C=CCCNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485396	FG	On-Demand	Mild	TGM2	52	43
C=CCCNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1	ZINC000852485396	FG	On-Demand	Mild	F13A1	46	43
C#CCCCN1CCC(CCC(=O)OC(C)(C)C)CC1	ZINC000852485418	CG	On-Demand	Mild	HTR4	24	40
CC(=O)c1ccc(N2CCN(C(=O)CN3CCOC[C@@H]3CO)CC2)c(F)c1	ZINC000852485483	GC	On-Demand	Anodyne	SLC6A9	28	54
COCCN(CCF)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852485492	CD	On-Demand	Anodyne	MME	49	40
COCCN(CCF)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852485492	CD	On-Demand	Anodyne	ANPEP	44	32
COCCN(CCF)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852485492	CD	On-Demand	Anodyne	CAPN2	45	37
COCCN(CCF)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852485492	CD	On-Demand	Anodyne	NPR	78	43
COCCN(CCF)[C@@H](C)C(=O)NCCc1ccccc1	ZINC000852485492	CD	On-Demand	Anodyne	AMP1_PLAFQ	37	45
COCCN(CCF)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852485493	CD	On-Demand	Anodyne	MME	49	40
COCCN(CCF)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852485493	CD	On-Demand	Anodyne	ANPEP	44	32
COCCN(CCF)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852485493	CD	On-Demand	Anodyne	CAPN2	45	37
COCCN(CCF)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852485493	CD	On-Demand	Anodyne	NPR	78	43
COCCN(CCF)[C@H](C)C(=O)NCCc1ccccc1	ZINC000852485493	CD	On-Demand	Anodyne	AMP1_PLAFQ	37	45
COCCN(CCF)[C@H](C)C(=O)Nc1cccc(SC)c1	ZINC000852485495	DF	On-Demand	Anodyne	KCNK3	41	33
COCCN(CCF)[C@@H](C)C(=O)Nc1cccc(SC)c1	ZINC000852485497	DF	On-Demand	Anodyne	KCNK3	41	33
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CC(=O)N1CCCC1	ZINC000852485511	FF	On-Demand	Anodyne	PREP	46	49
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CC(=O)N1CCCC1	ZINC000852485513	FF	On-Demand	Anodyne	PREP	46	49
C=CCCNC(=O)N1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852485544	FH	On-Demand	Mild	GPR119	28	42
C=CCCNC(=O)N1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852485545	FH	On-Demand	Mild	GPR119	28	42
CC(C)(C)OC(=O)CCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852485546	GE	On-Demand	Anodyne	ACHE	29	40
CC(C)(C)OC(=O)CCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852485546	GE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)OC(=O)CCC1CCN(C[C@@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852485546	GE	On-Demand	Anodyne	CYP2J2	52	39
CC(C)(C)OC(=O)CCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852485547	GE	On-Demand	Anodyne	ACHE	29	40
CC(C)(C)OC(=O)CCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852485547	GE	On-Demand	Anodyne	AMY2	53	30
CC(C)(C)OC(=O)CCC1CCN(C[C@](O)(C(N)=O)c2ccccc2)CC1	ZINC000852485547	GE	On-Demand	Anodyne	CYP2J2	52	39
COCCN(CCF)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852485555	DC	On-Demand	Anodyne	CA2	43	55
COCCN(CCF)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852485555	DC	On-Demand	Anodyne	CA1	36	55
COCCN(CCF)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852485555	DC	On-Demand	Anodyne	CA7	41	54
COCCN(CCF)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852485555	DC	On-Demand	Anodyne	CA4	29	45
COCCN(CCF)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852485555	DC	On-Demand	Anodyne	CA12	28	55
COCCN(CCF)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000852485555	DC	On-Demand	Anodyne	CA9	32	55
COCCN(CCF)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000852485557	FG	On-Demand	Mild	VIPR1	35	56
COCCN(CCF)CC(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000852485564	EC	On-Demand	Anodyne	CA2	15	52
COCCN(CCF)CC(=O)Nc1cccc(S(C)(=O)=O)c1	ZINC000852485564	EC	On-Demand	Anodyne	CA4	29	52
COCCN(CCF)CC(=O)NCc1ccc(OC)cc1	ZINC000852485566	CD	On-Demand	Anodyne	CA9	21	48
COCCN(CCF)[C@H](C)C(=O)N(C)c1ccccc1	ZINC000852485567	CD	On-Demand	Anodyne	AMY2	53	32
COCCN(CCF)[C@@H](C)C(=O)N(C)c1ccccc1	ZINC000852485568	CD	On-Demand	Anodyne	AMY2	53	32
COCCN(CCF)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000852485578	CF	On-Demand	Bother	CACNA1C	57	41
COCCN(CCF)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000852485578	CF	On-Demand	Bother	CACNA1D	89	39
COCCN(CCF)[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000852485579	CF	On-Demand	Bother	CACNA1C	57	41
COCCN(CCF)[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000852485579	CF	On-Demand	Bother	CACNA1D	89	39
COCCN(CCF)CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852485580	EC	On-Demand	Anodyne	CA2	68	64
COCCN(CCF)CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852485580	EC	On-Demand	Anodyne	CA1	60	64
COCCN(CCF)CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852485580	EC	On-Demand	Anodyne	CA5B	51	34
COCCN(CCF)CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852485580	EC	On-Demand	Anodyne	CA4	91	64
COCCN(CCF)CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852485580	EC	On-Demand	Anodyne	CA5A	59	34
COCCN(CCF)CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852485580	EC	On-Demand	Anodyne	CA12	27	64
COCCN(CCF)CC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000852485580	EC	On-Demand	Anodyne	CA9	34	46
COCCN(CCF)CC(=O)Nc1cccc(F)c1	ZINC000852485585	CD	On-Demand	Anodyne	KCNK3	51	39
COCCN(CCF)CC(=O)Nc1cccc(F)c1	ZINC000852485585	CD	On-Demand	Anodyne	KCNK9	52	39
COCCN(CCF)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2	ZINC000852485591	DD	On-Demand	Anodyne	EDNRB	52	36
COCCN(CCF)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2	ZINC000852485591	DD	On-Demand	Anodyne	EDNRA	48	37
COCCN(CCF)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2	ZINC000852485591	DD	On-Demand	Anodyne	DYRK2	44	36
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2	ZINC000852485592	DD	On-Demand	Anodyne	EDNRB	52	36
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2	ZINC000852485592	DD	On-Demand	Anodyne	EDNRA	48	37
COCCN(CCF)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2	ZINC000852485592	DD	On-Demand	Anodyne	DYRK2	44	36
COCCN(CCF)CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852485593	GD	On-Demand	Anodyne	SLC6A9	21	44
COCCN(CCF)CC(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852485610	EF	On-Demand	Anodyne	UTS2	39	40
COCCN(CCF)CC(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852485611	EF	On-Demand	Anodyne	UTS2	39	40
COCCN(CCF)Cc1nc(-c2ccccc2)oc1C	ZINC000852485624	CG	On-Demand	Anodyne	PPARG	75	43
COCCN(CCF)Cc1nc(-c2ccccc2)oc1C	ZINC000852485624	CG	On-Demand	Anodyne	PPARA	80	44
COCCN(CCF)Cc1nc(-c2ccccc2)oc1C	ZINC000852485624	CG	On-Demand	Anodyne	PDE8B	57	34
COCCN(CCF)CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC	ZINC000852485642	FE	On-Demand	Anodyne	FKBP1A	17	40
COCCN(CCF)CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC	ZINC000852485642	FE	On-Demand	Anodyne	ACKR3	63	33
COCCN(CCF)CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC	ZINC000852485643	FE	On-Demand	Anodyne	FKBP1A	17	40
COCCN(CCF)CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC	ZINC000852485643	FE	On-Demand	Anodyne	ACKR3	63	33
COCCN(CCF)Cc1ccc(C(=O)N2CCCC2)cc1	ZINC000852485659	DE	On-Demand	Anodyne	L3MBTL3	56	39
COCCN(CCF)CCOc1ccc(OC)cc1	ZINC000852485660	CD	On-Demand	Anodyne	ERG2	15	40
COCCN(CCF)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C	ZINC000852485661	DG	On-Demand	Anodyne	SOAT1	45	42
COCCN(CCF)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C	ZINC000852485663	DG	On-Demand	Anodyne	SOAT1	45	42
COCCN(CCF)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852485670	EE	On-Demand	Anodyne	EPHX2	63	47
COCCN(CCF)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000852485673	EE	On-Demand	Anodyne	EPHX2	63	47
CC(C)(C)OC(=O)N1CCC(CCN2CCOC[C@@H]2CO)CC1	ZINC000852485687	ED	On-Demand	Anodyne	GPR119	33	41
COCCN(CCF)CC(=O)Nc1ccccc1N1CCCC1=O	ZINC000852485713	ED	On-Demand	Anodyne	KCNQ2	69	37
COCCN(CCF)CC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852485716	FD	On-Demand	Anodyne	HTR1A	17	43
COCCN(CCF)CC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000852485716	FD	On-Demand	Anodyne	SSTR1	32	47
CC[C@@H](C)c1ccc(NC(=O)CN2CCOC[C@@H]2CO)cc1	ZINC000852485744	DD	On-Demand	Anodyne	SCN2A	15	41
CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852485759	GF	On-Demand	Anodyne	SMO	36	41
CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852485761	GF	On-Demand	Anodyne	SMO	36	41
O=C(CN1CCOC[C@@H]1CO)Nc1ccc2ccccc2c1	ZINC000852485767	DD	On-Demand	Anodyne	EPHX2	16	40
O=C(CN1CCOC[C@@H]1CO)Nc1ccc2ccccc2c1	ZINC000852485767	DD	On-Demand	Anodyne	IMDH_CRYPV	19	40
C[C@@H](O)CCCN1c2ccccc2CC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852485775	EG	On-Demand	Anodyne	ACE	18	49
C[C@@H](O)CCCN1c2ccccc2CC[C@H]1CNC(=O)OC(C)(C)C	ZINC000852485779	EG	On-Demand	Anodyne	ACE	18	49
CC(C)(C)OC(=O)CCC1CCN(Cc2cccnc2Cl)CC1	ZINC000852485795	EI	On-Demand	Anodyne	ACHE	44	43
CC(C)(C)OC(=O)CCC1CCN(Cc2cccnc2Cl)CC1	ZINC000852485795	EI	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CCN1CCCC1=O	ZINC000852485796	FF	On-Demand	Anodyne	ACE	15	44
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CCN1CCCC1=O	ZINC000852485797	FF	On-Demand	Anodyne	ACE	15	44
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CCC(=O)N1CCCC1	ZINC000852485802	GG	On-Demand	Anodyne	PREP	37	46
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CCC(=O)N1CCCC1	ZINC000852485804	GG	On-Demand	Anodyne	PREP	37	46
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CCN1CCOCC1	ZINC000852485806	GF	On-Demand	Anodyne	DRD2	28	47
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CCN1CCOCC1	ZINC000852485809	GF	On-Demand	Anodyne	DRD2	28	47
CCOC(=O)C1=C(CN2CCOC[C@@H]2CO)NC(=O)N[C@@H]1c1ccccc1	ZINC000852485827	GC	On-Demand	Anodyne	SLC27A4	72	34
CCOC(=O)C1=C(CN2CCOC[C@@H]2CO)NC(=O)N[C@H]1c1ccccc1	ZINC000852485830	GC	On-Demand	Anodyne	SLC27A4	72	34
C=CCCNC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1	ZINC000852485858	FI	On-Demand	Mild	MCHR1	27	41
OC[C@H]1COCCN1CCCCOc1ccccc1	ZINC000852485867	CD	On-Demand	Anodyne	LTA4H	32	40
OC[C@H]1COCCN1CCCCOc1ccccc1	ZINC000852485867	CD	On-Demand	Anodyne	UGCG	77	39
OC[C@H]1COCCN1CCCCOc1ccccc1	ZINC000852485867	CD	On-Demand	Anodyne	HRH3	24	54
OC[C@H]1COCCN1CCCCOc1ccccc1	ZINC000852485867	CD	On-Demand	Anodyne	EPHX2	16	43
OC[C@H]1COCCN1CCCCOc1ccccc1	ZINC000852485867	CD	On-Demand	Anodyne	GBA2	98	39
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000852485868	EH	On-Demand	Anodyne	ACHE	33	42
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000852485868	EH	On-Demand	Anodyne	SLC6A3	29	46
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000852485868	EH	On-Demand	Anodyne	GRIN2B	15	48
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000852485868	EH	On-Demand	Anodyne	SIGMAR1	16	40
OC[C@@H]1COCCN1CCCCOc1ccccc1	ZINC000852485869	CD	On-Demand	Anodyne	LTA4H	32	40
OC[C@@H]1COCCN1CCCCOc1ccccc1	ZINC000852485869	CD	On-Demand	Anodyne	UGCG	77	39
OC[C@@H]1COCCN1CCCCOc1ccccc1	ZINC000852485869	CD	On-Demand	Anodyne	HRH3	24	54
OC[C@@H]1COCCN1CCCCOc1ccccc1	ZINC000852485869	CD	On-Demand	Anodyne	EPHX2	16	43
OC[C@@H]1COCCN1CCCCOc1ccccc1	ZINC000852485869	CD	On-Demand	Anodyne	GBA2	98	39
OC[C@H]1COCCN1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852485889	DD	On-Demand	Anodyne	LUCI_PHOPY	71	46
OC[C@H]1COCCN1C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852485890	DD	On-Demand	Anodyne	LUCI_PHOPY	71	46
OC[C@H]1COCCN1CCOc1cccc(F)c1	ZINC000852485915	CC	On-Demand	Anodyne	CHRNA10	49	45
C=CCCNC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852485916	DE	On-Demand	Mild	ADRA1A	26	44
C=CCCNC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852485916	DE	On-Demand	Mild	ADRA1B	15	44
C=CCCNC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852485918	DE	On-Demand	Mild	ADRA1A	26	44
C=CCCNC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852485918	DE	On-Demand	Mild	ADRA1B	15	44
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	ACE	27	40
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	OPRD1	18	41
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CELA1	18	44
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	MME	63	46
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CASP3	15	41
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	KLK3	83	39
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CTSB	65	47
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	PAPA1_CARPA	82	40
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CYSP_TRYCR	42	38
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CTSK	36	42
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CTSL	38	41
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CAPNS1	67	39
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	HLA-DRB1	58	35
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CTSS	17	41
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CAPN1	97	43
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CASP1	29	42
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	CAPN2	137	41
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	NPR	86	42
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	PSMB5	48	40
C=CCCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852485922	CD	On-Demand	Mild	Q6PRC7_IXORI	43	34
C=CCCNC(=O)N1CCOc2ccc(OC)cc2C1	ZINC000852485930	CE	On-Demand	Mild	DRD4	40	30
C=CCCNC(=O)N1CCOc2ccc(OC)cc2C1	ZINC000852485930	CE	On-Demand	Mild	BMP1	41	35
C=CCCNC(=O)N1CCOc2ccc(OC)cc2C1	ZINC000852485930	CE	On-Demand	Mild	MTNR1A	32	42
CS(=O)(=O)c1cccc(NC(=O)CN2CCOC[C@@H]2CO)c1	ZINC000852485959	EB	On-Demand	Anodyne	EPHX2	17	40
CC(C)(C)OC(=O)CCC1CCN(CC(=O)Nc2ccc(Cl)nc2)CC1	ZINC000852485996	GH	On-Demand	Anodyne	CACNA1I	52	38
C=CCCNC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F	ZINC000852486008	FG	On-Demand	Mild	TRPV1	17	44
CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)N1CCC(F)(F)CC1	ZINC000852486020	FF	On-Demand	Anodyne	SMO	26	40
C[C@H](C(=O)Nc1cccnc1Cl)N1CCOC[C@H]1CO	ZINC000852486065	CC	On-Demand	Anodyne	G2YM83_BOTF4	67	34
C[C@H](C(=O)Nc1cccnc1Cl)N1CCOC[C@@H]1CO	ZINC000852486068	CC	On-Demand	Anodyne	G2YM83_BOTF4	67	34
CC(C)(C)OC(=O)CCC1CCN(CCOC(F)F)CC1	ZINC000852486123	DG	On-Demand	Anodyne	CACNA1I	43	39
Cn1cc(CCN2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)cn1	ZINC000852486124	FG	On-Demand	Anodyne	PANC	40	31
Cn1cc(CCN2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)cn1	ZINC000852486126	FG	On-Demand	Anodyne	PANC	40	31
CC(C)(C)OC(=O)CCC1CCN(Cc2cccc(Br)n2)CC1	ZINC000852486150	GI	On-Demand	Anodyne	ACHE	31	40
C#CCNC(=O)CCN1CCC(CCC(=O)OC(C)(C)C)CC1	ZINC000852486165	DD	On-Demand	Mild	CACNA1I	52	38
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CC(=O)NCC1CC1	ZINC000852486206	FF	On-Demand	Anodyne	ACACB	15	42
O=C(OCc1ccccc1)N1CCC(CN2CCOC[C@@H]2CO)CC1	ZINC000852486207	ED	On-Demand	Anodyne	GRIN2B	43	50
O=C(OCc1ccccc1)N1CCC(CN2CCOC[C@@H]2CO)CC1	ZINC000852486207	ED	On-Demand	Anodyne	PREP	23	40
O=C(OCc1ccccc1)N1CCC(CN2CCOC[C@@H]2CO)CC1	ZINC000852486207	ED	On-Demand	Anodyne	TGM2	32	44
O=C(OCc1ccccc1)N1CCC(CN2CCOC[C@@H]2CO)CC1	ZINC000852486207	ED	On-Demand	Anodyne	F13A1	44	44
O=C(OCc1ccccc1)N1CCC(CN2CCOC[C@@H]2CO)CC1	ZINC000852486207	ED	On-Demand	Anodyne	CCR8	16	41
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CC(=O)NCC1CC1	ZINC000852486208	FF	On-Demand	Anodyne	ACACB	15	42
CC(C)(C)OC(=O)CCC1CCN(Cc2ccnc(Br)c2)CC1	ZINC000852486210	GI	On-Demand	Anodyne	ACHE	46	45
CC(C)(C)OC(=O)CCC1CCN(Cc2ccnc(Br)c2)CC1	ZINC000852486210	GI	On-Demand	Anodyne	SSTR5	47	35
CC(C)(C)OC(=O)CCC1CCN(Cc2ccnc(Br)c2)CC1	ZINC000852486210	GI	On-Demand	Anodyne	CACNA1I	51	39
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CC(=O)N1CCC1	ZINC000852486231	FF	On-Demand	Anodyne	PREP	37	46
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CC(=O)N1CCC1	ZINC000852486232	FF	On-Demand	Anodyne	PREP	37	46
CC(C)(C)OC(=O)CCC1CCN(Cc2cnc(Cl)c(F)c2)CC1	ZINC000852486239	FI	On-Demand	Anodyne	ACHE	43	42
CC(C)(C)OC(=O)CCC1CCN(Cc2cnc(Cl)c(F)c2)CC1	ZINC000852486239	FI	On-Demand	Anodyne	SSTR5	41	35
CC(C)(C)OC(=O)CCC1CCN(Cc2cnc(Cl)c(F)c2)CC1	ZINC000852486239	FI	On-Demand	Anodyne	CACNA1I	52	38
CC(C)(C)OC(=O)CCC1CCN(CCn2cnc(Br)n2)CC1	ZINC000852486266	GF	On-Demand	Anodyne	CACNA1I	48	36
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CCN1C(=O)CCC1=O	ZINC000852486309	GE	On-Demand	Anodyne	ACE	15	48
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CCN1C(=O)CCC1=O	ZINC000852486310	GE	On-Demand	Anodyne	ACE	15	48
C=CCCNC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1	ZINC000852486316	EF	On-Demand	Mild	SIRT2	15	40
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1Cc1cnon1	ZINC000852486336	EF	On-Demand	Anodyne	PANC	41	31
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1Cc1cnon1	ZINC000852486337	EF	On-Demand	Anodyne	PANC	41	31
Cn1cc(CN2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)cn1	ZINC000852486347	FG	On-Demand	Anodyne	PANC	41	32
Cn1cc(CN2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)cn1	ZINC000852486348	FG	On-Demand	Anodyne	PANC	41	32
CC(C)(C)OC(=O)CCC1CCN(CC2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852486418	GG	On-Demand	Anodyne	ACHE	33	40
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CC(=O)NCC#N	ZINC000852486436	FD	On-Demand	Mild	PAPA1_CARPA	34	40
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CC(=O)NCC#N	ZINC000852486437	FD	On-Demand	Mild	PAPA1_CARPA	34	40
CC(C)(C)OC(=O)CCC1CCN(CCC(=O)N2CCCC2)CC1	ZINC000852486476	EF	On-Demand	Anodyne	CACNA1I	42	35
CC(C)(C)OC(=O)NC[C@H]1CCc2ccccc2N1CCCN1CCCC1=O	ZINC000852486489	GG	On-Demand	Anodyne	TYRO3	18	41
CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2N1CCCN1CCCC1=O	ZINC000852486490	GG	On-Demand	Anodyne	TYRO3	18	41
CCOC[C@H](O)CN1c2ccccc2CC[C@H]1CNC(=O)OC(C)(C)C	ZINC000852486505	FF	On-Demand	Anodyne	TPP2	52	34
CCOC[C@H](O)CN1c2ccccc2CC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852486506	FF	On-Demand	Anodyne	TPP2	52	34
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	CHRM2	17	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	CHRM1	17	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	ACHE	32	40
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	SLC6A4	16	60
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	HRH1	16	50
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	SLC6A3	38	60
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	HTR4	45	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	CHRM4	16	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	CHRM3	20	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	GRIN2B	27	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	TACR2	16	40
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	SIGMAR1	22	40
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	CCR5	68	47
CC(C)(C)OC(=O)CCC1CCN(CC[C@H](O)c2ccccc2)CC1	ZINC000852486532	EH	On-Demand	Anodyne	CYP2J2	49	37
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	CHRM2	17	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	CHRM1	17	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	ACHE	32	40
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	SLC6A4	16	60
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	HRH1	16	50
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	SLC6A3	38	60
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	HTR4	45	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	CHRM4	16	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	CHRM3	20	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	GRIN2B	27	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	TACR2	16	40
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	SIGMAR1	22	40
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	CCR5	68	47
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H](O)c2ccccc2)CC1	ZINC000852486533	EH	On-Demand	Anodyne	CYP2J2	49	37
C=CCCNC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852486536	DF	On-Demand	Mild	EPHX2	18	45
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000852486550	EI	On-Demand	Anodyne	ACHE	50	45
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000852486550	EI	On-Demand	Anodyne	SSTR5	41	39
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000852486550	EI	On-Demand	Anodyne	CACNA1I	50	44
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000852486550	EI	On-Demand	Anodyne	Q8WSF8_APLCA	40	36
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(Cl)nc2)CC1	ZINC000852486550	EI	On-Demand	Anodyne	NACHRBETA2	46	36
C[C@H](O)CN1c2ccccc2CC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852486565	DF	On-Demand	Anodyne	ACE	19	49
C[C@H](O)CN1c2ccccc2CC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852486565	DF	On-Demand	Anodyne	REN	41	35
C[C@H](O)CN1c2ccccc2CC[C@H]1CNC(=O)OC(C)(C)C	ZINC000852486568	DF	On-Demand	Anodyne	ACE	19	49
C[C@H](O)CN1c2ccccc2CC[C@H]1CNC(=O)OC(C)(C)C	ZINC000852486568	DF	On-Demand	Anodyne	REN	41	35
C[C@@H](CO)CN1c2ccccc2CC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852486578	EF	On-Demand	Anodyne	ACE	18	46
C[C@H](CO)CN1c2ccccc2CC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852486579	EF	On-Demand	Anodyne	ACE	18	46
C[C@H](CO)CN1c2ccccc2CC[C@H]1CNC(=O)OC(C)(C)C	ZINC000852486580	EF	On-Demand	Anodyne	ACE	18	46
C[C@@H](CO)CN1c2ccccc2CC[C@H]1CNC(=O)OC(C)(C)C	ZINC000852486581	EF	On-Demand	Anodyne	ACE	18	46
O=C(c1ccc(CN2CCOC[C@@H]2CO)cc1)N1CCCC1	ZINC000852486585	DD	On-Demand	Anodyne	L3MBTL3	72	45
O=C(c1ccc(CN2CCOC[C@H]2CO)cc1)N1CCCC1	ZINC000852486586	DD	On-Demand	Anodyne	L3MBTL3	72	45
COC[C@@H](O)CN1c2ccccc2CC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852486587	FE	On-Demand	Anodyne	ACE	17	47
COC[C@@H](O)CN1c2ccccc2CC[C@H]1CNC(=O)OC(C)(C)C	ZINC000852486588	FE	On-Demand	Anodyne	ACE	17	47
C=CCCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852486597	CE	On-Demand	Mild	ADRB1	36	47
C=CCCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852486597	CE	On-Demand	Mild	ADRB3	51	47
C=CCCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852486598	CE	On-Demand	Mild	ADRB1	36	47
C=CCCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852486598	CE	On-Demand	Mild	ADRB3	51	47
C=CCCNC(=O)NCc1ccc(OC)cc1O	ZINC000852486606	CD	On-Demand	Mild	MTNR1A	71	42
C=CCCNC(=O)NCc1ccc(OC)cc1O	ZINC000852486606	CD	On-Demand	Mild	MTNR1B	59	36
C=CCCNC(=O)NC[C@@H](O)c1cc(OC)ccc1OC	ZINC000852486607	CD	On-Demand	Mild	MTNR1A	44	46
C=CCCNC(=O)NC[C@H](O)c1cc(OC)ccc1OC	ZINC000852486608	CD	On-Demand	Mild	MTNR1A	44	46
C=CCCNC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852486615	DH	On-Demand	Mild	CCR2	40	41
C=CCCNC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852486615	DH	On-Demand	Mild	EPHX2	18	45
C=CCCNC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852486615	DH	On-Demand	Mild	TRPM8	44	35
C=CCCNC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852486616	DH	On-Demand	Mild	CCR2	40	41
C=CCCNC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852486616	DH	On-Demand	Mild	EPHX2	18	45
C=CCCNC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000852486616	DH	On-Demand	Mild	TRPM8	44	35
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000852486623	GG	On-Demand	Bother	CACNA1C	46	34
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000852486623	GG	On-Demand	Bother	CACNA1D	64	34
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000852486624	GG	On-Demand	Bother	CACNA1C	46	34
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000852486624	GG	On-Demand	Bother	CACNA1D	64	34
C=CCCNC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852486626	DC	On-Demand	Mild	TMPRSS11D	44	34
CC(C)(C)OC(=O)CCC1CCN(CCCI)CC1	ZINC000852486632	GH	On-Demand	Reactive	HTR4	27	41
C=CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852486678	CE	On-Demand	Mild	THRA	47	38
C=CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852486678	CE	On-Demand	Mild	THRB	52	38
C=CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852486678	CE	On-Demand	Mild	MTNR1A	45	39
C=CCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852486680	CE	On-Demand	Mild	THRA	47	38
C=CCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852486680	CE	On-Demand	Mild	THRB	52	38
C=CCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852486680	CE	On-Demand	Mild	MTNR1A	45	39
C=CCCNC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852486691	EF	On-Demand	Mild	GPR119	36	44
Cc1nc(CN2c3ccccc3CC[C@H]2CNC(=O)OC(C)(C)C)c(C)o1	ZINC000852486698	FI	On-Demand	Anodyne	PDE8B	51	33
Cc1nc(CN2c3ccccc3CC[C@@H]2CNC(=O)OC(C)(C)C)c(C)o1	ZINC000852486701	FI	On-Demand	Anodyne	PDE8B	51	33
C=CCCNC(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1	ZINC000852486702	DF	On-Demand	Mild	MMP13	19	41
C=CCCNC(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1	ZINC000852486702	DF	On-Demand	Mild	MMP3	15	41
C=CCCNC(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1	ZINC000852486703	DF	On-Demand	Mild	MMP13	19	41
C=CCCNC(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1	ZINC000852486703	DF	On-Demand	Mild	MMP3	15	41
CC(C)(C)OC(=O)CCC1CCN(Cc2cnc(Cl)cn2)CC1	ZINC000852486726	EG	On-Demand	Anodyne	CACNA1I	47	34
C=CCCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852486751	CD	On-Demand	Mild	MME	60	38
C=CCCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852486751	CD	On-Demand	Mild	ANPEP	49	35
C=CCCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852486751	CD	On-Demand	Mild	NPFFR2	45	34
C=CCCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852486751	CD	On-Demand	Mild	POLG_WNV	41	32
C=CCCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852486751	CD	On-Demand	Mild	NPFFR1	66	34
C=CCCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852486752	CD	On-Demand	Mild	MME	60	38
C=CCCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852486752	CD	On-Demand	Mild	ANPEP	49	35
C=CCCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852486752	CD	On-Demand	Mild	NPFFR2	45	34
C=CCCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852486752	CD	On-Demand	Mild	POLG_WNV	41	32
C=CCCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852486752	CD	On-Demand	Mild	NPFFR1	66	34
C=CCCNC(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852486829	EG	On-Demand	Mild	CTSK	16	41
C=CCCNC(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852486830	EG	On-Demand	Mild	CTSK	16	41
CC(C)(C)OC(=O)CCC1CCN(Cc2cccc(Cl)n2)CC1	ZINC000852486835	EI	On-Demand	Anodyne	ACHE	44	42
CC(C)(C)OC(=O)CCC1CCN(Cc2cccc(Cl)n2)CC1	ZINC000852486835	EI	On-Demand	Anodyne	CACNA1I	48	35
CC(C)(C)OC(=O)CCC1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1	ZINC000852486841	GH	On-Demand	Anodyne	HSD17B3	33	47
CC(C)(C)OC(=O)CCC1CCN(Cc2cc(=O)oc3cc(O)ccc23)CC1	ZINC000852486841	GH	On-Demand	Anodyne	KDM1A	16	48
C#CCNC(=O)CN1CCC(CCC(=O)OC(C)(C)C)CC1	ZINC000852486843	DD	On-Demand	Mild	CACNA1I	49	40
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc3c(c2)COC3)CC1	ZINC000852486854	EI	On-Demand	Anodyne	ACHE	46	45
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc3c(c2)COC3)CC1	ZINC000852486854	EI	On-Demand	Anodyne	CACNA1I	49	36
C=CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852486865	DE	On-Demand	Mild	PRSS1	24	42
C=CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852486865	DE	On-Demand	Mild	ACE	33	43
C=CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852486865	DE	On-Demand	Mild	MME	23	43
C=CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852486866	DE	On-Demand	Mild	PRSS1	24	42
C=CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852486866	DE	On-Demand	Mild	ACE	33	43
C=CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852486866	DE	On-Demand	Mild	MME	23	43
C=CCCNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852486867	CD	On-Demand	Mild	ADRB2	18	44
C=CCCNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852486867	CD	On-Demand	Mild	ADRB1	51	39
C=CCCNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852486867	CD	On-Demand	Mild	PDS	44	41
C=CCCNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852486868	CD	On-Demand	Mild	ADRB2	18	44
C=CCCNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852486868	CD	On-Demand	Mild	ADRB1	51	39
C=CCCNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852486868	CD	On-Demand	Mild	PDS	44	41
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852486884	FF	On-Demand	Anodyne	ACHE	19	40
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852486884	FF	On-Demand	Anodyne	HTR4	40	45
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852486884	FF	On-Demand	Anodyne	CACNA1I	44	36
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852486884	FF	On-Demand	Anodyne	SIRT3	43	36
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852486884	FF	On-Demand	Anodyne	SIRT2	40	36
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NCc2ccccn2)CC1	ZINC000852486884	FF	On-Demand	Anodyne	SIRT1	41	36
CC(C)(C)OC(=O)CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1	ZINC000852486892	GH	On-Demand	Anodyne	CYP2J2	43	32
CC(C)(C)OC(=O)CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1	ZINC000852486893	GH	On-Demand	Anodyne	CYP2J2	43	32
CC(C)(C)OC(=O)CCC1CCN(C[C@](C)(O)c2ccccc2)CC1	ZINC000852486895	EH	On-Demand	Anodyne	ACHE	38	43
CC(C)(C)OC(=O)CCC1CCN(C[C@](C)(O)c2ccccc2)CC1	ZINC000852486895	EH	On-Demand	Anodyne	HTR4	23	40
CC(C)(C)OC(=O)CCC1CCN(C[C@](C)(O)c2ccccc2)CC1	ZINC000852486895	EH	On-Demand	Anodyne	CHRM3	42	37
CC(C)(C)OC(=O)CCC1CCN(C[C@](C)(O)c2ccccc2)CC1	ZINC000852486895	EH	On-Demand	Anodyne	AMY2	52	30
CC(C)(C)OC(=O)CCC1CCN(C[C@](C)(O)c2ccccc2)CC1	ZINC000852486895	EH	On-Demand	Anodyne	CACNA1I	46	34
CC(C)(C)OC(=O)CCC1CCN(C[C@](C)(O)c2ccccc2)CC1	ZINC000852486895	EH	On-Demand	Anodyne	CYP2J2	56	42
CC(C)(C)OC(=O)CCC1CCN(C[C@@](C)(O)c2ccccc2)CC1	ZINC000852486896	EH	On-Demand	Anodyne	ACHE	38	43
CC(C)(C)OC(=O)CCC1CCN(C[C@@](C)(O)c2ccccc2)CC1	ZINC000852486896	EH	On-Demand	Anodyne	HTR4	23	40
CC(C)(C)OC(=O)CCC1CCN(C[C@@](C)(O)c2ccccc2)CC1	ZINC000852486896	EH	On-Demand	Anodyne	CHRM3	42	37
CC(C)(C)OC(=O)CCC1CCN(C[C@@](C)(O)c2ccccc2)CC1	ZINC000852486896	EH	On-Demand	Anodyne	AMY2	52	30
CC(C)(C)OC(=O)CCC1CCN(C[C@@](C)(O)c2ccccc2)CC1	ZINC000852486896	EH	On-Demand	Anodyne	CACNA1I	46	34
CC(C)(C)OC(=O)CCC1CCN(C[C@@](C)(O)c2ccccc2)CC1	ZINC000852486896	EH	On-Demand	Anodyne	CYP2J2	56	42
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000852486901	GH	On-Demand	Bother	ACHE	22	43
Cc1nc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)nc2ccccc12	ZINC000852486903	FI	On-Demand	Anodyne	ACHE	48	43
Cc1nc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)nc2ccccc12	ZINC000852486903	FI	On-Demand	Anodyne	ACACB	15	41
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	HTR1A	91	52
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	DRD2	69	46
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	DRD1	17	43
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	DRD4	54	45
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	ADRA1D	37	44
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	HTR2A	63	52
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	HTR2C	39	46
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	SLC6A4	20	46
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	ADRA1A	46	44
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	ADRA1B	24	44
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	DRD3	99	50
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	HTR7	99	52
C=CCCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1	ZINC000852486908	EE	On-Demand	Mild	CCR3	18	41
C=CCCNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852486909	CG	On-Demand	Mild	ADRA1A	48	37
C=CCCNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852486910	CG	On-Demand	Mild	ADRA1A	48	37
CN1C(=O)CCc2cc(CN3CCC(CCC(=O)OC(C)(C)C)CC3)ccc21	ZINC000852486921	GH	On-Demand	Anodyne	ACHE	40	49
C=CCCNC(=O)NCCNc1ncccc1C#N	ZINC000852486991	CD	On-Demand	Mild	ADRB1	41	32
C=CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	ZINC000852487003	FG	On-Demand	Mild	SERPINE1	19	40
CC(C)(C)OC(=O)CCC1CCN(CCN2CCOC2=O)CC1	ZINC000852487012	EE	On-Demand	Anodyne	HTR4	18	40
CC(C)(C)OC(=O)CCC1CCN(Cc2cnc(Cl)s2)CC1	ZINC000852487020	EI	On-Demand	Anodyne	CACNA1I	46	33
CC(C)(C)OC(=O)CCC1CCN(CCCNC(=O)C(F)(F)F)CC1	ZINC000852487030	FF	On-Demand	Anodyne	HTR4	25	41
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000852487036	EH	On-Demand	Anodyne	ACHE	33	42
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000852487036	EH	On-Demand	Anodyne	SLC6A3	29	46
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000852487036	EH	On-Demand	Anodyne	GRIN2B	15	48
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000852487036	EH	On-Demand	Anodyne	SIGMAR1	16	40
CC(C)(C)OC(=O)CCC1CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1	ZINC000852487052	GI	On-Demand	Anodyne	ACHE	20	41
C=CCCNC(=O)NCCc1c[nH]c2cccc(OC)c12	ZINC000852487064	CF	On-Demand	Mild	NQO2	27	48
C=CCCNC(=O)NCCc1c[nH]c2cccc(OC)c12	ZINC000852487064	CF	On-Demand	Mild	MTNR1A	24	45
CC(C)(C)OC(=O)CCC1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1	ZINC000852487074	GF	On-Demand	Anodyne	HTR4	32	41
CC(C)(C)OC(=O)CCC1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1	ZINC000852487074	GF	On-Demand	Anodyne	CACNA1I	42	35
CC(C)(C)OC(=O)CCC1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852487075	GH	On-Demand	Anodyne	DRD2	17	42
CC(C)(C)OC(=O)CCC1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852487075	GH	On-Demand	Anodyne	DRD4	40	38
CC(C)(C)OC(=O)CCC1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852487075	GH	On-Demand	Anodyne	ACHE	60	51
CC(C)(C)OC(=O)CCC1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852487075	GH	On-Demand	Anodyne	HTR4	23	40
CC(C)(C)OC(=O)CCC1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852487075	GH	On-Demand	Anodyne	SIGMAR1	52	44
CC(C)(C)OC(=O)CCC1CCN(Cc2cn(Cc3ccccc3)nn2)CC1	ZINC000852487075	GH	On-Demand	Anodyne	KDM1A	17	42
C=CCCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852487076	CE	On-Demand	Mild	CTSK	17	44
C=CCCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000852487077	CE	On-Demand	Mild	CTSK	17	44
C=CCCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852487092	CD	On-Demand	Mild	CAPN2	42	31
C=CCCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852487092	CD	On-Demand	Mild	NPR	45	33
C=CCCNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000852487099	CH	On-Demand	Mild	AKR1C3	16	40
CC(C)(C)OC(=O)CCC1CCN(CC[C@H]2CCOC2=O)CC1	ZINC000852487103	EF	On-Demand	Anodyne	HTR4	19	41
CC(C)(C)OC(=O)CCC1CCN(CC[C@@H]2CCOC2=O)CC1	ZINC000852487104	EF	On-Demand	Anodyne	HTR4	19	41
C=CCCNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852487109	CF	On-Demand	Mild	KCNA3	29	46
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000852487110	FI	On-Demand	Bother	ACHE	36	42
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000852487110	FI	On-Demand	Bother	SIGMAR1	21	40
C=CCCNC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852487114	FG	On-Demand	Mild	GPR119	21	40
C=CCCNC(=O)N1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852487115	FG	On-Demand	Mild	GPR119	21	40
C=CCCNC(=O)N1CCC[C@H](C(=O)NCCCCCC)C1	ZINC000852487116	DF	On-Demand	Mild	TPP2	22	40
C=CCCNC(=O)N1CCC[C@H](C(=O)NCCCCCC)C1	ZINC000852487116	DF	On-Demand	Mild	ASAH1	88	35
C=CCCNC(=O)N1CCC[C@@H](C(=O)NCCCCCC)C1	ZINC000852487117	DF	On-Demand	Mild	TPP2	22	40
C=CCCNC(=O)N1CCC[C@@H](C(=O)NCCCCCC)C1	ZINC000852487117	DF	On-Demand	Mild	ASAH1	88	35
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	ZINC000852487118	GE	On-Demand	Reactive	ACHE	32	44
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	ZINC000852487118	GE	On-Demand	Reactive	HTR4	28	42
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	ZINC000852487118	GE	On-Demand	Reactive	CACNA1I	62	40
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	ZINC000852487118	GE	On-Demand	Reactive	CCR8	21	41
C=CCCNC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852487136	DF	On-Demand	Mild	CACNA1I	43	34
C=CCCNC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852487136	DF	On-Demand	Mild	GPR119	33	40
C[C@H](C(=O)Nc1cccnc1Cl)N1C[C@@H]2COC[C@]2(C(=O)OC(C)(C)C)C1	ZINC000852487140	GE	On-Demand	Anodyne	G2YM83_BOTF4	50	32
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1	ZINC000852487142	FH	On-Demand	Anodyne	CACNA1I	40	32
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1	ZINC000852487143	FH	On-Demand	Anodyne	CACNA1I	40	32
C=CCCNC(=O)NC[C@H](O)c1cccc(OC(C)C)c1	ZINC000852487152	CE	On-Demand	Mild	ADRB1	27	40
C=CCCNC(=O)NC[C@H](O)c1cccc(OC(C)C)c1	ZINC000852487152	CE	On-Demand	Mild	ADRB3	48	39
C=CCCNC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1	ZINC000852487153	CE	On-Demand	Mild	ADRB1	27	40
C=CCCNC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1	ZINC000852487153	CE	On-Demand	Mild	ADRB3	48	39
CC(C)(C)OC(=O)CCC1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000852487155	GF	On-Demand	Anodyne	CA2	64	45
CC(C)(C)OC(=O)CCC1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000852487155	GF	On-Demand	Anodyne	CA1	61	45
CC(C)(C)OC(=O)CCC1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000852487155	GF	On-Demand	Anodyne	CA7	46	39
CC(C)(C)OC(=O)CCC1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000852487155	GF	On-Demand	Anodyne	CCR5	19	41
CC(C)(C)OC(=O)CCC1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000852487155	GF	On-Demand	Anodyne	CA12	43	38
CC(C)(C)OC(=O)CCC1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000852487155	GF	On-Demand	Anodyne	CA9	50	45
CC(C)(C)OC(=O)CCC1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000852487155	GF	On-Demand	Anodyne	NCE103	16	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2ccnc(N)c2)C1	ZINC000852487183	GH	On-Demand	Anodyne	GPR119	48	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H](O)c2ccccn2)C1	ZINC000852487185	GG	On-Demand	Anodyne	EPHX2	18	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H](O)c2ccccn2)C1	ZINC000852487185	GG	On-Demand	Anodyne	GPR119	45	45
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H](O)c2ccccn2)C1	ZINC000852487186	GG	On-Demand	Anodyne	EPHX2	18	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H](O)c2ccccn2)C1	ZINC000852487186	GG	On-Demand	Anodyne	GPR119	45	45
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCCN2CCNC2=O)C1	ZINC000852487188	GE	On-Demand	Anodyne	GPR119	26	40
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(N)=O	ZINC000852487193	EE	On-Demand	Anodyne	GPR119	36	45
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(N)=O	ZINC000852487193	EE	On-Demand	Anodyne	SFRP1	39	40
CCN(C)C(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487194	GG	On-Demand	Anodyne	GPR119	31	41
Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)nc(C)n1	ZINC000852487217	GH	On-Demand	Anodyne	ADAM17	22	40
Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)nc(C)n1	ZINC000852487217	GH	On-Demand	Anodyne	GPR119	36	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC[C@@H]2CCNC2=O)C1	ZINC000852487233	GF	On-Demand	Anodyne	GPR119	25	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC[C@H]2CCNC2=O)C1	ZINC000852487234	GF	On-Demand	Anodyne	GPR119	25	42
C[C@H](C#N)OCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487241	FG	On-Demand	Mild	GPR119	33	42
C[C@@H](C#N)OCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487242	FG	On-Demand	Mild	GPR119	33	42
COC[C@@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)OC	ZINC000852487267	GG	On-Demand	Anodyne	GPR119	30	42
CCN1CC[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1=O	ZINC000852487270	GF	On-Demand	Anodyne	GPR119	29	42
C[S@](=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487272	FF	On-Demand	Anodyne	GPR119	35	41
C[S@@](=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487273	FF	On-Demand	Anodyne	GPR119	35	41
C=CCCNC(=O)N(C)Cc1cccc(C(N)=O)c1	ZINC000852487281	CD	On-Demand	Mild	HSD17B2	22	40
CC(C)(C)OC(=O)CCC1CCN(CCN2CCCC2)CC1	ZINC000852487283	DF	On-Demand	Anodyne	CACNA1I	44	36
C=CCCNC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	ZINC000852487285	EE	On-Demand	Mild	NPY2R	59	36
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NOCc2ccccc2)CC1	ZINC000852487294	GG	On-Demand	Anodyne	ACHE	47	43
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NOCc2ccccc2)CC1	ZINC000852487294	GG	On-Demand	Anodyne	GRIN2B	39	41
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NOCc2ccccc2)CC1	ZINC000852487294	GG	On-Demand	Anodyne	SIGMAR1	31	40
CC(C)(C)OC(=O)CCC1CCN(CC(=O)NOCc2ccccc2)CC1	ZINC000852487294	GG	On-Demand	Anodyne	CACNA1I	48	37
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(CCC(=O)OC(C)(C)C)CC1	ZINC000852487325	GH	On-Demand	Anodyne	G2YM83_BOTF4	51	34
CC(C)(C)OC(=O)CCC1CCN(CCC2OCCCO2)CC1	ZINC000852487328	EF	On-Demand	Anodyne	HTR4	21	43
CC(C)(C)OC(=O)CCC1CCN(CCC2OCCCO2)CC1	ZINC000852487328	EF	On-Demand	Anodyne	CACNA1I	42	34
CC(C)(C)OC(=O)CCC1CCN(CCC2OCCO2)CC1	ZINC000852487331	DF	On-Demand	Anodyne	HTR4	22	41
C=CCCNC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852487332	CH	On-Demand	Mild	SLC18A3	47	37
C=CCCNC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852487332	CH	On-Demand	Mild	EPHX2	31	43
C=CCCNC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852487333	CH	On-Demand	Mild	SLC18A3	47	37
C=CCCNC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852487333	CH	On-Demand	Mild	EPHX2	31	43
C=CCCNC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852487339	CD	On-Demand	Reactive	MTNR1A	44	36
C=CCCNC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852487339	CD	On-Demand	Reactive	CA9	15	41
C=CCCNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852487340	CE	On-Demand	Mild	EPHX2	18	46
C=CCCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000852487344	DE	On-Demand	Mild	DRD4	44	37
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1	ZINC000852487348	FH	On-Demand	Anodyne	SLC6A3	40	44
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1	ZINC000852487348	FH	On-Demand	Anodyne	CCR3	22	40
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2ccc(F)cc2)CC1	ZINC000852487349	FH	On-Demand	Anodyne	SLC6A3	40	44
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2ccc(F)cc2)CC1	ZINC000852487349	FH	On-Demand	Anodyne	CCR3	22	40
C=CCCNC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852487353	CD	On-Demand	Mild	DRD4	40	30
C=CCCNC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852487353	CD	On-Demand	Mild	ADRB3	42	38
C=CCCNC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852487353	CD	On-Demand	Mild	MTNR1A	52	42
C=CCCNC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852487353	CD	On-Demand	Mild	MTNR1B	53	42
C=CCCNC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852487354	CD	On-Demand	Mild	DRD4	40	30
C=CCCNC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852487354	CD	On-Demand	Mild	ADRB3	42	38
C=CCCNC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852487354	CD	On-Demand	Mild	MTNR1A	52	42
C=CCCNC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852487354	CD	On-Demand	Mild	MTNR1B	53	42
CC(C)(C)OC(=O)CCC1CCN(Cc2ccnc(Cl)c2)CC1	ZINC000852487378	EI	On-Demand	Anodyne	ACHE	53	49
CC(C)(C)OC(=O)CCC1CCN(Cc2ccnc(Cl)c2)CC1	ZINC000852487378	EI	On-Demand	Anodyne	SSTR5	55	36
CC(C)(C)OC(=O)CCC1CCN(Cc2ccnc(Cl)c2)CC1	ZINC000852487378	EI	On-Demand	Anodyne	CACNA1I	61	38
C=CCCSCCNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852487391	FG	On-Demand	Mild	EPHX2	15	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2ccncc2C#N)C1	ZINC000852487393	GH	On-Demand	Mild	GPR119	49	52
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1nccc(N)n1	ZINC000852487396	GH	On-Demand	Anodyne	GPR119	28	41
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1nnnn1C	ZINC000852487416	GF	On-Demand	Anodyne	GPR119	26	41
C[C@@H](O)CCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487421	FH	On-Demand	Anodyne	SSTR2	45	37
C[C@@H](O)CCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487421	FH	On-Demand	Anodyne	GPR119	41	45
CCCn1ncnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487433	GH	On-Demand	Anodyne	GPR119	40	39
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1cnccn1	ZINC000852487443	GH	On-Demand	Anodyne	GPR119	40	45
C=CCCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852487452	DE	On-Demand	Mild	NPY2R	63	38
C=CCCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852487452	DE	On-Demand	Mild	SLC6A9	23	46
CNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487455	EE	On-Demand	Anodyne	GPR119	41	43
C=CCCNC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1	ZINC000852487468	EG	On-Demand	Mild	ADRB3	48	43
C=CCCNC(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1	ZINC000852487468	EG	On-Demand	Mild	PDS	57	37
C=CCCNC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1	ZINC000852487469	EG	On-Demand	Mild	ADRB3	48	43
C=CCCNC(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1	ZINC000852487469	EG	On-Demand	Mild	PDS	57	37
C=CCCNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852487470	CF	On-Demand	Mild	EPHX2	17	47
C=CCCNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852487470	CF	On-Demand	Mild	TRPM8	15	47
C=CCCNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852487472	CF	On-Demand	Mild	EPHX2	17	47
C=CCCNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852487472	CF	On-Demand	Mild	TRPM8	15	47
CC[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487473	EG	On-Demand	Anodyne	GPR119	40	48
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2cnsn2)C1	ZINC000852487481	FG	On-Demand	Anodyne	TACR1	23	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2cnsn2)C1	ZINC000852487481	FG	On-Demand	Anodyne	GPR119	41	39
CC(C)(C)OC(=O)CCC1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000852487483	EH	On-Demand	Anodyne	DRD4	20	53
CC(C)(C)OC(=O)CCC1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000852487483	EH	On-Demand	Anodyne	ACHE	38	46
CC(C)(C)OC(=O)CCC1CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000852487483	EH	On-Demand	Anodyne	GRIN2B	31	49
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@H]2CC[C@@H](C#N)C2)C1	ZINC000852487488	FI	On-Demand	Mild	GPR119	34	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@H]2CC[C@H](C#N)C2)C1	ZINC000852487490	FI	On-Demand	Mild	GPR119	34	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@@H]2CC[C@@H](C#N)C2)C1	ZINC000852487492	FI	On-Demand	Mild	GPR119	34	40
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1	ZINC000852487498	GF	On-Demand	Anodyne	ACHE	48	46
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1	ZINC000852487498	GF	On-Demand	Anodyne	LTA4H	30	40
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1	ZINC000852487498	GF	On-Demand	Anodyne	HRH3	20	46
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1	ZINC000852487498	GF	On-Demand	Anodyne	SIGMAR1	37	43
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1	ZINC000852487498	GF	On-Demand	Anodyne	CHEK2	24	42
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC(N)=O)cc2)CC1	ZINC000852487498	GF	On-Demand	Anodyne	CACNA1I	42	36
CC(C)(C)OC(=O)CCC1CCN(CCCN2CCOC2=O)CC1	ZINC000852487514	EF	On-Demand	Anodyne	HTR4	37	43
C=CCCNC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000852487517	EF	On-Demand	Mild	CTSK	15	40
C=CCCNC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000852487518	EF	On-Demand	Mild	CTSK	15	40
CC(=O)Oc1ccc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)cc1	ZINC000852487537	FH	On-Demand	Anodyne	DRD4	20	40
CC(=O)Oc1ccc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)cc1	ZINC000852487537	FH	On-Demand	Anodyne	ACHE	53	46
CC(=O)Oc1ccc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)cc1	ZINC000852487537	FH	On-Demand	Anodyne	SIGMAR1	41	42
CC(=O)Oc1ccc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)cc1	ZINC000852487537	FH	On-Demand	Anodyne	CCR3	19	40
CC(=O)Oc1ccc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)cc1	ZINC000852487537	FH	On-Demand	Anodyne	MCHR1	26	42
CC(=O)Oc1ccc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)cc1	ZINC000852487537	FH	On-Demand	Anodyne	CACNA1I	51	38
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC#N)cc2)CC1	ZINC000852487545	FH	On-Demand	Mild	ACHE	45	43
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC#N)cc2)CC1	ZINC000852487545	FH	On-Demand	Mild	HRH3	18	43
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(OCC#N)cc2)CC1	ZINC000852487545	FH	On-Demand	Mild	SIGMAR1	35	45
C=CCCNC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852487579	DF	On-Demand	Mild	CACNA1I	40	31
C=CCCNC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852487580	DF	On-Demand	Mild	CACNA1I	40	31
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	F2	28	40
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	PRSS1	17	40
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	GRIN2B	21	41
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	CTSB	17	40
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	CTSK	23	40
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	CTSL	27	40
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	PREP	34	45
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	TGM2	48	49
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	TPSAB1	17	43
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	NPR	42	32
C=CCCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487591	EF	On-Demand	Mild	F13A1	31	49
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	F2	28	40
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	PRSS1	17	40
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	GRIN2B	21	41
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	CTSB	17	40
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	CTSK	23	40
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	CTSL	27	40
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	PREP	34	45
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	TGM2	48	49
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	TPSAB1	17	43
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	NPR	42	32
C=CCCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852487595	EF	On-Demand	Mild	F13A1	31	49
CC(C)(C)OC(=O)CCC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1	ZINC000852487617	GG	On-Demand	Anodyne	ACHE	48	45
CC(C)(C)OC(=O)CCC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1	ZINC000852487617	GG	On-Demand	Anodyne	HRH1	15	40
CC(C)(C)OC(=O)CCC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1	ZINC000852487617	GG	On-Demand	Anodyne	SLC6A3	17	40
CC(C)(C)OC(=O)CCC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1	ZINC000852487617	GG	On-Demand	Anodyne	HTR4	47	41
CC(C)(C)OC(=O)CCC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1	ZINC000852487617	GG	On-Demand	Anodyne	GRIN2B	46	36
CC(C)(C)OC(=O)CCC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1	ZINC000852487617	GG	On-Demand	Anodyne	SIGMAR1	40	40
CC(C)(C)OC(=O)CCC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1	ZINC000852487617	GG	On-Demand	Anodyne	CCR5	41	42
CC(C)(C)OC(=O)CCC1CCN(CCS(=O)(=O)Cc2ccccc2)CC1	ZINC000852487617	GG	On-Demand	Anodyne	CYP2J2	50	36
C=CCCNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852487624	DD	On-Demand	Mild	EPHX2	18	44
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1	ZINC000852487626	FH	On-Demand	Anodyne	CCR5	32	40
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2cccc(F)c2)CC1	ZINC000852487626	FH	On-Demand	Anodyne	CACNA1I	44	30
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2cccc(F)c2)CC1	ZINC000852487627	FH	On-Demand	Anodyne	CCR5	32	40
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2cccc(F)c2)CC1	ZINC000852487627	FH	On-Demand	Anodyne	CACNA1I	44	30
C=CCCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852487633	DI	On-Demand	Mild	RBP4	87	42
C=CCCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852487633	DI	On-Demand	Mild	SFRP1	45	34
C=CCCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852487633	DI	On-Demand	Mild	WNT3	51	34
C=CCCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852487635	DI	On-Demand	Mild	RBP4	87	42
C=CCCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852487635	DI	On-Demand	Mild	SFRP1	45	34
C=CCCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852487635	DI	On-Demand	Mild	WNT3	51	34
CC(C)(C)OC(=O)CCC1CCN(CC(=O)Nc2ccc(O)cc2)CC1	ZINC000852487640	FG	On-Demand	Anodyne	CACNA1I	47	37
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	GRIN2B	52	48
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	CTSB	27	40
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	CTSK	26	40
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	CTSL	31	40
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	PREP	23	44
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	CAPNS1	43	32
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	CAPN1	45	39
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	CAPN2	75	39
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	TGM2	51	54
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	TPSAB1	15	50
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	NPR	55	34
C=CCCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852487646	EF	On-Demand	Mild	F13A1	39	54
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1	ZINC000852487663	FH	On-Demand	Anodyne	CACNA1I	50	37
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1	ZINC000852487665	FH	On-Demand	Anodyne	CACNA1I	50	37
CC(C)(C)OC(=O)CCC1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1	ZINC000852487668	FH	On-Demand	Anodyne	CACNA1I	50	37
CC(C)(C)OC(=O)CCC1CCN(C[C@H](O)c2cc(F)ccc2F)CC1	ZINC000852487669	FH	On-Demand	Anodyne	CACNA1I	50	37
C=CCCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852487681	DH	On-Demand	Mild	CCR2	89	43
C=CCCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852487682	DH	On-Demand	Mild	CCR2	89	43
CC(C)(C)OC(=O)CCC1CCN(CC(=O)Nc2cccnc2Cl)CC1	ZINC000852487687	GH	On-Demand	Anodyne	CACNA1I	41	37
CC(C)(C)OC(=O)CCC1CCN(CC(=O)Nc2cccnc2Cl)CC1	ZINC000852487687	GH	On-Demand	Anodyne	G2YM83_BOTF4	59	35
C=CCCNC(=O)NNC(=O)c1ccc(OCCCC)c(OC)c1	ZINC000852487695	EE	On-Demand	Reactive	PLA2G4B	26	43
C=CCCNC(=O)NNC(=O)c1ccc(OCCCC)c(OC)c1	ZINC000852487695	EE	On-Demand	Reactive	REN	20	41
CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(CC(=O)Nc1cccnc1Cl)C2	ZINC000852487740	GD	On-Demand	Anodyne	G2YM83_BOTF4	64	32
CC(C)(C)OC(=O)CCC1CCN(CCNC(=O)OC(C)(C)C)CC1	ZINC000852487741	FG	On-Demand	Anodyne	CACNA1H	16	40
CC(C)(C)OC(=O)CCC1CCN(CCNC(=O)OC(C)(C)C)CC1	ZINC000852487741	FG	On-Demand	Anodyne	HTR4	28	42
CC(C)(C)OC(=O)CCC1CCN(CCNC(=O)OC(C)(C)C)CC1	ZINC000852487741	FG	On-Demand	Anodyne	CACNA1I	47	38
C=CCCNC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1	ZINC000852487742	FD	On-Demand	Mild	EPHX2	26	44
C=CCCNC(=O)N[C@H](C)COc1ccccc1	ZINC000852487745	BE	On-Demand	Mild	PDS	58	39
C=CCCNC(=O)N[C@@H](C)COc1ccccc1	ZINC000852487746	BE	On-Demand	Mild	PDS	58	39
C=CCCNC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852487747	CD	On-Demand	Mild	EPHX2	27	45
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1	ZINC000852487751	FH	On-Demand	Anodyne	SSTR5	25	40
CC(C)(C)OC(=O)CCC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1	ZINC000852487751	FH	On-Demand	Anodyne	NOS2	41	33
C=CCCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852487760	CG	On-Demand	Mild	HTR1D	36	49
C=CCCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852487760	CG	On-Demand	Mild	HTR1B	31	41
C=CCCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852487760	CG	On-Demand	Mild	MPO	80	40
C=CCCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852487760	CG	On-Demand	Mild	MTNR1A	15	56
C=CCCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852487760	CG	On-Demand	Mild	MAPT	18	52
C=CCCNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852487764	FD	On-Demand	Mild	GPR119	34	40
C=CCCNC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852487765	FD	On-Demand	Mild	GPR119	34	40
CC(C)(C)OC(=O)CCC1CCN(CCCCC2(C)OCCO2)CC1	ZINC000852487766	FH	On-Demand	Anodyne	HTR4	15	41
CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1cc(=O)oc3cc(O)ccc13)C2	ZINC000852487775	GE	On-Demand	Anodyne	HSD17B3	26	42
C=CCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000852487780	DF	On-Demand	Mild	TGM2	19	42
C=CCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000852487780	DF	On-Demand	Mild	MCHR1	17	45
C=CCCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	ZINC000852487810	ED	On-Demand	Mild	KCNA3	17	41
CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2	ZINC000852487812	GD	On-Demand	Bother	CACNA1D	52	33
CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2	ZINC000852487813	GD	On-Demand	Bother	CACNA1D	52	33
C=CCCSCCNC(=O)NCCc1c[nH]c2cccc(OC)c12	ZINC000852487817	EG	On-Demand	Mild	NQO2	22	45
C=CCCSCCNC(=O)NCCc1c[nH]c2cccc(OC)c12	ZINC000852487817	EG	On-Demand	Mild	MTNR1A	16	41
C#CCNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487822	GF	On-Demand	Mild	GPR119	33	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2cnn[nH]2)C1	ZINC000852487827	FF	On-Demand	Anodyne	GPR119	40	41
C=CCCNC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852487828	FF	On-Demand	Mild	FAAH	20	44
C=CCCNC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852487828	FF	On-Demand	Mild	EPHX2	41	37
C=CCCNC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000852487828	FF	On-Demand	Mild	NOD2	17	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@@H]2CCNC2=O)C1	ZINC000852487830	FE	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@H]2CCNC2=O)C1	ZINC000852487831	FE	On-Demand	Anodyne	GPR119	31	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2cnns2)C1	ZINC000852487834	FG	On-Demand	Anodyne	GPR119	41	40
Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)n[nH]1	ZINC000852487836	GH	On-Demand	Anodyne	GPR119	23	40
Cc1cnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)nc1	ZINC000852487837	GH	On-Demand	Anodyne	GPR119	49	44
C=CCCSCCNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852487844	EG	On-Demand	Mild	KCNA3	22	42
CC(C)n1ncnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487846	GH	On-Demand	Anodyne	GPR119	41	44
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2cnon2)C1	ZINC000852487847	FF	On-Demand	Anodyne	GPR119	40	39
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1nncn1C	ZINC000852487861	GG	On-Demand	Anodyne	GPR119	27	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2ncccn2)C1	ZINC000852487873	FG	On-Demand	Anodyne	EPHX2	24	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2ncccn2)C1	ZINC000852487873	FG	On-Demand	Anodyne	GPR119	51	48
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H](O)C2CC2)C1	ZINC000852487885	FG	On-Demand	Anodyne	GPR119	37	46
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H](O)C2CC2)C1	ZINC000852487886	FG	On-Demand	Anodyne	GPR119	37	46
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2cnc[nH]2)C1	ZINC000852487902	FG	On-Demand	Anodyne	GPR119	42	40
C=CCCSCCNC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852487915	FF	On-Demand	Mild	ADRA1A	20	40
C=CCCSCCNC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852487916	FF	On-Demand	Mild	ADRA1A	20	40
CCN(C)C[C@@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487919	GF	On-Demand	Anodyne	GPR119	29	42
Cc1oncc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487922	FH	On-Demand	Anodyne	TACR1	23	40
Cc1oncc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487922	FH	On-Demand	Anodyne	GPR119	44	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H]2CNC(=O)C2)C1	ZINC000852487939	FF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H]2CNC(=O)C2)C1	ZINC000852487940	FF	On-Demand	Anodyne	GPR119	30	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2nccc(N)n2)C1	ZINC000852487960	GF	On-Demand	Anodyne	GPR119	39	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2cccnc2N)C1	ZINC000852487965	GH	On-Demand	Anodyne	GPR119	46	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2cccnc2N)C1	ZINC000852487965	GH	On-Demand	Anodyne	KDM1A	15	41
CCn1c(C)nnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487974	GG	On-Demand	Anodyne	GPR119	31	40
CC(=O)[C@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487987	GF	On-Demand	Anodyne	GPR119	38	43
CC(=O)[C@@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852487988	GF	On-Demand	Anodyne	GPR119	38	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCCc2cnn[nH]2)C1	ZINC000852487989	FF	On-Demand	Anodyne	GPR119	31	41
C[C@@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)S(C)(=O)=O	ZINC000852488023	GF	On-Demand	Anodyne	CCR8	37	42
C[C@@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)S(C)(=O)=O	ZINC000852488023	GF	On-Demand	Anodyne	GPR119	51	45
C[C@@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)S(C)(=O)=O	ZINC000852488023	GF	On-Demand	Anodyne	SFRP1	98	42
C[C@@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)S(C)(=O)=O	ZINC000852488023	GF	On-Demand	Anodyne	WNT3	66	37
Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)no1	ZINC000852488026	GH	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC2OCCO2)C1	ZINC000852488033	FF	On-Demand	Anodyne	GPR119	36	42
C=CCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000852488034	DE	On-Demand	Reactive	EPHX2	22	45
C=CCCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000852488034	DE	On-Demand	Reactive	BOTA	19	48
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)N2CCCC2)C1	ZINC000852488047	GF	On-Demand	Anodyne	EPHX2	21	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)N2CCCC2)C1	ZINC000852488047	GF	On-Demand	Anodyne	GPR119	43	44
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)N2CCCC2)C1	ZINC000852488047	GF	On-Demand	Anodyne	SFRP1	57	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)N2CCCC2)C1	ZINC000852488047	GF	On-Demand	Anodyne	WNT3	53	37
C=CCCNC(=O)NC1CCN(C(=O)OCC)CC1	ZINC000852488058	CD	On-Demand	Mild	EPHX2	29	48
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2ncc(C3CC3)o2)C1	ZINC000852488062	GI	On-Demand	Anodyne	GPR119	46	39
COC(=O)[C@@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488064	GE	On-Demand	Anodyne	SLC6A3	16	40
COC(=O)[C@@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488064	GE	On-Demand	Anodyne	GPR119	36	42
C=CCCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000852488154	CE	On-Demand	Reactive	EPHX2	23	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2ccnc(C#N)c2)C1	ZINC000852488181	GH	On-Demand	Mild	GPR119	42	44
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)c1csnn1	ZINC000852488184	GH	On-Demand	Anodyne	GPR119	26	41
CON(C)C(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488189	GF	On-Demand	Anodyne	GPR119	31	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H](O)c2cccnc2)C1	ZINC000852488191	GG	On-Demand	Anodyne	ADRB1	19	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H](O)c2cccnc2)C1	ZINC000852488191	GG	On-Demand	Anodyne	ADRB3	57	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H](O)c2cccnc2)C1	ZINC000852488191	GG	On-Demand	Anodyne	PTAFR	22	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H](O)c2cccnc2)C1	ZINC000852488191	GG	On-Demand	Anodyne	EPHX2	15	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H](O)c2cccnc2)C1	ZINC000852488192	GG	On-Demand	Anodyne	ADRB1	19	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H](O)c2cccnc2)C1	ZINC000852488192	GG	On-Demand	Anodyne	ADRB3	57	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H](O)c2cccnc2)C1	ZINC000852488192	GG	On-Demand	Anodyne	PTAFR	22	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H](O)c2cccnc2)C1	ZINC000852488192	GG	On-Demand	Anodyne	EPHX2	15	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2ccno2)C1	ZINC000852488200	FH	On-Demand	Anodyne	GPR119	38	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H]2CNC(=O)O2)C1	ZINC000852488201	GE	On-Demand	Anodyne	GPR119	24	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H]2CNC(=O)O2)C1	ZINC000852488202	GE	On-Demand	Anodyne	GPR119	24	40
C=CCCNC(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852488212	FE	On-Demand	Mild	STAT6	46	30
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC2(C#N)CC2)C1	ZINC000852488215	FH	On-Demand	Mild	GPR119	33	40
C=CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852488227	DE	On-Demand	Mild	SSTR1	42	46
C[C@H](CO)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488237	EF	On-Demand	Anodyne	GPR119	37	46
C[C@@H](CO)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488238	EF	On-Demand	Anodyne	GPR119	37	46
CN1CCC[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1=O	ZINC000852488239	GF	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCCC2OCCO2)C1	ZINC000852488241	GG	On-Demand	Anodyne	GPR119	33	41
O=C(NCC(F)(F)c1cccc(F)c1)N1CCc2cc(Cl)nnc2C1	ZINC000852488269	FG	On-Demand	Anodyne	MAPK1	41	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@H]2CNC(=O)C2)C1	ZINC000852488274	GF	On-Demand	Anodyne	GPR119	29	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@@H]2CNC(=O)C2)C1	ZINC000852488275	GF	On-Demand	Anodyne	GPR119	29	44
O=C(NC[C@H](O)COc1cccc(F)c1)NCC(F)(F)c1cccc(F)c1	ZINC000852488280	GF	On-Demand	Anodyne	PDS	72	43
O=C(NC[C@@H](O)COc1cccc(F)c1)NCC(F)(F)c1cccc(F)c1	ZINC000852488281	GF	On-Demand	Anodyne	PDS	72	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ncccn2)C1	ZINC000852488282	GG	On-Demand	Anodyne	GRIN2B	15	41
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ncccn2)C1	ZINC000852488282	GG	On-Demand	Anodyne	CCR5	82	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ncccn2)C1	ZINC000852488282	GG	On-Demand	Anodyne	GPR119	49	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)N2CCC2)C1	ZINC000852488283	FF	On-Demand	Anodyne	EPHX2	22	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)N2CCC2)C1	ZINC000852488283	FF	On-Demand	Anodyne	GPR119	44	44
O=C(NCC(F)(F)c1cccc(F)c1)N1CCC(F)(F)CC1	ZINC000852488290	DG	On-Demand	Anodyne	CACNA1H	42	33
O=C(NCC(F)(F)c1cccc(F)c1)N1CCC(F)(F)CC1	ZINC000852488290	DG	On-Demand	Anodyne	CACNA1G	31	40
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@@H]2CNC(=O)O2)C1	ZINC000852488294	GF	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@H]2CNC(=O)O2)C1	ZINC000852488295	GF	On-Demand	Anodyne	GPR119	24	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnns2)C1	ZINC000852488299	GH	On-Demand	Anodyne	CCR5	80	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnns2)C1	ZINC000852488299	GH	On-Demand	Anodyne	GPR119	39	45
C=CCCSCCNC(=O)N[C@@H](C)COc1ccccc1	ZINC000852488300	DG	On-Demand	Mild	PDS	57	37
C=CCCSCCNC(=O)N[C@H](C)COc1ccccc1	ZINC000852488301	DG	On-Demand	Mild	PDS	57	37
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCO)C1	ZINC000852488302	FF	On-Demand	Anodyne	CCR5	55	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCO)C1	ZINC000852488302	FF	On-Demand	Anodyne	GPR119	36	48
C=CCCSCCNC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852488309	DE	On-Demand	Mild	MTNR1A	32	42
C=CCCSCCNC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852488309	DE	On-Demand	Mild	MTNR1B	31	42
C=CCCSCCNC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852488310	DE	On-Demand	Mild	MTNR1A	32	42
C=CCCSCCNC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852488310	DE	On-Demand	Mild	MTNR1B	31	42
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC2(C#N)CC2)C1	ZINC000852488318	FH	On-Demand	Mild	CCR5	57	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC2(C#N)CC2)C1	ZINC000852488318	FH	On-Demand	Mild	GPR119	30	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)NC(N)=O)C1	ZINC000852488319	GD	On-Demand	Anodyne	GPR119	38	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)NC(N)=O)C1	ZINC000852488319	GD	On-Demand	Anodyne	SFRP1	41	39
Cn1ncnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488323	FF	On-Demand	Anodyne	GPR119	45	40
COc1ccc(CN(C)C(=O)NCC(F)(F)c2cccc(F)c2)cc1F	ZINC000852488335	FH	On-Demand	Anodyne	MT-ND1	17	41
CNC(=O)CCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488336	GG	On-Demand	Anodyne	CCR5	68	33
CNC(=O)CCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488336	GG	On-Demand	Anodyne	GPR119	29	46
Cc1cnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1	ZINC000852488349	FH	On-Demand	Anodyne	GPR119	46	40
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCC2OCCO2)C1	ZINC000852488350	GG	On-Demand	Anodyne	CCR5	71	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCC2OCCO2)C1	ZINC000852488350	GG	On-Demand	Anodyne	GPR119	31	46
O=C(NCC(F)(F)c1cccc(F)c1)N1CCCN(c2ncccc2F)CC1	ZINC000852488353	GG	On-Demand	Anodyne	TRPV1	15	41
C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488355	GG	On-Demand	Mild	GPR119	28	46
C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488356	GG	On-Demand	Mild	GPR119	28	46
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCCC#N)C1	ZINC000852488357	GI	On-Demand	Mild	CCR5	55	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCCC#N)C1	ZINC000852488357	GI	On-Demand	Mild	GPR119	29	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC[C@@H]2CCOC2=O)C1	ZINC000852488364	GG	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC[C@H]2CCOC2=O)C1	ZINC000852488365	GG	On-Demand	Anodyne	GPR119	26	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCCCS(N)(=O)=O)C1	ZINC000852488372	GE	On-Demand	Anodyne	GPR119	45	42
Cc1nonc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488375	GG	On-Demand	Anodyne	CCR5	52	32
Cc1nonc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488375	GG	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCc2cn[nH]c2)C1	ZINC000852488377	GG	On-Demand	Anodyne	CCR5	70	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCc2cn[nH]c2)C1	ZINC000852488377	GG	On-Demand	Anodyne	GPR119	37	45
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCCCO)C1	ZINC000852488381	GH	On-Demand	Anodyne	CCR5	42	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCCCO)C1	ZINC000852488381	GH	On-Demand	Anodyne	GPR119	34	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(N)=O)C1	ZINC000852488382	ED	On-Demand	Anodyne	GPR119	40	43
O=C(NCC(F)(F)c1cccc(F)c1)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852488386	GG	On-Demand	Anodyne	ERG2	18	40
O=C(NCC(F)(F)c1cccc(F)c1)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852488387	GG	On-Demand	Anodyne	ERG2	18	40
CCOC[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488393	GF	On-Demand	Anodyne	CCR5	75	34
CCOC[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488393	GF	On-Demand	Anodyne	GPR119	28	49
C#CCNC(=O)C1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852488395	FE	On-Demand	Mild	CACNA1G	41	49
Cc1oncc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488405	GI	On-Demand	Anodyne	CCR5	51	33
Cc1oncc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488405	GI	On-Demand	Anodyne	GPR119	39	48
Cn1cnnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488417	GF	On-Demand	Anodyne	CCR5	73	33
Cn1cnnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488417	GF	On-Demand	Anodyne	GPR119	39	46
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852488418	FF	On-Demand	Anodyne	EPHX2	41	45
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852488418	FF	On-Demand	Anodyne	CCR8	19	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852488418	FF	On-Demand	Anodyne	GPR119	42	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852488418	FF	On-Demand	Anodyne	SFRP1	40	40
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@@H]2CCC(=O)N2)C1	ZINC000852488420	GF	On-Demand	Anodyne	GPR119	30	45
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCOCCO)C1	ZINC000852488433	GF	On-Demand	Anodyne	GPR119	29	46
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@@H](O)C2CC2)C1	ZINC000852488434	GG	On-Demand	Anodyne	CCR5	84	36
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@@H](O)C2CC2)C1	ZINC000852488434	GG	On-Demand	Anodyne	GPR119	36	51
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@H](O)C2CC2)C1	ZINC000852488435	GG	On-Demand	Anodyne	CCR5	84	36
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@H](O)C2CC2)C1	ZINC000852488435	GG	On-Demand	Anodyne	GPR119	36	51
CCOC(=O)N(C)C1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852488436	GG	On-Demand	Anodyne	TACR1	30	40
CCOC(=O)N(C)C1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852488436	GG	On-Demand	Anodyne	CACNA1G	33	40
CNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488437	GF	On-Demand	Anodyne	CCR5	72	33
CNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488437	GF	On-Demand	Anodyne	GPR119	33	47
CONC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852488440	BD	On-Demand	Anodyne	PDS	46	36
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2nc(N)nc(N)n2)C1	ZINC000852488446	GD	On-Demand	Anodyne	GPR119	40	40
C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488447	GF	On-Demand	Mild	GPR119	35	49
C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488448	GF	On-Demand	Mild	GPR119	35	49
CN(C)C(=O)OC1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852488450	FF	On-Demand	Anodyne	CACNA1G	31	41
CN(C)C(=O)OC1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852488450	FF	On-Demand	Anodyne	LIPG	40	35
COC[C@@H](O)CNC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852488452	DD	On-Demand	Anodyne	PDS	41	33
CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(N)=O	ZINC000852488456	FF	On-Demand	Anodyne	P2RY12	49	32
CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(N)=O	ZINC000852488456	FF	On-Demand	Anodyne	GPR119	36	46
CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(N)=O	ZINC000852488457	FF	On-Demand	Anodyne	P2RY12	49	32
CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(N)=O	ZINC000852488457	FF	On-Demand	Anodyne	GPR119	36	46
C#CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488464	GE	On-Demand	Mild	GPR119	32	48
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCOCCC#N)C1	ZINC000852488473	GG	On-Demand	Mild	GPR119	26	44
Cc1cc([C@@H]2CCCN2C(=O)NCC(F)(F)c2cccc(F)c2)no1	ZINC000852488474	FH	On-Demand	Anodyne	CPT1A	50	39
C=CCCSCCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852488477	GG	On-Demand	Mild	SLC6A9	15	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCO)C1	ZINC000852488478	EF	On-Demand	Anodyne	CCR5	65	35
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCO)C1	ZINC000852488478	EF	On-Demand	Anodyne	GPR119	39	49
O=C(NCc1ccc(-c2cccs2)cc1)N1CC[C@H](N2CCOC2=O)C1	ZINC000852488481	FG	On-Demand	Anodyne	NPSR1	26	40
O=C(NCc1ccc(-c2cccs2)cc1)N1CC[C@@H](N2CCOC2=O)C1	ZINC000852488482	FG	On-Demand	Anodyne	NPSR1	26	40
CNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488487	FE	On-Demand	Anodyne	CCR5	77	34
CNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488487	FE	On-Demand	Anodyne	GPR119	40	49
Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488488	GF	On-Demand	Anodyne	CCR5	52	33
Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488488	GF	On-Demand	Anodyne	BIRC2	24	40
Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488489	GF	On-Demand	Anodyne	CCR5	52	33
Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488489	GF	On-Demand	Anodyne	BIRC2	24	40
Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488490	GF	On-Demand	Anodyne	CCR5	52	33
Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488490	GF	On-Demand	Anodyne	BIRC2	24	40
Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488491	GF	On-Demand	Anodyne	CCR5	52	33
Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488491	GF	On-Demand	Anodyne	BIRC2	24	40
COc1cc(C)nc(NNC(=O)NCC(F)(F)c2cccc(F)c2)n1	ZINC000852488500	FE	On-Demand	Reactive	ALS	50	32
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NCC#N)C1	ZINC000852488501	GE	On-Demand	Mild	PAPA1_CARPA	20	40
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NCC#N)C1	ZINC000852488501	GE	On-Demand	Mild	CCR5	40	32
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NCC#N)C1	ZINC000852488501	GE	On-Demand	Mild	GPR119	31	47
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnsn2)C1	ZINC000852488502	GH	On-Demand	Anodyne	CCR5	83	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnsn2)C1	ZINC000852488502	GH	On-Demand	Anodyne	GPR119	40	46
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC#N)C1	ZINC000852488503	EG	On-Demand	Mild	CCR5	64	35
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC#N)C1	ZINC000852488503	EG	On-Demand	Mild	GPR119	39	49
C=CCCSCCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852488506	EF	On-Demand	Mild	ADRB1	28	43
C=CCCSCCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852488506	EF	On-Demand	Mild	ADRB3	42	43
C=CCCSCCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852488507	EF	On-Demand	Mild	ADRB1	28	43
C=CCCSCCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852488507	EF	On-Demand	Mild	ADRB3	42	43
C[C@H](CO)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488508	FG	On-Demand	Anodyne	CCR5	85	38
C[C@H](CO)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488508	FG	On-Demand	Anodyne	GPR119	36	51
C[C@@H](CO)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488509	FG	On-Demand	Anodyne	CCR5	85	38
C[C@@H](CO)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488509	FG	On-Demand	Anodyne	GPR119	36	51
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2csnn2)C1	ZINC000852488526	GH	On-Demand	Anodyne	CCR5	84	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2csnn2)C1	ZINC000852488526	GH	On-Demand	Anodyne	GPR119	32	44
COc1ccc([C@@H](O)CNC(=O)NCC(F)(F)c2cccc(F)c2)cc1	ZINC000852488527	FF	On-Demand	Anodyne	MTNR1A	19	41
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852488529	GD	On-Demand	Reactive	PAPA1_CARPA	15	40
CCNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488537	GF	On-Demand	Anodyne	GPR119	36	45
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852488542	GF	On-Demand	Anodyne	CCR5	58	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852488542	GF	On-Demand	Anodyne	CCR2	43	39
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852488542	GF	On-Demand	Anodyne	EPHX2	26	41
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852488542	GF	On-Demand	Anodyne	GPR119	40	48
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCCC(=O)NC(N)=O)C1	ZINC000852488544	GD	On-Demand	Anodyne	GPR119	31	42
CCOC[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488562	GF	On-Demand	Anodyne	GPR119	30	44
Cn1nnnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488564	GE	On-Demand	Anodyne	CCR5	45	33
Cn1nnnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488564	GE	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@@H]2COCCO2)C1	ZINC000852488570	GF	On-Demand	Anodyne	GPR119	25	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@H]2COCCO2)C1	ZINC000852488571	GF	On-Demand	Anodyne	GPR119	25	44
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488572	FE	On-Demand	Anodyne	LIPG	46	34
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)NCC#N)C1	ZINC000852488584	FE	On-Demand	Mild	GPR119	37	42
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(N)=O	ZINC000852488586	FE	On-Demand	Anodyne	CCR5	87	37
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(N)=O	ZINC000852488586	FE	On-Demand	Anodyne	GPR119	34	51
CN1CC[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)C1=O	ZINC000852488588	GF	On-Demand	Anodyne	CCR5	82	34
CN1CC[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)C1=O	ZINC000852488588	GF	On-Demand	Anodyne	GPR119	28	47
C=CCCSCCNC(=O)NC1CCN(C(=O)OCC)CC1	ZINC000852488592	EE	On-Demand	Mild	EPHX2	19	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NC(N)=O)C1	ZINC000852488598	GD	On-Demand	Anodyne	CCR5	48	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)NC(N)=O)C1	ZINC000852488598	GD	On-Demand	Anodyne	GPR119	34	49
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC2OCCO2)C1	ZINC000852488603	GF	On-Demand	Anodyne	CCR5	76	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC2OCCO2)C1	ZINC000852488603	GF	On-Demand	Anodyne	GPR119	33	47
O=C(NCC(F)(F)c1cccc(F)c1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852488604	GG	On-Demand	Anodyne	CCR2	26	48
COC[C@@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)OC	ZINC000852488607	GG	On-Demand	Anodyne	CCR5	64	36
COC[C@@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)OC	ZINC000852488607	GG	On-Demand	Anodyne	GPR119	28	47
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ccno2)C1	ZINC000852488612	GH	On-Demand	Anodyne	CCR5	60	32
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ccno2)C1	ZINC000852488612	GH	On-Demand	Anodyne	GPR119	36	45
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCC#N)cc1	ZINC000852488614	FH	On-Demand	Mild	GPR119	37	40
CCc1nnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)n1C	ZINC000852488618	GG	On-Demand	Anodyne	GPR119	35	41
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCF)C1	ZINC000852488630	EG	On-Demand	Anodyne	CCR5	65	35
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCF)C1	ZINC000852488630	EG	On-Demand	Anodyne	GPR119	39	49
CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(N)=O	ZINC000852488634	GF	On-Demand	Anodyne	CCR5	90	36
CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(N)=O	ZINC000852488634	GF	On-Demand	Anodyne	GPR119	34	51
CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(N)=O	ZINC000852488635	GF	On-Demand	Anodyne	CCR5	90	36
CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(N)=O	ZINC000852488635	GF	On-Demand	Anodyne	GPR119	34	51
CCN(C)C(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488636	GF	On-Demand	Anodyne	CCR5	79	37
CCN(C)C(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488636	GF	On-Demand	Anodyne	GPR119	29	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@H](C#N)CCC#N)C1	ZINC000852488637	GH	On-Demand	Mild	GPR119	30	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC[C@@H](C#N)CCC#N)C1	ZINC000852488638	GH	On-Demand	Mild	GPR119	30	41
COC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488640	FF	On-Demand	Anodyne	SLC6A3	15	41
COC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488640	FF	On-Demand	Anodyne	GPR119	36	45
C=CCCSCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852488645	FF	On-Demand	Mild	SSTR1	40	42
CC(C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488648	FG	On-Demand	Anodyne	CCR5	68	35
CC(C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488648	FG	On-Demand	Anodyne	GPR119	39	49
CCNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488650	GG	On-Demand	Anodyne	CCR5	63	33
CCNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488650	GG	On-Demand	Anodyne	GPR119	34	50
C[C@H](C#N)OCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488654	GG	On-Demand	Mild	CCR5	80	36
C[C@H](C#N)OCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488654	GG	On-Demand	Mild	GPR119	33	47
C[C@@H](C#N)OCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488655	GG	On-Demand	Mild	CCR5	80	36
C[C@@H](C#N)OCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488655	GG	On-Demand	Mild	GPR119	33	47
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCC#N)C1	ZINC000852488658	EG	On-Demand	Mild	CCR5	71	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCC#N)C1	ZINC000852488658	EG	On-Demand	Mild	GPR119	33	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCCC#N)C1	ZINC000852488662	EG	On-Demand	Mild	GPR119	36	41
Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)no1	ZINC000852488663	GI	On-Demand	Anodyne	CCR5	76	34
Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)no1	ZINC000852488663	GI	On-Demand	Anodyne	GPR119	35	45
C[S@@](=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488669	GF	On-Demand	Anodyne	CCR5	72	34
C[S@@](=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488669	GF	On-Demand	Anodyne	GPR119	31	49
C[S@](=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488670	GF	On-Demand	Anodyne	CCR5	72	34
C[S@](=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488670	GF	On-Demand	Anodyne	GPR119	31	49
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@H](C)C(N)=O)cc1	ZINC000852488671	GF	On-Demand	Anodyne	MMP13	16	47
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@H](C)C(N)=O)cc1	ZINC000852488671	GF	On-Demand	Anodyne	GPR119	45	42
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H](C)C(N)=O)cc1	ZINC000852488672	GF	On-Demand	Anodyne	MMP13	16	47
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H](C)C(N)=O)cc1	ZINC000852488672	GF	On-Demand	Anodyne	GPR119	45	42
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC(N)=O)cc1	ZINC000852488675	GE	On-Demand	Anodyne	GPR119	44	38
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2noc(C3CC3)n2)C1	ZINC000852488676	GH	On-Demand	Anodyne	EPHX2	15	46
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCc2noc(C3CC3)n2)C1	ZINC000852488676	GH	On-Demand	Anodyne	ETHR	53	37
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC#N)C1	ZINC000852488677	DF	On-Demand	Mild	GPR119	43	43
COCCCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488680	GH	On-Demand	Anodyne	GPR119	30	48
CC(=O)NCCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488689	GG	On-Demand	Anodyne	GPR119	30	48
CN1CC[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1=O	ZINC000852488690	FF	On-Demand	Anodyne	GPR119	33	41
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@@H]2CCOC2=O)C1	ZINC000852488714	GF	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@@H]2CCOC2=O)C1	ZINC000852488714	GF	On-Demand	Anodyne	LUXR	59	35
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@@H]2CCOC2=O)C1	ZINC000852488714	GF	On-Demand	Anodyne	TRAR	66	32
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@H]2CCOC2=O)C1	ZINC000852488715	GF	On-Demand	Anodyne	GPR119	27	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@H]2CCOC2=O)C1	ZINC000852488715	GF	On-Demand	Anodyne	LUXR	59	35
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@H]2CCOC2=O)C1	ZINC000852488715	GF	On-Demand	Anodyne	TRAR	66	32
C#CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852488716	FE	On-Demand	Mild	GPR119	36	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2nc(O)n[nH]2)C1	ZINC000852488719	GF	On-Demand	Anodyne	CCR5	45	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2nc(O)n[nH]2)C1	ZINC000852488719	GF	On-Demand	Anodyne	GPR119	32	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCC#N)C1	ZINC000852488720	FH	On-Demand	Mild	CCR5	64	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCC#N)C1	ZINC000852488720	FH	On-Demand	Mild	GPR119	31	47
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(N)=O)C1	ZINC000852488722	FD	On-Demand	Anodyne	CCR5	61	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(N)=O)C1	ZINC000852488722	FD	On-Demand	Anodyne	GPR119	40	49
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCn2cncn2)C1	ZINC000852488723	GF	On-Demand	Anodyne	CCR5	58	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCn2cncn2)C1	ZINC000852488723	GF	On-Demand	Anodyne	GPR119	34	43
CC(=O)[C@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488729	GF	On-Demand	Anodyne	CCR5	58	34
CC(=O)[C@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488729	GF	On-Demand	Anodyne	GPR119	35	48
CC(=O)[C@@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488730	GF	On-Demand	Anodyne	CCR5	58	34
CC(=O)[C@@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852488730	GF	On-Demand	Anodyne	GPR119	35	48
Cc1nnc([C@@H](C)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1	ZINC000852488733	GH	On-Demand	Anodyne	GPR119	30	41
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC(=O)NC)cc1	ZINC000852488737	GF	On-Demand	Anodyne	GPR119	45	38
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)NCCC#N)C1	ZINC000852488742	GE	On-Demand	Mild	GPR119	32	41
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@@H]2CCNC2=O)C1	ZINC000852488753	GE	On-Demand	Anodyne	GPR119	28	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@H]2CCNC2=O)C1	ZINC000852488754	GE	On-Demand	Anodyne	GPR119	28	44
Cc1oncc1CN1CCN(c2ccc(Br)cc2)CC1	ZINC000852488757	EG	On-Demand	Anodyne	DRD4	31	45
C#CC[C@@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488758	DG	On-Demand	Mild	CACNA1G	32	41
C#CC[C@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852488760	DG	On-Demand	Mild	CACNA1G	32	41
Brc1ccc(N2CCN(Cc3cnon3)CC2)cc1	ZINC000852488773	DE	On-Demand	Anodyne	DRD4	28	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1cc(C)on1	ZINC000852488775	EG	On-Demand	Anodyne	CPT1A	71	41
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1cc(C)on1	ZINC000852488779	EG	On-Demand	Anodyne	CPT1A	71	41
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCC1(c2ccccc2)CCCC1	ZINC000852488785	ED	On-Demand	Anodyne	KCNA3	52	44
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCC1(c2ccccc2)CCCC1	ZINC000852488785	ED	On-Demand	Anodyne	NPFFR1	22	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CA2	56	43
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CA6	15	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CA1	55	43
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CA7	34	43
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	HRH3	17	50
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CA4	35	41
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CA12	39	43
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CA9	47	43
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CAH_METTE	23	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	NCE103	20	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	CA15	16	42
NS(=O)(=O)c1ccc(CCN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488797	EF	On-Demand	Anodyne	A6YCJ1_9METZ	22	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CA2	56	43
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CA6	15	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CA1	55	43
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CA7	34	43
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	HRH3	17	50
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CA4	35	41
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CA12	39	43
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CA9	47	43
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CAH_METTE	23	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	NCE103	20	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	CA15	16	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488798	EF	On-Demand	Anodyne	A6YCJ1_9METZ	22	42
CCCS(=O)(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852488814	GE	On-Demand	Anodyne	HTR1A	21	40
O=C1OCCN1CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852488815	FE	On-Demand	Anodyne	HTR1A	18	42
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000852488827	GH	On-Demand	Anodyne	ADRB1	27	42
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000852488827	GH	On-Demand	Anodyne	ADRB3	41	42
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000852488828	GH	On-Demand	Anodyne	ADRB1	27	42
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000852488828	GH	On-Demand	Anodyne	ADRB3	41	42
COc1ccc([C@@H](O)CNC(=O)NCc2c(OC)cccc2OC)cc1	ZINC000852488829	FE	On-Demand	Anodyne	ADRB2	20	40
COc1ccc([C@@H](O)CNC(=O)NCc2c(OC)cccc2OC)cc1	ZINC000852488829	FE	On-Demand	Anodyne	MTNR1A	37	44
COc1cccc(OC)c1CNC(=O)NC[C@@]1(O)CCCc2ccccc21	ZINC000852488833	FF	On-Demand	Anodyne	KCNA3	44	39
COc1cccc(OC)c1CNC(=O)NC[C@]1(O)CCCc2ccccc21	ZINC000852488834	FF	On-Demand	Anodyne	KCNA3	44	39
COc1cccc(OC)c1CNC(=O)N1CCC(c2cn[nH]c2)CC1	ZINC000852488835	EF	On-Demand	Anodyne	EPHX2	21	43
COc1cccc(OC)c1CNC(=O)NCC[C@H](O)c1ccccc1	ZINC000852488836	EF	On-Demand	Anodyne	KCNA3	26	40
COc1cccc(OC)c1CNC(=O)NCC[C@H](O)c1ccccc1	ZINC000852488836	EF	On-Demand	Anodyne	SOAT1	17	40
COc1cccc(OC)c1CNC(=O)NCC[C@@H](O)c1ccccc1	ZINC000852488837	EF	On-Demand	Anodyne	KCNA3	26	40
COc1cccc(OC)c1CNC(=O)NCC[C@@H](O)c1ccccc1	ZINC000852488837	EF	On-Demand	Anodyne	SOAT1	17	40
COc1cccc(OC)c1CNC(=O)NNC(=O)c1cnn(C)c1	ZINC000852488846	EC	On-Demand	Reactive	DRD4	41	32
COc1cccc(OC)c1CNC(=O)NNC(=O)c1cnn(C)c1	ZINC000852488846	EC	On-Demand	Reactive	HCN1	40	38
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1	ZINC000852488847	GG	On-Demand	Anodyne	PDS	42	37
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1	ZINC000852488848	GG	On-Demand	Anodyne	PDS	42	37
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488865	GF	On-Demand	Anodyne	ACE	29	41
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488865	GF	On-Demand	Anodyne	DRD2	28	40
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488865	GF	On-Demand	Anodyne	F10	15	40
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488865	GF	On-Demand	Anodyne	MME	19	41
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488865	GF	On-Demand	Anodyne	SIGMAR1	26	45
COc1cccc(OC)c1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488865	GF	On-Demand	Anodyne	HCRTR2	28	40
COc1cccc(OC)c1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488866	GF	On-Demand	Anodyne	ACE	29	41
COc1cccc(OC)c1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488866	GF	On-Demand	Anodyne	DRD2	28	40
COc1cccc(OC)c1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488866	GF	On-Demand	Anodyne	F10	15	40
COc1cccc(OC)c1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488866	GF	On-Demand	Anodyne	MME	19	41
COc1cccc(OC)c1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488866	GF	On-Demand	Anodyne	SIGMAR1	26	45
COc1cccc(OC)c1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852488866	GF	On-Demand	Anodyne	HCRTR2	28	40
Cc1cnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)o1	ZINC000852488878	GI	On-Demand	Anodyne	CCR5	79	34
Cc1cnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)o1	ZINC000852488878	GI	On-Demand	Anodyne	GPR119	43	44
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(=O)NC1CC1	ZINC000852488884	GG	On-Demand	Anodyne	EPHX2	30	41
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(=O)NC1CC1	ZINC000852488884	GG	On-Demand	Anodyne	BIRC2	45	38
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(=O)NC1CC1	ZINC000852488884	GG	On-Demand	Anodyne	GPR119	33	47
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCCC2OCCCO2)C1	ZINC000852488886	GH	On-Demand	Anodyne	GPR119	31	40
COc1ccc(OC)c([C@H](O)CNC(=O)NCC(F)(F)c2cccc(F)c2)c1	ZINC000852488897	GF	On-Demand	Anodyne	MTNR1A	23	45
CCc1nnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1	ZINC000852488900	GH	On-Demand	Anodyne	GPR119	37	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnn[nH]2)C1	ZINC000852488908	GF	On-Demand	Anodyne	CCR5	55	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnn[nH]2)C1	ZINC000852488908	GF	On-Demand	Anodyne	GPR119	37	46
CC(=O)N[C@@H](C)C(=O)OCC(=O)Nc1cccc(C(=O)N(C)C)c1	ZINC000852488909	EC	On-Demand	Anodyne	KCNK3	42	36
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488923	DE	On-Demand	Anodyne	CHRM2	35	46
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488923	DE	On-Demand	Anodyne	CHRM1	32	41
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488923	DE	On-Demand	Anodyne	CHRM4	30	40
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488923	DE	On-Demand	Anodyne	CHRM5	24	40
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488923	DE	On-Demand	Anodyne	CHRM3	55	46
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488923	DE	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488923	DE	On-Demand	Anodyne	CYP2J2	48	34
COc1cccc([C@H](O)CNC(=O)NCC(F)(F)c2cccc(F)c2)c1	ZINC000852488925	FF	On-Demand	Anodyne	PDS	41	33
NC(=O)[C@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488926	DE	On-Demand	Anodyne	CHRM2	35	46
NC(=O)[C@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488926	DE	On-Demand	Anodyne	CHRM1	32	41
NC(=O)[C@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488926	DE	On-Demand	Anodyne	CHRM4	30	40
NC(=O)[C@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488926	DE	On-Demand	Anodyne	CHRM5	24	40
NC(=O)[C@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488926	DE	On-Demand	Anodyne	CHRM3	55	46
NC(=O)[C@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488926	DE	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488926	DE	On-Demand	Anodyne	CYP2J2	48	34
O=C(NCC(F)(F)c1cccc(F)c1)NNC(=O)C1CCC1	ZINC000852488928	DE	On-Demand	Reactive	CACNA1G	39	45
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488929	DE	On-Demand	Anodyne	CHRM2	35	46
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488929	DE	On-Demand	Anodyne	CHRM1	32	41
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488929	DE	On-Demand	Anodyne	CHRM4	30	40
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488929	DE	On-Demand	Anodyne	CHRM5	24	40
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488929	DE	On-Demand	Anodyne	CHRM3	55	46
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488929	DE	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@@](O)(CN1CC[C@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488929	DE	On-Demand	Anodyne	CYP2J2	48	34
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488931	DE	On-Demand	Anodyne	CHRM2	35	46
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488931	DE	On-Demand	Anodyne	CHRM1	32	41
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488931	DE	On-Demand	Anodyne	CHRM4	30	40
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488931	DE	On-Demand	Anodyne	CHRM5	24	40
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488931	DE	On-Demand	Anodyne	CHRM3	55	46
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488931	DE	On-Demand	Anodyne	AMY2	48	33
NC(=O)[C@@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccccc1	ZINC000852488931	DE	On-Demand	Anodyne	CYP2J2	48	34
COc1cccc(OC)c1CNC(=O)N1CCCCCCC1	ZINC000852488933	DG	On-Demand	Anodyne	HTR1A	28	41
COc1cccc(OC)c1CNC(=O)N1CCCCCCC1	ZINC000852488933	DG	On-Demand	Anodyne	DRD2	33	42
COc1cccc(OC)c1CNC(=O)N1CCCCCCC1	ZINC000852488933	DG	On-Demand	Anodyne	EPHX2	17	43
COc1cccc(OC)c1CNC(=O)N1CCCCCCC1	ZINC000852488933	DG	On-Demand	Anodyne	DPP7	51	39
COc1cccc(OC)c1CNC(=O)N1CCCCCCC1	ZINC000852488933	DG	On-Demand	Anodyne	HCN1	49	40
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ccon2)C1	ZINC000852488934	GH	On-Demand	Anodyne	CCR5	71	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2ccon2)C1	ZINC000852488934	GH	On-Demand	Anodyne	GPR119	35	45
COc1cccc(OC)c1CNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852488936	GF	On-Demand	Anodyne	DRD2	17	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852488936	GF	On-Demand	Anodyne	BIRC2	27	41
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000852488939	GF	On-Demand	Anodyne	DRD2	17	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000852488939	GF	On-Demand	Anodyne	BIRC2	27	41
COc1ccc([C@H](NC(=O)COC(=O)[C@H](C)NC(C)=O)C2CC2)cc1	ZINC000852488942	ED	On-Demand	Anodyne	PSMB8	45	32
CCc1cnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)o1	ZINC000852488944	GI	On-Demand	Anodyne	GPR119	41	40
COc1ccc([C@@H](NC(=O)COC(=O)[C@H](C)NC(C)=O)C2CC2)cc1	ZINC000852488945	ED	On-Demand	Anodyne	PSMB8	45	32
C#CCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852488948	CF	On-Demand	Mild	HTR1A	17	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@@H]2CCOC2=O)C1	ZINC000852488955	FF	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@@H]2CCOC2=O)C1	ZINC000852488955	FF	On-Demand	Anodyne	LUXR	63	35
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@@H]2CCOC2=O)C1	ZINC000852488955	FF	On-Demand	Anodyne	TRAR	76	38
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@@H]2CCOC2=O)C1	ZINC000852488955	FF	On-Demand	Anodyne	LASR	48	38
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@H]2CCOC2=O)C1	ZINC000852488958	FF	On-Demand	Anodyne	GPR119	28	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@H]2CCOC2=O)C1	ZINC000852488958	FF	On-Demand	Anodyne	LUXR	63	35
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@H]2CCOC2=O)C1	ZINC000852488958	FF	On-Demand	Anodyne	TRAR	76	38
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](N[C@H]2CCOC2=O)C1	ZINC000852488958	FF	On-Demand	Anodyne	LASR	48	38
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@H]2CCCNC2=O)C1	ZINC000852488961	GF	On-Demand	Anodyne	GPR119	26	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N[C@@H]2CCCNC2=O)C1	ZINC000852488964	GF	On-Demand	Anodyne	GPR119	26	43
C#CCNC(=O)CN1CCN(c2ccc(Br)cc2)CC1	ZINC000852488970	ED	On-Demand	Mild	SLC27A1	31	41
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC#N)cc1	ZINC000852488975	FG	On-Demand	Mild	GPR119	46	41
NC(=O)COc1ccc(CN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488977	DF	On-Demand	Anodyne	LTA4H	43	40
NC(=O)COc1ccc(CN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488977	DF	On-Demand	Anodyne	HRH3	37	48
NC(=O)COc1ccc(CN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488977	DF	On-Demand	Anodyne	SIGMAR1	29	43
NC(=O)COc1ccc(CN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852488977	DF	On-Demand	Anodyne	CCR3	16	41
NC(=O)COc1ccc(CN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488978	DF	On-Demand	Anodyne	LTA4H	43	40
NC(=O)COc1ccc(CN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488978	DF	On-Demand	Anodyne	HRH3	37	48
NC(=O)COc1ccc(CN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488978	DF	On-Demand	Anodyne	SIGMAR1	29	43
NC(=O)COc1ccc(CN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852488978	DF	On-Demand	Anodyne	CCR3	16	41
CC[C@@H](C)CCNC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852488986	GF	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCc2cnn[nH]2)C1	ZINC000852488988	GF	On-Demand	Anodyne	CCR5	40	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCc2cnn[nH]2)C1	ZINC000852488988	GF	On-Demand	Anodyne	GPR119	32	46
CC[C@@H](C)CCNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000852488989	GF	On-Demand	Anodyne	GPR119	33	42
O=C(NCC(F)(F)c1cccc(F)c1)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000852488996	GF	On-Demand	Anodyne	MCHR1	15	44
O=C(NCC(F)(F)c1cccc(F)c1)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000852488998	GF	On-Demand	Anodyne	MCHR1	15	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnon2)C1	ZINC000852489000	GG	On-Demand	Anodyne	CCR5	71	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnon2)C1	ZINC000852489000	GG	On-Demand	Anodyne	GPR119	37	44
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)C(=O)N(C)C	ZINC000852489005	GF	On-Demand	Anodyne	GPR119	35	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCn2ccnc2)C1	ZINC000852489011	GG	On-Demand	Anodyne	CCR5	73	34
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCn2ccnc2)C1	ZINC000852489011	GG	On-Demand	Anodyne	GPR119	30	43
O=C(NCC(F)(F)c1cccc(F)c1)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852489014	GH	On-Demand	Anodyne	MLNR	27	41
O=C(NCC(F)(F)c1cccc(F)c1)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852489014	GH	On-Demand	Anodyne	EPHX2	23	43
COCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489017	FG	On-Demand	Anodyne	CCR5	57	35
COCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489017	FG	On-Demand	Anodyne	GPR119	38	50
O=C(NCC(F)(F)c1cccc(F)c1)N1CC[C@@H](c2ccccn2)C1	ZINC000852489022	EH	On-Demand	Anodyne	CCR2	38	41
O=C(NCC(F)(F)c1cccc(F)c1)N1CC[C@H](c2ccccn2)C1	ZINC000852489025	EH	On-Demand	Anodyne	CCR2	38	41
C[C@@H](O)CCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489041	GH	On-Demand	Anodyne	CCR5	77	36
C[C@@H](O)CCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489041	GH	On-Demand	Anodyne	GPR119	39	50
O=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccn1	ZINC000852489043	GE	On-Demand	Anodyne	HTR1A	32	47
O=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccn1	ZINC000852489043	GE	On-Demand	Anodyne	DRD2	22	47
O=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccn1	ZINC000852489043	GE	On-Demand	Anodyne	DRD4	30	42
O=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccn1	ZINC000852489043	GE	On-Demand	Anodyne	DRD3	23	43
O=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccn1	ZINC000852489043	GE	On-Demand	Anodyne	HTR7	33	46
O=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccn1	ZINC000852489043	GE	On-Demand	Anodyne	PRNP	49	42
O=C(CN1CCN(c2ccc(Br)cc2)CC1)NCc1ccccn1	ZINC000852489043	GE	On-Demand	Anodyne	SLC27A1	50	42
C#CCNC(=O)C1CCN(C(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852489052	FD	On-Demand	Mild	HTR1A	15	43
C#CCNC(=O)C1CCN(C(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852489052	FD	On-Demand	Mild	EPHX2	31	45
CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489054	GD	On-Demand	Reactive	SLC27A1	31	40
O[C@@H](CN1CCN(c2ccc(Br)cc2)CC1)c1cccnc1	ZINC000852489058	FF	On-Demand	Anodyne	ADRB3	18	40
O[C@H](CN1CCN(c2ccc(Br)cc2)CC1)c1cccnc1	ZINC000852489061	FF	On-Demand	Anodyne	ADRB3	18	40
Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)on1	ZINC000852489069	GI	On-Demand	Anodyne	CCR5	50	33
Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)on1	ZINC000852489069	GI	On-Demand	Anodyne	GPR119	31	44
CC1(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)COC1	ZINC000852489073	GH	On-Demand	Anodyne	GPR119	31	45
O=C(CN1CC[C@H](C2CCCCC2)C1)Nc1cccnc1Cl	ZINC000852489081	DH	On-Demand	Anodyne	G2YM83_BOTF4	66	34
O=C(CN1CC[C@@H](C2CCCCC2)C1)Nc1cccnc1Cl	ZINC000852489082	DH	On-Demand	Anodyne	G2YM83_BOTF4	66	34
O=C1CC2(CCN(C(=O)NCC(F)(F)c3cccc(F)c3)CC2)CN1	ZINC000852489083	FE	On-Demand	Anodyne	PLD2	43	34
C=CCCSCCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852489088	GD	On-Demand	Reactive	P96878_MYCTU	40	33
CCC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489089	EF	On-Demand	Anodyne	HTR1A	36	48
CCC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489089	EF	On-Demand	Anodyne	DRD2	20	44
CCC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489089	EF	On-Demand	Anodyne	DRD4	28	42
CCC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489089	EF	On-Demand	Anodyne	HTR2A	16	41
CCC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489089	EF	On-Demand	Anodyne	DRD3	23	41
CCC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489089	EF	On-Demand	Anodyne	HTR7	47	39
COc1cccc(OC)c1CNC(=O)NNC(=O)c1ccc2c(c1)OCCO2	ZINC000852489090	GD	On-Demand	Reactive	DRD3	17	44
CCOC(=O)N[C@H]1CCCN(C(=O)NCC(F)(F)c2cccc(F)c2)C1	ZINC000852489095	FF	On-Demand	Anodyne	CCR2	42	37
CCOC(=O)N1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852489099	FF	On-Demand	Anodyne	CHRM1	16	49
CCOC(=O)N1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852489099	FF	On-Demand	Anodyne	GRIN2B	20	41
CCOC(=O)N1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852489099	FF	On-Demand	Anodyne	CCR2	48	39
CCOC(=O)N1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852489099	FF	On-Demand	Anodyne	EPHX2	46	49
CCOC(=O)N1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	ZINC000852489099	FF	On-Demand	Anodyne	CACNA1G	33	40
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852489104	FD	On-Demand	Reactive	CA2	20	45
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852489104	FD	On-Demand	Reactive	CA1	25	45
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852489104	FD	On-Demand	Reactive	CA7	15	45
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852489104	FD	On-Demand	Reactive	CA14	16	45
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852489104	FD	On-Demand	Reactive	CA9	22	40
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852489104	FD	On-Demand	Reactive	MTCA1	40	37
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1	ZINC000852489104	FD	On-Demand	Reactive	P96878_MYCTU	52	40
COc1cccc(OC)c1CNC(=O)N(C)Cc1cccc(C(N)=O)c1	ZINC000852489116	FE	On-Demand	Anodyne	ROCK2	17	43
COc1cccc(OC)c1CNC(=O)N(C)Cc1cccc(C(N)=O)c1	ZINC000852489116	FE	On-Demand	Anodyne	MT-ND1	17	40
COc1cccc(OC)c1CNC(=O)N(C)Cc1cccc(C(N)=O)c1	ZINC000852489116	FE	On-Demand	Anodyne	HSD17B2	27	41
N#Cc1ccc(-c2cc(N3CCN(Cc4cnc(Cl)c(F)c4)CC3)n[nH]2)cc1	ZINC000852489119	GG	On-Demand	Mild	DRD4	17	40
COC[C@@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489132	GF	On-Demand	Anodyne	CCR5	76	37
COC[C@@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489132	GF	On-Demand	Anodyne	GPR119	32	49
COc1ccccc1[C@@H](O)CNC(=O)NCc1c(OC)cccc1OC	ZINC000852489158	FE	On-Demand	Anodyne	SOAT1	31	44
CC[C@@H](C)CCNC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000852489166	EF	On-Demand	Anodyne	TRPV1	17	40
Brc1ccc(N2CCN(CCC3OCCCO3)CC2)cc1	ZINC000852489168	FF	On-Demand	Anodyne	HTR1A	17	42
Brc1ccc(N2CCN(CCC3OCCCO3)CC2)cc1	ZINC000852489168	FF	On-Demand	Anodyne	DRD3	15	42
Cn1nnnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1	ZINC000852489171	FE	On-Demand	Anodyne	TACR1	25	43
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)N2CCC2)C1	ZINC000852489173	GF	On-Demand	Anodyne	CCR5	84	35
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC(=O)N2CCC2)C1	ZINC000852489173	GF	On-Demand	Anodyne	GPR119	43	49
C=CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489179	GF	On-Demand	Mild	CCR5	59	34
C=CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489179	GF	On-Demand	Mild	GPR119	29	47
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@H]2CCC(=O)O2)C1	ZINC000852489182	GG	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC[C@@H]2CCC(=O)O2)C1	ZINC000852489183	GG	On-Demand	Anodyne	GPR119	26	44
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnc[nH]2)C1	ZINC000852489184	FG	On-Demand	Anodyne	CCR5	55	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCc2cnc[nH]2)C1	ZINC000852489184	FG	On-Demand	Anodyne	GPR119	39	45
C=CCCSCCNC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852489196	EF	On-Demand	Mild	EPHX2	17	41
CC[C@@H](C(=O)NNC(=O)NCC(F)(F)c1cccc(F)c1)c1ccccc1	ZINC000852489201	GG	On-Demand	Reactive	KCNQ2	32	41
CC[C@@H](C(=O)NNC(=O)NCC(F)(F)c1cccc(F)c1)c1ccccc1	ZINC000852489201	GG	On-Demand	Reactive	PDS	42	36
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC2(CO)COC2)C1	ZINC000852489202	GF	On-Demand	Anodyne	CCR5	74	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCC2(CO)COC2)C1	ZINC000852489202	GF	On-Demand	Anodyne	GPR119	32	46
Cn1ncnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489207	GF	On-Demand	Anodyne	CCR5	54	32
Cn1ncnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489207	GF	On-Demand	Anodyne	GPR119	40	44
O=C(NCC(F)(F)c1cccc(F)c1)N1CCC(C(=O)C(F)(F)F)CC1	ZINC000852489208	GG	On-Demand	Anodyne	CACNA1G	35	44
N=C(O)OC[C@H](Cc1ccccc1)NC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852489212	GG	On-Demand	Anodyne	NPFFR1	41	32
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)NCC(F)(F)c1cccc(F)c1	ZINC000852489213	GG	On-Demand	Anodyne	NPFFR1	41	32
CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489216	GF	On-Demand	Anodyne	CCR5	73	33
CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1	ZINC000852489216	GF	On-Demand	Anodyne	GPR119	39	51
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCCO)C1	ZINC000852489217	FG	On-Demand	Anodyne	CCR5	45	33
CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H](NCCCCO)C1	ZINC000852489217	FG	On-Demand	Anodyne	GPR119	35	47
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(=O)N(C)C	ZINC000852489218	GF	On-Demand	Anodyne	CCR5	78	35
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)C(=O)N(C)C	ZINC000852489218	GF	On-Demand	Anodyne	GPR119	33	49
CC[C@@H](C)CCNC(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1	ZINC000852489224	EF	On-Demand	Anodyne	TRPV1	17	40
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852489233	DE	On-Demand	Reactive	ADRB1	17	42
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852489233	DE	On-Demand	Reactive	BMP1	18	41
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852489233	DE	On-Demand	Reactive	MTNR1A	43	37
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852489233	DE	On-Demand	Reactive	MTNR1B	39	43
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852489233	DE	On-Demand	Reactive	NPY5R	19	40
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852489233	DE	On-Demand	Reactive	CA12	20	43
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(OC)cc1	ZINC000852489233	DE	On-Demand	Reactive	CA9	21	43
CC(=O)CCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852489237	DE	On-Demand	Mild	DRD4	26	47
CC(=O)CCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852489237	DE	On-Demand	Mild	PRKD1	15	41
O=C(CCN1CC[C@H](C2CCCCC2)C1)N1CCCC1	ZINC000852489245	CF	On-Demand	Anodyne	PREP	16	41
O=C(CCN1CC[C@@H](C2CCCCC2)C1)N1CCCC1	ZINC000852489255	CF	On-Demand	Anodyne	PREP	16	41
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCc1ccc(OC(F)(F)F)cc1	ZINC000852489259	FD	On-Demand	Anodyne	GRIN2B	16	41
O=C1OCC[C@H]1CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489261	FF	On-Demand	Anodyne	DRD4	16	43
O=C1OCC[C@@H]1CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489262	FF	On-Demand	Anodyne	DRD4	16	43
CC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489267	DF	On-Demand	Anodyne	HTR1A	52	50
CC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489267	DF	On-Demand	Anodyne	DRD2	27	44
CC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489267	DF	On-Demand	Anodyne	DRD4	45	39
CC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489267	DF	On-Demand	Anodyne	HTR2A	23	44
CC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489267	DF	On-Demand	Anodyne	DRD3	32	43
CC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489267	DF	On-Demand	Anodyne	HTR7	65	41
CC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489267	DF	On-Demand	Anodyne	PAOX	18	40
COc1cccc(OC)c1CNC(=O)N1CCC2(CCCC2)C1	ZINC000852489268	DG	On-Demand	Anodyne	HCN1	54	40
COc1cccc(OC)c1CNC(=O)N1CCC2(CCCC2)C1	ZINC000852489268	DG	On-Demand	Anodyne	HCN4	49	36
COc1cccc(OC)c1CNC(=O)NCc1ccc(N(C)C)cc1	ZINC000852489272	EF	On-Demand	Clean	ROCK2	15	45
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccccc1C	ZINC000852489274	EF	On-Demand	Anodyne	SOAT1	23	42
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccccc1C	ZINC000852489276	EF	On-Demand	Anodyne	SOAT1	23	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000852489293	GF	On-Demand	Anodyne	DRD2	32	48
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000852489297	GF	On-Demand	Anodyne	DRD2	32	48
CCOC(=O)N1CCC(NC(=O)CN2CC[C@H](C3CCCCC3)C2)CC1	ZINC000852489317	FF	On-Demand	Anodyne	EPHX2	20	42
CCOC(=O)N1CCC(NC(=O)CN2CC[C@H](C3CCCCC3)C2)CC1	ZINC000852489317	FF	On-Demand	Anodyne	CCR8	19	43
CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H](C3CCCCC3)C2)CC1	ZINC000852489318	FF	On-Demand	Anodyne	EPHX2	20	42
CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H](C3CCCCC3)C2)CC1	ZINC000852489318	FF	On-Demand	Anodyne	CCR8	19	43
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccccc1F	ZINC000852489319	EE	On-Demand	Anodyne	SOAT1	19	41
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccccc1F	ZINC000852489322	EE	On-Demand	Anodyne	SOAT1	19	41
COc1cccc(OC)c1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000852489325	FF	On-Demand	Bother	SSTR1	38	41
N#Cc1ccc(-c2cc(N3CCN(Cc4cccc(F)n4)CC3)n[nH]2)cc1	ZINC000852489326	FF	On-Demand	Mild	DRD4	15	42
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccccc1C(F)(F)F	ZINC000852489328	GG	On-Demand	Anodyne	SOAT1	21	42
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F	ZINC000852489331	GG	On-Demand	Anodyne	SOAT1	21	42
CC(C)(C)OC(=O)[C@]1(NCC(=O)OCc2ccccc2)CCOC1	ZINC000852489334	ED	On-Demand	Anodyne	SLC12A5	66	38
COc1cccc(OC)c1CNC(=O)NNC(=O)CC(C)C	ZINC000852489336	DD	On-Demand	Reactive	ANPEP	18	45
COc1cccc(OC)c1CNC(=O)NNC(=O)CC(C)C	ZINC000852489336	DD	On-Demand	Reactive	MTNR1B	20	40
C[C@H](C#N)OCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852489339	GG	On-Demand	Mild	GPR119	36	43
CC[C@@H](C)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000852489340	EG	On-Demand	Clean	MTNR1A	26	42
CC[C@@H](C)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000852489340	EG	On-Demand	Clean	MTNR1B	21	42
C[C@@H](C#N)OCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852489341	GG	On-Demand	Mild	GPR119	36	43
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@@H](O)C2CC2)cc1	ZINC000852489357	GG	On-Demand	Anodyne	GPR119	33	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@H](O)C2CC2)cc1	ZINC000852489360	GG	On-Demand	Anodyne	GPR119	33	40
Cc1cnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)o1	ZINC000852489380	GI	On-Demand	Anodyne	GPR119	48	41
COC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852489387	GF	On-Demand	Anodyne	GPR119	35	40
COC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852489387	GF	On-Demand	Anodyne	NPBWR1	42	31
CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1)C(N)=O	ZINC000852489389	GF	On-Demand	Anodyne	GPR119	34	40
CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1)C(N)=O	ZINC000852489392	GF	On-Demand	Anodyne	GPR119	34	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@@H](O)C2CC2)C1	ZINC000852489398	GG	On-Demand	Anodyne	GPR119	39	48
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@H](O)C2CC2)C1	ZINC000852489400	GG	On-Demand	Anodyne	GPR119	39	48
CC(C)(C)OC(=O)NCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852489414	GF	On-Demand	Mild	DRD2	24	48
CC(C)(C)OC(=O)NCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852489414	GF	On-Demand	Mild	DRD4	46	35
CC(C)(C)OC(=O)NCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852489414	GF	On-Demand	Mild	DRD3	41	40
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	F2	41	42
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	PRSS1	15	42
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	ACE	43	47
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CELA1	25	40
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	ELANE	24	41
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CTRA_BOVIN	61	32
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	KLK3	69	35
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CTSB	61	40
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	PAPA1_CARPA	64	34
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	TRY1_BOVIN	41	33
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CTSG	41	32
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CTSK	45	42
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CTSL	45	42
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	PREP	47	45
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CAPNS1	59	35
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CELA2A	49	32
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	REN	65	38
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CAPN1	73	48
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	CAPN2	121	48
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	TGM2	35	42
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	TPSAB1	26	44
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	NPR	71	41
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	F13A1	20	42
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	PSMB5	44	37
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	BIRC2	24	43
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	Q6PRC7_IXORI	58	35
CC[C@@H](C)CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489420	GH	On-Demand	Anodyne	TMPRSS11D	43	38
Brc1ccc(N2CCN(CC3OCCO3)CC2)cc1	ZINC000852489421	ED	On-Demand	Anodyne	DRD4	18	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852489423	EE	On-Demand	Anodyne	IMDH_CRYPV	48	36
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	F2	41	42
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	PRSS1	15	42
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	ACE	43	47
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CELA1	25	40
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	ELANE	24	41
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CTRA_BOVIN	61	32
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	KLK3	69	35
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CTSB	61	40
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	PAPA1_CARPA	64	34
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	TRY1_BOVIN	41	33
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CTSG	41	32
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CTSK	45	42
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CTSL	45	42
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	PREP	47	45
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CAPNS1	59	35
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CELA2A	49	32
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	REN	65	38
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CAPN1	73	48
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	CAPN2	121	48
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	TGM2	35	42
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	TPSAB1	26	44
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	NPR	71	41
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	F13A1	20	42
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	PSMB5	44	37
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	BIRC2	24	43
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	Q6PRC7_IXORI	58	35
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1	ZINC000852489424	GH	On-Demand	Anodyne	TMPRSS11D	43	38
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000852489427	EE	On-Demand	Anodyne	IMDH_CRYPV	48	36
O=C(CCN1CCN(c2ccc(Br)cc2)CC1)C1CC1	ZINC000852489436	EF	On-Demand	Anodyne	HTR1A	36	47
O=C(CCN1CCN(c2ccc(Br)cc2)CC1)C1CC1	ZINC000852489436	EF	On-Demand	Anodyne	DRD2	20	40
O=C(CCN1CCN(c2ccc(Br)cc2)CC1)C1CC1	ZINC000852489436	EF	On-Demand	Anodyne	HTR2A	19	40
O=C(CCN1CCN(c2ccc(Br)cc2)CC1)C1CC1	ZINC000852489436	EF	On-Demand	Anodyne	DRD3	25	40
O=C(CCN1CCN(c2ccc(Br)cc2)CC1)C1CC1	ZINC000852489436	EF	On-Demand	Anodyne	HTR7	41	38
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852489437	FF	On-Demand	Anodyne	ADRB2	37	41
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852489437	FF	On-Demand	Anodyne	ADRB1	41	51
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852489437	FF	On-Demand	Anodyne	ADRB3	61	51
CN(C[C@@](C)(O)c1ccccc1)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852489438	GG	On-Demand	Anodyne	AMY2	61	37
CN(C[C@@](C)(O)c1ccccc1)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852489439	GG	On-Demand	Anodyne	AMY2	61	37
N#Cc1ccc(-c2cc(N3CCN(Cc4ccnc(Cl)c4)CC3)n[nH]2)cc1	ZINC000852489441	GG	On-Demand	Mild	DRD4	18	42
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852489442	FF	On-Demand	Anodyne	ADRB2	37	41
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852489442	FF	On-Demand	Anodyne	ADRB1	41	51
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852489442	FF	On-Demand	Anodyne	ADRB3	61	51
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852489444	ED	On-Demand	Bother	COLA	88	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000852489446	ED	On-Demand	Bother	COLA	88	42
COc1cccc(OC)c1CNC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852489452	GF	On-Demand	Anodyne	DRD2	19	45
COc1cccc(OC)c1CNC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852489452	GF	On-Demand	Anodyne	EPHX2	37	42
CN(C)S(=O)(=O)N1CCN(C[C@@H](O)c2cccnc2)CC1	ZINC000852489458	DB	On-Demand	Anodyne	ADRB3	43	43
CN(C)S(=O)(=O)N1CCN(C[C@H](O)c2cccnc2)CC1	ZINC000852489460	DB	On-Demand	Anodyne	ADRB3	43	43
C#CCOCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489469	DE	On-Demand	Mild	HTR1A	17	41
C#CCOCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489469	DE	On-Demand	Mild	DRD4	17	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCn2ccnc2)C1	ZINC000852489487	GG	On-Demand	Anodyne	GPR119	33	41
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCCO)cc1F	ZINC000852489489	GF	On-Demand	Anodyne	GPR119	34	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2cnn[nH]2)C1	ZINC000852489499	GF	On-Demand	Anodyne	GPR119	45	43
O=C(NCc1ccc2occc2c1)N1CCC(Oc2cncc(Cl)n2)CC1	ZINC000852489500	GH	On-Demand	Anodyne	EPHX2	16	42
O=C1NC2(CCN(C(=O)NCc3ccc(-c4cccs4)cc3)CC2)CO1	ZINC000852489501	FG	On-Demand	Anodyne	HDAC1	16	51
CCNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852489502	GG	On-Demand	Anodyne	GPR119	38	46
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@H](C)CCC#N)cc1	ZINC000852489508	GI	On-Demand	Mild	GPR119	38	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H](C)CCC#N)cc1	ZINC000852489509	GI	On-Demand	Mild	GPR119	38	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@@H](C)CO)cc1	ZINC000852489510	GG	On-Demand	Anodyne	GPR119	33	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@H](C)CO)cc1	ZINC000852489511	GG	On-Demand	Anodyne	GPR119	33	40
Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1ccc2occc2c1	ZINC000852489512	EI	On-Demand	Anodyne	LUXR	45	36
O=C(NCc1ccc2occc2c1)N1CCN2C(=O)OCC[C@H]2C1	ZINC000852489513	EE	On-Demand	Anodyne	NPSR1	27	41
O=C(NCc1ccc2occc2c1)N1CCN2C(=O)OCC[C@@H]2C1	ZINC000852489514	EE	On-Demand	Anodyne	NPSR1	27	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@@H]2CNC(=O)O2)C1	ZINC000852489517	GF	On-Demand	Anodyne	GPR119	27	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@H]2CNC(=O)O2)C1	ZINC000852489518	GF	On-Demand	Anodyne	GPR119	27	41
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc2occc2c1	ZINC000852489519	GH	On-Demand	Clean	EPHB4	59	33
COc1cccc(OC)c1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852489557	GF	On-Demand	Clean	EPHB4	40	34
COc1cccc(OC)c1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852489557	GF	On-Demand	Clean	STAT6	47	38
COc1cccc(OC)c1CNC(=O)NCC(=O)OCc1ccccc1Cl	ZINC000852489568	GF	On-Demand	Anodyne	FABP4	15	40
COc1cccc(OC)c1CNC(=O)NCC(=O)OCc1ccccc1Cl	ZINC000852489568	GF	On-Demand	Anodyne	FABP5	28	40
COc1cccc(OC)c1CNC(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000852489572	FF	On-Demand	Clean	ROCK2	17	42
CC[C@@H](C)CCNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852489577	EE	On-Demand	Anodyne	PRSS2	45	30
CC[C@@H](C)CCNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852489577	EE	On-Demand	Anodyne	EPHX2	16	44
CC[C@@H](C)CCNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852489577	EE	On-Demand	Anodyne	SCD1	15	42
CC[C@@H](C)CCNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852489577	EE	On-Demand	Anodyne	GPR119	27	40
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccc(F)cc1	ZINC000852489584	EE	On-Demand	Anodyne	ADRB2	20	40
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccc(F)cc1	ZINC000852489585	EE	On-Demand	Anodyne	ADRB2	20	40
COc1cccc(OC)c1CNC(=O)N1CCC(C(=O)NCC(C)C)CC1	ZINC000852489586	GE	On-Demand	Anodyne	MTNR1A	17	45
COc1cccc(OC)c1CNC(=O)N1CCC(C(=O)NCC(C)C)CC1	ZINC000852489586	GE	On-Demand	Anodyne	MTNR1B	18	45
COc1cccc(OC)c1CNC(=O)N1CCC(C(=O)NCC(C)C)CC1	ZINC000852489586	GE	On-Demand	Anodyne	EPHX2	28	44
CC[C@@H](C)CCNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852489589	DH	On-Demand	Anodyne	OPRL1	15	53
CC[C@@H](C)CCNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852489589	DH	On-Demand	Anodyne	EPHX2	19	45
Brc1ccc(N2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1	ZINC000852489602	GG	On-Demand	Anodyne	CYP11B1	20	40
Brc1ccc(N2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1	ZINC000852489602	GG	On-Demand	Anodyne	DRD4	22	40
CC[C@@H](C)CCNC(=O)NCc1ccccc1O	ZINC000852489609	CF	On-Demand	Clean	ANPEP	21	40
CCOC(=O)N1CCC(NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852489618	FE	On-Demand	Anodyne	DRD2	19	40
CCOC(=O)N1CCC(NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852489618	FE	On-Demand	Anodyne	EPHX2	52	43
CCOC(=O)N1CCC(NC(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852489618	FE	On-Demand	Anodyne	CCR8	34	42
CC[C@@H](C)CCNC(=O)NCc1cccc(Br)c1O	ZINC000852489621	EG	On-Demand	Clean	ANPEP	18	43
NS(=O)(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489623	EC	On-Demand	Anodyne	HTR1A	26	42
NS(=O)(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489623	EC	On-Demand	Anodyne	HTR2A	17	42
NS(=O)(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489623	EC	On-Demand	Anodyne	DRD3	15	40
N#Cc1ccc(-c2cc(N3CCN(Cc4ccc(Cl)nc4)CC3)n[nH]2)cc1	ZINC000852489663	GG	On-Demand	Mild	DRD4	15	42
N#Cc1ccc(-c2cc(N3CCN(Cc4ccc(Cl)nc4)CC3)n[nH]2)cc1	ZINC000852489663	GG	On-Demand	Mild	Q8WSF8_APLCA	42	38
N#Cc1ccc(-c2cc(N3CCN(Cc4ccc(Cl)nc4)CC3)n[nH]2)cc1	ZINC000852489663	GG	On-Demand	Mild	NACHRBETA2	44	38
COc1cccc(OC)c1CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	ZINC000852489665	GE	On-Demand	Reactive	MTNR1B	16	40
COc1cccc(OC)c1CNC(=O)NNC(=O)Nc1ccc(N(C)C)cc1	ZINC000852489665	GE	On-Demand	Reactive	ROCK2	16	56
COc1cccc(OC)c1CNC(=O)N[C@@H](C)COc1ccccc1	ZINC000852489675	EF	On-Demand	Anodyne	ANPEP	18	45
COc1cccc(OC)c1CNC(=O)N[C@@H](C)COc1ccccc1	ZINC000852489675	EF	On-Demand	Anodyne	MTNR1A	15	50
COc1cccc(OC)c1CNC(=O)N[C@@H](C)COc1ccccc1	ZINC000852489675	EF	On-Demand	Anodyne	MTNR1B	22	50
COc1cccc(OC)c1CNC(=O)N[C@@H](C)COc1ccccc1	ZINC000852489675	EF	On-Demand	Anodyne	PDS	82	40
COc1cccc(OC)c1CNC(=O)N[C@H](C)COc1ccccc1	ZINC000852489676	EF	On-Demand	Anodyne	ANPEP	18	45
COc1cccc(OC)c1CNC(=O)N[C@H](C)COc1ccccc1	ZINC000852489676	EF	On-Demand	Anodyne	MTNR1A	15	50
COc1cccc(OC)c1CNC(=O)N[C@H](C)COc1ccccc1	ZINC000852489676	EF	On-Demand	Anodyne	MTNR1B	22	50
COc1cccc(OC)c1CNC(=O)N[C@H](C)COc1ccccc1	ZINC000852489676	EF	On-Demand	Anodyne	PDS	82	40
Brc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	ZINC000852489677	EF	On-Demand	Anodyne	HTR1A	33	47
Brc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	ZINC000852489677	EF	On-Demand	Anodyne	DRD2	21	47
Brc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	ZINC000852489677	EF	On-Demand	Anodyne	DRD4	38	40
Brc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	ZINC000852489677	EF	On-Demand	Anodyne	HTR2A	18	47
Brc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	ZINC000852489677	EF	On-Demand	Anodyne	DRD3	22	41
Brc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	ZINC000852489677	EF	On-Demand	Anodyne	HTR7	33	40
Brc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	ZINC000852489677	EF	On-Demand	Anodyne	L3MBTL3	41	44
Brc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	ZINC000852489677	EF	On-Demand	Anodyne	Q9FYV8_MAIZE	26	42
COc1ccc2c(c1)CN(C(=O)NCc1ccc3occc3c1)CCO2	ZINC000852489678	FH	On-Demand	Anodyne	BMP1	56	37
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCC[C@@H](C)O)cc1	ZINC000852489679	GH	On-Demand	Anodyne	GPR119	39	41
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCC[C@H](C)O)cc1	ZINC000852489680	GH	On-Demand	Anodyne	GPR119	39	41
CCOC(=O)N1CCC(NC(=O)NCc2ccc(-c3cccs3)cc2)CC1	ZINC000852489692	GH	On-Demand	Anodyne	GRIN2B	18	41
CCOC(=O)N1CCC(NC(=O)NCc2ccc(-c3cccs3)cc2)CC1	ZINC000852489692	GH	On-Demand	Anodyne	EPHX2	40	39
CCOC(=O)N1CCC(NC(=O)NCc2ccc(-c3cccs3)cc2)CC1	ZINC000852489692	GH	On-Demand	Anodyne	CCR8	31	43
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC#N)cc1F	ZINC000852489704	FG	On-Demand	Mild	GPR119	41	43
O=C(NCc1ccc(-c2cccs2)cc1)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000852489717	GH	On-Demand	Anodyne	DRD4	16	47
O=C(NCc1ccc(-c2cccs2)cc1)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000852489719	GH	On-Demand	Anodyne	DRD4	16	47
NC(=O)c1cc(OC2CCN(C(=O)NCc3ccc4occc4c3)CC2)ccn1	ZINC000852489723	GF	On-Demand	Anodyne	PRSS2	62	34
NC(=O)c1cc(OC2CCN(C(=O)NCc3ccc4occc4c3)CC2)ccn1	ZINC000852489723	GF	On-Demand	Anodyne	EPHX2	16	44
COc1ccc(O)c([C@@H](C)NC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852489724	FF	On-Demand	Clean	THRA	45	33
COc1ccc(O)c([C@@H](C)NC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852489724	FF	On-Demand	Clean	THRB	53	33
COc1ccc(O)c([C@@H](C)NC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852489724	FF	On-Demand	Clean	MTNR1A	51	40
COc1ccc(O)c([C@@H](C)NC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852489724	FF	On-Demand	Clean	MTNR1B	50	40
COc1ccc(O)c([C@H](C)NC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852489726	FF	On-Demand	Clean	THRA	45	33
COc1ccc(O)c([C@H](C)NC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852489726	FF	On-Demand	Clean	THRB	53	33
COc1ccc(O)c([C@H](C)NC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852489726	FF	On-Demand	Clean	MTNR1A	51	40
COc1ccc(O)c([C@H](C)NC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852489726	FF	On-Demand	Clean	MTNR1B	50	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCOCCC#N)C1	ZINC000852489729	GG	On-Demand	Mild	GPR119	27	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC(C)(C)O)cc1	ZINC000852489739	GG	On-Demand	Anodyne	GPR119	40	38
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCc2ccc3occc3c2)CC1	ZINC000852489746	GH	On-Demand	Anodyne	ACACB	15	41
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCc2ccc3occc3c2)CC1	ZINC000852489746	GH	On-Demand	Anodyne	CACNA1I	52	34
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCCCCO)C1	ZINC000852489752	GH	On-Demand	Anodyne	GPR119	38	43
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2ccc3occc3c2)CC1	ZINC000852489771	GH	On-Demand	Anodyne	CACNA1I	55	38
CC(C)(C)OC(=O)N1CCC(CNC(=O)NCc2ccc3occc3c2)CC1	ZINC000852489771	GH	On-Demand	Anodyne	GPR119	46	41
COc1cccc(OC)c1CNC(=O)NNC(=O)C(C)C	ZINC000852489773	CD	On-Demand	Reactive	ANPEP	21	49
Cc1nonc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852489774	GG	On-Demand	Anodyne	GPR119	35	41
CC[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852489781	GG	On-Demand	Anodyne	GPR119	37	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC2(C#N)CC2)C1	ZINC000852489784	FH	On-Demand	Mild	GPR119	36	41
CN1CC[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)C1=O	ZINC000852489785	GF	On-Demand	Anodyne	GPR119	31	43
CCOC(=O)N1CCC(NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852489793	EF	On-Demand	Anodyne	SSTR5	46	36
CCOC(=O)N1CCC(NC(=O)NCc2ccc3occc3c2)CC1	ZINC000852489793	EF	On-Demand	Anodyne	EPHX2	30	44
FC(F)OCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489794	EF	On-Demand	Anodyne	HTR1A	15	40
FC(F)OCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489794	EF	On-Demand	Anodyne	DRD4	26	40
FC(F)OCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489794	EF	On-Demand	Anodyne	SLC6A3	30	46
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCCCC#N)C1	ZINC000852489798	GI	On-Demand	Mild	GPR119	33	43
C=CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852489799	GF	On-Demand	Mild	GPR119	36	44
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2ncccn2)C1	ZINC000852489800	GG	On-Demand	Anodyne	GRIN2B	17	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2ncccn2)C1	ZINC000852489800	GG	On-Demand	Anodyne	GPR119	54	44
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCCCO)cc1F	ZINC000852489804	GG	On-Demand	Anodyne	GPR119	34	42
CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852489805	GF	On-Demand	Anodyne	GPR119	37	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC(=O)N2CCC2)C1	ZINC000852489813	GF	On-Demand	Anodyne	GPR119	48	46
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC(=O)N2CCC2)C1	ZINC000852489813	GF	On-Demand	Anodyne	KDM1A	17	42
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2ccno2)cc1	ZINC000852489814	GH	On-Demand	Anodyne	NPBWR1	42	32
COc1ccc(N2CCC(NC(=O)NCc3ccc4occc4c3)CC2)cc1	ZINC000852489815	GH	On-Demand	Clean	PDK1	47	35
COc1ccc(N2CCC(NC(=O)NCc3ccc4occc4c3)CC2)cc1	ZINC000852489815	GH	On-Demand	Clean	MCHR1	20	54
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCCC#N)cc1F	ZINC000852489818	GH	On-Demand	Mild	GPR119	34	42
CC[C@@H](C)CCNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000852489825	EG	On-Demand	Anodyne	CTSK	16	44
CC[C@@H](C)CCNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852489847	DE	On-Demand	Anodyne	ADRB2	28	44
CC[C@@H](C)CCNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852489847	DE	On-Demand	Anodyne	ADRB1	51	42
CC[C@@H](C)CCNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852489847	DE	On-Demand	Anodyne	PDS	80	47
CC[C@@H](C)CCNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852489848	DE	On-Demand	Anodyne	ADRB2	28	44
CC[C@@H](C)CCNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852489848	DE	On-Demand	Anodyne	ADRB1	51	42
CC[C@@H](C)CCNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852489848	DE	On-Demand	Anodyne	PDS	80	47
CON(C)C(=O)CCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1	ZINC000852489853	FD	On-Demand	Mild	DRD4	15	42
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F	ZINC000852489854	EG	On-Demand	Anodyne	SOAT1	17	41
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1ccccc1C(F)(F)F	ZINC000852489856	EG	On-Demand	Anodyne	SOAT1	17	41
CC[C@@H](C)CCNC(=O)N1CCC(NC(=O)OC)CC1	ZINC000852489859	CD	On-Demand	Anodyne	EPHX2	18	41
CC[C@@H](C)CCNC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852489868	DF	On-Demand	Anodyne	CCR1	26	45
CC[C@@H](C)CCNC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852489869	DF	On-Demand	Anodyne	CCR1	26	45
CC[C@@H](C)CCNC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852489892	GF	On-Demand	Anodyne	GPR119	21	40
CC[C@@H](C)CCNC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000852489894	GF	On-Demand	Anodyne	GPR119	21	40
CC[C@@H](C)CCNC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852489913	DF	On-Demand	Anodyne	EPHX2	29	46
CC[C@@H](C)CCNC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852489913	DF	On-Demand	Anodyne	GPR119	17	40
O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489941	GD	On-Demand	Anodyne	PIK3CA	34	41
O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489941	GD	On-Demand	Anodyne	MTOR	69	41
O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489941	GD	On-Demand	Anodyne	EPHX2	23	43
O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489941	GD	On-Demand	Anodyne	PIK3CG	22	41
O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489941	GD	On-Demand	Anodyne	TERT	15	40
O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489941	GD	On-Demand	Anodyne	STAT6	55	34
O=C(CCN1CCN([C@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489941	GD	On-Demand	Anodyne	L3MBTL3	31	40
O=C(CCN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489942	GD	On-Demand	Anodyne	PIK3CA	34	41
O=C(CCN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489942	GD	On-Demand	Anodyne	MTOR	69	41
O=C(CCN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489942	GD	On-Demand	Anodyne	EPHX2	23	43
O=C(CCN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489942	GD	On-Demand	Anodyne	PIK3CG	22	41
O=C(CCN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489942	GD	On-Demand	Anodyne	TERT	15	40
O=C(CCN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489942	GD	On-Demand	Anodyne	STAT6	55	34
O=C(CCN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852489942	GD	On-Demand	Anodyne	L3MBTL3	31	40
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCC1(c2ccccc2)CC1	ZINC000852489951	DC	On-Demand	Anodyne	KCNA3	53	43
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCC1(c2ccccc2)CC1	ZINC000852489951	DC	On-Demand	Anodyne	SOAT1	15	44
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCC1(c2ccccc2)CC1	ZINC000852489951	DC	On-Demand	Anodyne	NPFFR1	20	43
O=C1OCCN1CCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489952	FE	On-Demand	Anodyne	HTR1A	37	49
O=C1OCCN1CCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489952	FE	On-Demand	Anodyne	DRD2	16	44
O=C1OCCN1CCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489952	FE	On-Demand	Anodyne	HTR2A	19	41
O=C1OCCN1CCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489952	FE	On-Demand	Anodyne	DRD3	17	41
O=C1OCCN1CCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852489952	FE	On-Demand	Anodyne	HTR7	39	40
Brc1ccc(N2CCN(CCC3OCCO3)CC2)cc1	ZINC000852489966	EE	On-Demand	Anodyne	HTR1A	18	43
Brc1ccc(N2CCN(CCC3OCCO3)CC2)cc1	ZINC000852489966	EE	On-Demand	Anodyne	DRD4	24	43
Brc1ccc(N2CCN(CCC3OCCO3)CC2)cc1	ZINC000852489966	EE	On-Demand	Anodyne	DRD3	17	43
CCn1nc(C)c(CN2CCN(c3ccc(Br)cc3)CC2)n1	ZINC000852489970	FF	On-Demand	Anodyne	DRD4	22	40
COc1cccc(OC)c1CNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000852489971	GG	On-Demand	Anodyne	ADRA1A	45	37
COc1cccc(OC)c1CNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000852489972	GG	On-Demand	Anodyne	ADRA1A	45	37
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccccc1	ZINC000852489976	EE	On-Demand	Anodyne	ADRB1	27	44
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccccc1	ZINC000852489976	EE	On-Demand	Anodyne	ADRB3	49	44
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccccc1	ZINC000852489976	EE	On-Demand	Anodyne	KCNA3	35	44
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccccc1	ZINC000852489976	EE	On-Demand	Anodyne	SOAT1	31	46
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852489977	EE	On-Demand	Anodyne	ADRB1	27	44
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852489977	EE	On-Demand	Anodyne	ADRB3	49	44
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852489977	EE	On-Demand	Anodyne	KCNA3	35	44
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852489977	EE	On-Demand	Anodyne	SOAT1	31	46
COc1cccc(OC)c1CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000852489984	GI	On-Demand	Anodyne	HTR1A	17	41
COc1cccc(OC)c1CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000852489984	GI	On-Demand	Anodyne	DRD4	15	41
COc1cccc(OC)c1CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000852489984	GI	On-Demand	Anodyne	DRD3	20	41
COc1cccc(OC)c1CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000852489984	GI	On-Demand	Anodyne	GRIN2B	22	40
COc1cccc(OC)c1CNC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1	ZINC000852489984	GI	On-Demand	Anodyne	EPHX2	23	43
COc1ccc(CN(C)C(=O)NCc2c(OC)cccc2OC)cc1F	ZINC000852490002	FG	On-Demand	Anodyne	MT-ND1	22	41
COc1ccc(CN(C)C(=O)NCc2c(OC)cccc2OC)cc1F	ZINC000852490002	FG	On-Demand	Anodyne	HSD17B2	27	42
C#CCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490005	DF	On-Demand	Mild	HTR1A	32	47
C#CCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490005	DF	On-Demand	Mild	DRD2	19	47
C#CCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490005	DF	On-Demand	Mild	DRD4	25	41
C#CCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490005	DF	On-Demand	Mild	HTR2A	18	47
C#CCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490005	DF	On-Demand	Mild	DRD3	19	41
C#CCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490005	DF	On-Demand	Mild	HTR7	39	40
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cccc(F)c1	ZINC000852490009	EE	On-Demand	Anodyne	ADRB1	17	42
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000852490011	EE	On-Demand	Anodyne	ADRB1	17	42
O=C(CN1CCN(c2ccc(Br)cc2)CC1)NNC(=O)C1CC1	ZINC000852490013	GD	On-Demand	Reactive	MAPK1	18	43
COCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490016	FG	On-Demand	Anodyne	GPR119	42	46
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC2OCCO2)C1	ZINC000852490017	GF	On-Demand	Anodyne	GPR119	35	44
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H]2CCC[C@H]2O)cc1	ZINC000852490019	GG	On-Demand	Anodyne	GPR119	40	38
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2cnon2)C1	ZINC000852490020	GG	On-Demand	Anodyne	GPR119	39	41
COC[C@@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490024	GF	On-Demand	Anodyne	GPR119	36	45
Fc1cccc(CN2CCN(c3ccc(Br)cc3)CC2)n1	ZINC000852490025	FG	On-Demand	Anodyne	DRD4	43	46
O=C(NCc1ccc(-c2cccs2)cc1)N1CCC(F)(F)CC1	ZINC000852490026	EI	On-Demand	Anodyne	HDAC1	16	53
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2cnc[nH]2)C1	ZINC000852490028	FG	On-Demand	Anodyne	GPR119	46	42
COc1cccc(OC)c1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852490040	GE	On-Demand	Anodyne	ADRB2	32	42
COc1cccc(OC)c1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852490040	GE	On-Demand	Anodyne	ADRB1	54	40
COc1cccc(OC)c1CNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852490040	GE	On-Demand	Anodyne	PDS	62	44
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852490043	GE	On-Demand	Anodyne	ADRB2	32	42
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852490043	GE	On-Demand	Anodyne	ADRB1	54	40
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852490043	GE	On-Demand	Anodyne	PDS	62	44
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@@H](C)O)cc1	ZINC000852490047	FF	On-Demand	Anodyne	MMP13	18	44
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@@H](C)O)cc1	ZINC000852490047	FF	On-Demand	Anodyne	GPR119	42	42
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@H](C)O)cc1	ZINC000852490049	FF	On-Demand	Anodyne	MMP13	18	44
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@H](C)O)cc1	ZINC000852490049	FF	On-Demand	Anodyne	GPR119	42	42
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1	ZINC000852490065	EG	On-Demand	Anodyne	PDS	46	39
O=C(NCc1ccc2occc2c1)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490067	GG	On-Demand	Anodyne	F10	17	43
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1	ZINC000852490068	EG	On-Demand	Anodyne	PDS	46	39
O=C(NCc1ccc2occc2c1)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490070	GG	On-Demand	Anodyne	F10	17	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2ccno2)C1	ZINC000852490072	GH	On-Demand	Anodyne	GPR119	39	42
CNC(=O)CCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490073	GG	On-Demand	Anodyne	GPR119	32	42
CC[C@@H](C)CCNC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1	ZINC000852490078	EG	On-Demand	Anodyne	EPHX2	20	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2nc(O)n[nH]2)C1	ZINC000852490097	GF	On-Demand	Anodyne	GPR119	38	41
CC[C@@H](C)CCNC(=O)NNC(=O)[C@H](CC)c1ccccc1	ZINC000852490124	DF	On-Demand	Reactive	KCNQ2	40	40
CC[C@@H](C)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000852490133	FG	On-Demand	Clean	NPY2R	72	39
COCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852490134	GG	On-Demand	Anodyne	GPR119	39	45
CNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490149	FE	On-Demand	Anodyne	GPR119	43	45
O=C(NCc1ccc2occc2c1)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852490151	FG	On-Demand	Anodyne	NPSR1	23	40
O=C(NCc1ccc2occc2c1)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852490154	FG	On-Demand	Anodyne	NPSR1	23	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2cnsn2)C1	ZINC000852490156	GH	On-Demand	Anodyne	GPR119	42	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@@H]2COCCO2)C1	ZINC000852490163	GF	On-Demand	Anodyne	GPR119	25	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@H]2COCCO2)C1	ZINC000852490165	GF	On-Demand	Anodyne	GPR119	25	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCF)cc1	ZINC000852490168	FG	On-Demand	Anodyne	GPR119	41	39
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCF)cc1	ZINC000852490168	FG	On-Demand	Anodyne	NPBWR1	46	32
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	F2	18	47
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	ACE	31	43
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CELA1	19	42
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	GRIN2B	62	44
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	ELANE	28	40
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	KLK3	62	35
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CTSB	67	42
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	PAPA1_CARPA	65	33
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CYSP_TRYCR	45	37
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CTSK	48	42
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CTSL	47	41
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	PREP	25	42
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CAPNS1	64	38
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CTSS	34	41
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CAPN1	85	48
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	CAPN2	141	48
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	TGM2	39	46
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	TPSAB1	21	53
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	NPR	74	45
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	AMP1_PLAFQ	22	42
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	F13A1	25	46
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	PSMB5	45	37
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	BIRC2	19	41
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1	ZINC000852490171	GH	On-Demand	Anodyne	Q6PRC7_IXORI	58	38
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCF)cc1F	ZINC000852490172	FG	On-Demand	Anodyne	GPR119	39	43
CC(C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490174	FG	On-Demand	Anodyne	GPR119	45	46
CC[C@@H](C)CCNC(=O)NCC(=O)NCc1ccccc1	ZINC000852490192	CE	On-Demand	Anodyne	MME	32	47
CC[C@@H](C)CCNC(=O)NCC(=O)NCc1ccccc1	ZINC000852490192	CE	On-Demand	Anodyne	ANPEP	27	41
CC[C@@H](C)CCNC(=O)NCC(=O)NCc1ccccc1	ZINC000852490192	CE	On-Demand	Anodyne	FURIN	51	35
CC[C@@H](C)CCNC(=O)NCC(=O)NCc1ccccc1	ZINC000852490192	CE	On-Demand	Anodyne	AMP1_PLAFQ	42	39
CC[C@@H](C)CCNC(=O)NCC(=O)NCc1ccccc1	ZINC000852490192	CE	On-Demand	Anodyne	PDS	56	40
CC[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852490201	GG	On-Demand	Anodyne	GPR119	37	46
CC(=O)[C@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490202	GF	On-Demand	Anodyne	GPR119	39	44
CC(=O)[C@@](C)(O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490203	GF	On-Demand	Anodyne	GPR119	39	44
CC[C@@H](C)CCNC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000852490205	FH	On-Demand	Anodyne	CTSK	19	42
CC[C@@H](C)CCNC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1	ZINC000852490208	FH	On-Demand	Anodyne	CTSK	19	42
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(=O)N(C)C	ZINC000852490212	GF	On-Demand	Anodyne	GPR119	35	46
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1	ZINC000852490248	GH	On-Demand	Anodyne	DRD2	34	43
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1	ZINC000852490248	GH	On-Demand	Anodyne	ACKR3	60	31
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1	ZINC000852490249	GH	On-Demand	Anodyne	DRD2	34	43
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1	ZINC000852490249	GH	On-Demand	Anodyne	ACKR3	60	31
C#CCNC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490253	FD	On-Demand	Mild	HTR1A	38	42
C#CCNC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490253	FD	On-Demand	Mild	DRD2	24	42
C#CCNC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490253	FD	On-Demand	Mild	DRD4	43	36
C#CCNC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490253	FD	On-Demand	Mild	DRD3	34	42
C#CCNC(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490253	FD	On-Demand	Mild	HTR7	50	42
COc1cccc(OC)c1CNC(=O)N1CCc2c(F)cccc2C1	ZINC000852490256	EG	On-Demand	Anodyne	HTR1A	15	40
COc1cccc(OC)c1CNC(=O)N1CCc2c(F)cccc2C1	ZINC000852490256	EG	On-Demand	Anodyne	DRD4	42	32
COc1cccc(OC)c1CNC(=O)N1CCc2c(F)cccc2C1	ZINC000852490256	EG	On-Demand	Anodyne	SSTR1	40	37
COc1cccc(OC)c1CNC(=O)NCCNc1ncccc1C#N	ZINC000852490270	FD	On-Demand	Mild	ADRB1	45	34
COc1cccc(OC)c1CNC(=O)N1CCc2c(C)cccc2C1	ZINC000852490271	EG	On-Demand	Anodyne	HTR1A	15	41
COc1cccc(OC)c1CNC(=O)N1CCc2c(C)cccc2C1	ZINC000852490271	EG	On-Demand	Anodyne	DRD4	40	31
COc1cccc(OC)c1CNC(=O)N1CCc2c(C)cccc2C1	ZINC000852490271	EG	On-Demand	Anodyne	SSTR1	40	35
CC(=O)N[C@@H](C)C(=O)OCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852490273	IF	On-Demand	Anodyne	KCNK3	121	43
CC(=O)N[C@@H](C)C(=O)OCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852490273	IF	On-Demand	Anodyne	KCNK9	83	40
CC(=O)N[C@@H](C)C(=O)OCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852490274	IF	On-Demand	Anodyne	KCNK3	121	43
CC(=O)N[C@@H](C)C(=O)OCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1	ZINC000852490274	IF	On-Demand	Anodyne	KCNK9	83	40
COc1cc(C)nc(NNC(=O)NCc2c(OC)cccc2OC)n1	ZINC000852490281	ED	On-Demand	Reactive	ALS	86	39
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C3CCCCC3)C2)c1	ZINC000852490284	FE	On-Demand	Reactive	CCR3	18	40
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H](C3CCCCC3)C2)c1	ZINC000852490284	FE	On-Demand	Reactive	MCHR1	39	41
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](C3CCCCC3)C2)c1	ZINC000852490285	FE	On-Demand	Reactive	CCR3	18	40
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@H](C3CCCCC3)C2)c1	ZINC000852490285	FE	On-Demand	Reactive	MCHR1	39	41
CON(C)C(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490297	FD	On-Demand	Anodyne	HTR1A	34	43
CON(C)C(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490297	FD	On-Demand	Anodyne	DRD2	20	40
CON(C)C(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490297	FD	On-Demand	Anodyne	DRD4	27	40
CON(C)C(=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490297	FD	On-Demand	Anodyne	DRD3	24	43
CS(=O)(=O)c1ccc([C@@H](O)CN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852490321	FG	On-Demand	Anodyne	CCR5	25	42
CC[C@@H](C)CCNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000852490322	EG	On-Demand	Anodyne	ADRA1A	40	38
CC[C@@H](C)CCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000852490323	EG	On-Demand	Anodyne	ADRA1A	40	38
CS(=O)(=O)c1ccc([C@H](O)CN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852490324	FG	On-Demand	Anodyne	CCR5	25	42
CS(=O)(=O)c1ccc([C@@H](O)CN2CC[C@@H](C3CCCCC3)C2)cc1	ZINC000852490326	FG	On-Demand	Anodyne	CCR5	25	42
CC[C@@H](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490327	EF	On-Demand	Anodyne	ACE	62	43
CC[C@@H](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490327	EF	On-Demand	Anodyne	MME	33	43
CC[C@@H](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490327	EF	On-Demand	Anodyne	XIAP	51	38
CC[C@@H](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490327	EF	On-Demand	Anodyne	BIRC2	72	40
CC[C@@H](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490327	EF	On-Demand	Anodyne	BIRC8	46	32
CC[C@@H](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490327	EF	On-Demand	Anodyne	SAP2	41	37
CS(=O)(=O)c1ccc([C@H](O)CN2CC[C@H](C3CCCCC3)C2)cc1	ZINC000852490328	FG	On-Demand	Anodyne	CCR5	25	42
CC[C@@H](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490331	EF	On-Demand	Anodyne	ACE	62	43
CC[C@@H](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490331	EF	On-Demand	Anodyne	MME	33	43
CC[C@@H](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490331	EF	On-Demand	Anodyne	XIAP	51	38
CC[C@@H](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490331	EF	On-Demand	Anodyne	BIRC2	72	40
CC[C@@H](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490331	EF	On-Demand	Anodyne	BIRC8	46	32
CC[C@@H](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O	ZINC000852490331	EF	On-Demand	Anodyne	SAP2	41	37
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1	ZINC000852490346	GG	On-Demand	Anodyne	ADRB2	28	41
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1	ZINC000852490346	GG	On-Demand	Anodyne	ADRB3	46	38
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cccc(OC(C)C)c1	ZINC000852490349	GG	On-Demand	Anodyne	ADRB2	28	41
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1cccc(OC(C)C)c1	ZINC000852490349	GG	On-Demand	Anodyne	ADRB3	46	38
N#Cc1ccc(-c2cc(N3CCN(CCN4CCCC4)CC3)n[nH]2)cc1	ZINC000852490360	FE	On-Demand	Mild	HRH3	18	46
CC[C@@H](C)CCNC(=O)NNC(=O)CCc1ccccc1	ZINC000852490405	CE	On-Demand	Reactive	MME	33	40
CC[C@@H](C)CCNC(=O)NNC(=O)CCc1ccccc1	ZINC000852490405	CE	On-Demand	Reactive	BRS3	22	40
CC[C@@H](C)CCNC(=O)NNC(=O)CCc1ccccc1	ZINC000852490405	CE	On-Demand	Reactive	MMP3	29	41
CC[C@@H](C)CCNC(=O)NNC(=O)CCc1ccccc1	ZINC000852490405	CE	On-Demand	Reactive	CASP1	17	41
CC[C@@H](C)CCNC(=O)NNC(=O)CCc1ccccc1	ZINC000852490405	CE	On-Demand	Reactive	CAPN2	52	36
Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(-c3cccs3)cc2)no1	ZINC000852490409	FJ	On-Demand	Anodyne	CPT1A	55	38
C[C@@H](O)CCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490418	GH	On-Demand	Anodyne	GPR119	43	46
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC[C@@H](C)O)cc1	ZINC000852490422	GG	On-Demand	Anodyne	GPR119	33	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC[C@H](C)O)cc1	ZINC000852490426	GG	On-Demand	Anodyne	GPR119	33	40
CC[C@@H](C)CCNC(=O)N(C)CCNC(=O)OC(C)(C)C	ZINC000852490439	DF	On-Demand	Anodyne	CTSK	17	42
Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)no1	ZINC000852490443	GI	On-Demand	Anodyne	GPR119	39	43
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@@H](C)CO)cc1F	ZINC000852490445	GG	On-Demand	Anodyne	GPR119	36	45
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@H](C)CO)cc1F	ZINC000852490446	GG	On-Demand	Anodyne	GPR119	36	45
CC(=O)NCCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490447	GG	On-Demand	Anodyne	GPR119	35	44
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2ccon2)C1	ZINC000852490449	GH	On-Demand	Anodyne	GPR119	36	41
Cc1oncc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490454	GI	On-Demand	Anodyne	GPR119	44	45
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC[C@@H](C)O)cc1F	ZINC000852490456	GG	On-Demand	Anodyne	GPR119	35	45
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC[C@H](C)O)cc1F	ZINC000852490457	GG	On-Demand	Anodyne	GPR119	35	45
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCF)C1	ZINC000852490458	EG	On-Demand	Anodyne	GPR119	45	46
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@H](C)C(N)=O)cc1F	ZINC000852490468	GE	On-Demand	Anodyne	GPR119	36	45
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H](C)C(N)=O)cc1F	ZINC000852490469	GE	On-Demand	Anodyne	GPR119	36	45
CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852490475	EG	On-Demand	Anodyne	MMP13	20	46
CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852490475	EG	On-Demand	Anodyne	MMP3	16	46
CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852490475	EG	On-Demand	Anodyne	MMP1	16	46
CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852490475	EG	On-Demand	Anodyne	GPR119	45	41
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCCF)cc1	ZINC000852490480	FH	On-Demand	Anodyne	GPR119	36	40
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCc2cn[nH]c2)C1	ZINC000852490486	GG	On-Demand	Anodyne	GPR119	42	41
Cn1cnnc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490488	GF	On-Demand	Anodyne	GPR119	42	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC(=O)NCC#N)C1	ZINC000852490493	GE	On-Demand	Mild	GPR119	39	44
O=C(NCc1ccc2occc2c1)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000852490495	FF	On-Demand	Anodyne	MCHR1	16	44
O=C(NCc1ccc2occc2c1)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000852490496	FF	On-Demand	Anodyne	MCHR1	16	44
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCO)cc1	ZINC000852490502	FF	On-Demand	Anodyne	GPR119	44	39
O=C(NC[C@H]1CCCO1)NNc1ccncn1	ZINC000852490508	BC	On-Demand	Reactive	PDE8B	15	40
O=C(NCc1ccc2occc2c1)N1CC[C@H](c2ccccn2)C1	ZINC000852490511	DH	On-Demand	Anodyne	NOS2	48	36
O=C(NCc1ccc2occc2c1)N1CC[C@@H](c2ccccn2)C1	ZINC000852490512	DH	On-Demand	Anodyne	NOS2	48	36
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCC2OCCO2)C1	ZINC000852490519	GG	On-Demand	Anodyne	GPR119	35	42
O[C@H](CN1CC[C@H](C2CCCCC2)C1)c1cccnc1	ZINC000852490526	CG	On-Demand	Anodyne	ADRB3	33	42
O[C@H](CN1CC[C@@H](C2CCCCC2)C1)c1cccnc1	ZINC000852490527	CG	On-Demand	Anodyne	ADRB3	33	42
O[C@@H](CN1CC[C@H](C2CCCCC2)C1)c1cccnc1	ZINC000852490528	CG	On-Demand	Anodyne	ADRB3	33	42
O[C@@H](CN1CC[C@@H](C2CCCCC2)C1)c1cccnc1	ZINC000852490529	CG	On-Demand	Anodyne	ADRB3	33	42
Cn1ncc(CN2CCN(c3ccc(Br)cc3)CC2)n1	ZINC000852490538	ED	On-Demand	Anodyne	DRD4	32	42
COc1cccc(OC)c1CNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000852490539	GF	On-Demand	Reactive	EPHX2	54	45
O=C(COc1cccc(I)c1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000852490543	HG	On-Demand	Bother	TAAR1	24	48
CC[C@@H](C(=O)NNC(=O)NCc1c(OC)cccc1OC)c1ccccc1	ZINC000852490546	FF	On-Demand	Reactive	SOAT1	23	41
COc1cccc(OC)c1CNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852490550	GG	On-Demand	Anodyne	EPHX2	23	44
COc1cccc(OC)c1CNC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852490551	GG	On-Demand	Anodyne	EPHX2	23	44
O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)N1CCc2cc(Cl)nnc2C1	ZINC000852490577	GG	On-Demand	Anodyne	MAPK1	41	36
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)N1CCc2cc(Cl)nnc2C1	ZINC000852490578	GG	On-Demand	Anodyne	MAPK1	41	36
CC[C@@H](C)CCNC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852490580	CG	On-Demand	Anodyne	EPHX2	18	52
CC[C@@H](C)CCNC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852490580	CG	On-Demand	Anodyne	PDE7A	21	41
CC[C@@H](C)CCNC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852490582	CG	On-Demand	Anodyne	EPHX2	18	52
CC[C@@H](C)CCNC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852490582	CG	On-Demand	Anodyne	PDE7A	21	41
O[C@@H](CN1CCN(c2ccc(Br)cc2)CC1)c1ccc(F)cn1	ZINC000852490599	GF	On-Demand	Anodyne	SLC27A1	48	31
O[C@H](CN1CCN(c2ccc(Br)cc2)CC1)c1ccc(F)cn1	ZINC000852490601	GF	On-Demand	Anodyne	SLC27A1	48	31
N#Cc1ccc(-c2cc(N3CCN(Cc4cccc(Cl)n4)CC3)n[nH]2)cc1	ZINC000852490615	GG	On-Demand	Mild	DRD4	17	42
COc1cccc(OC)c1CNC(=O)NCc1ccc2c(c1)CCCN2C	ZINC000852490616	FG	On-Demand	Clean	DRD4	43	33
COc1cccc(OC)c1CNC(=O)NCc1ccc2c(c1)CCCN2C	ZINC000852490616	FG	On-Demand	Clean	DRD3	43	38
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852490632	GI	On-Demand	Anodyne	FKBP1A	55	36
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852490632	GI	On-Demand	Anodyne	ADRA1D	42	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852490632	GI	On-Demand	Anodyne	ADRA1A	60	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852490632	GI	On-Demand	Anodyne	ADRA1B	45	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852490632	GI	On-Demand	Anodyne	GYS1	20	40
COc1cccc(OC)c1CNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852490632	GI	On-Demand	Anodyne	ACKR3	62	31
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852490633	GI	On-Demand	Anodyne	FKBP1A	55	36
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852490633	GI	On-Demand	Anodyne	ADRA1D	42	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852490633	GI	On-Demand	Anodyne	ADRA1A	60	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852490633	GI	On-Demand	Anodyne	ADRA1B	45	42
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852490633	GI	On-Demand	Anodyne	GYS1	20	40
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852490633	GI	On-Demand	Anodyne	ACKR3	62	31
CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852490634	ED	On-Demand	Anodyne	KCNK3	98	37
CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852490634	ED	On-Demand	Anodyne	KCNK9	72	37
CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852490635	ED	On-Demand	Anodyne	KCNK3	98	37
CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852490635	ED	On-Demand	Anodyne	KCNK9	72	37
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](C3CCCCC3)C2)c1	ZINC000852490636	FF	On-Demand	Anodyne	CCR3	30	46
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](C3CCCCC3)C2)c1	ZINC000852490636	FF	On-Demand	Anodyne	EPHX2	18	40
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](C3CCCCC3)C2)c1	ZINC000852490637	FF	On-Demand	Anodyne	CCR3	30	46
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](C3CCCCC3)C2)c1	ZINC000852490637	FF	On-Demand	Anodyne	EPHX2	18	40
CC(C)(C)OC(=O)[C@]1(NCc2cccnc2Cl)CCOC1	ZINC000852490638	DE	On-Demand	Anodyne	G2YM83_BOTF4	59	34
CCOC(=O)N(C)C1CCN(C(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852490641	GE	On-Demand	Anodyne	MBTPS1	48	31
O[C@@H](CN1CCN(c2ccc(Br)cc2)CC1)C1CC1	ZINC000852490660	EE	On-Demand	Anodyne	SLC18A3	15	41
O[C@H](CN1CCN(c2ccc(Br)cc2)CC1)C1CC1	ZINC000852490661	EE	On-Demand	Anodyne	SLC18A3	15	41
CC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000852490671	ED	On-Demand	Anodyne	SSTR2	47	36
CC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000852490671	ED	On-Demand	Anodyne	SSTR4	56	36
CC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000852490671	ED	On-Demand	Anodyne	SSTR5	41	36
O=C(CCN1CCN(c2ccc(Br)cc2)CC1)N1CCCC1	ZINC000852490677	FF	On-Demand	Anodyne	HTR1A	32	47
C[C@H](C#N)OCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490691	EE	On-Demand	Mild	SLC6A3	16	40
COCCCCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490693	GH	On-Demand	Anodyne	GPR119	35	44
C[C@@H](C#N)OCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490694	EE	On-Demand	Mild	SLC6A3	16	40
Cc1cc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)on1	ZINC000852490697	GI	On-Demand	Anodyne	GPR119	35	42
O=C(NCc1ccc2occc2c1)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852490700	GI	On-Demand	Anodyne	EPHX2	18	46
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852490707	CE	On-Demand	Anodyne	MTNR1A	48	46
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(OC)c1	ZINC000852490707	CE	On-Demand	Anodyne	MTNR1B	47	46
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852490708	CE	On-Demand	Anodyne	MTNR1A	48	46
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(OC)c1	ZINC000852490708	CE	On-Demand	Anodyne	MTNR1B	47	46
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCC#N)C1	ZINC000852490712	EG	On-Demand	Mild	GPR119	37	43
CC[C@@H](C)CCNC(=O)N1CCc2cc(Cl)nnc2C1	ZINC000852490716	CF	On-Demand	Anodyne	MAPK1	52	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCCC#N)C1	ZINC000852490719	FH	On-Demand	Mild	GPR119	36	44
O=C(CN1CCN(c2ccc(Br)cc2)CC1)Nc1ccc(O)cc1	ZINC000852490726	GF	On-Demand	Anodyne	PRNP	44	44
O=C(CN1CCN(c2ccc(Br)cc2)CC1)Nc1ccc(O)cc1	ZINC000852490726	GF	On-Demand	Anodyne	MAPK1	21	45
O=C(CN1CCN(c2ccc(Br)cc2)CC1)Nc1ccc(O)cc1	ZINC000852490726	GF	On-Demand	Anodyne	SLC27A1	46	44
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@@H](C)O)cc1F	ZINC000852490728	GF	On-Demand	Anodyne	GPR119	42	47
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@H](C)O)cc1F	ZINC000852490730	GF	On-Demand	Anodyne	GPR119	42	47
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCC#N)cc1F	ZINC000852490732	GG	On-Demand	Mild	GPR119	35	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852490735	GF	On-Demand	Anodyne	EPHX2	29	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC(=O)NC2CC2)C1	ZINC000852490735	GF	On-Demand	Anodyne	GPR119	43	44
COc1cccc(OC)c1CNC(=O)NNc1ccc(C)cn1	ZINC000852490736	DE	On-Demand	Reactive	LUCI_LUCLA	17	44
O=C(NCc1ccc2occc2c1)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852490748	FH	On-Demand	Anodyne	PRSS2	46	33
O=C(NCc1ccc2occc2c1)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852490748	FH	On-Demand	Anodyne	EPHX2	17	44
CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCc2ccc3occc3c2)C1	ZINC000852490749	GH	On-Demand	Anodyne	CACNA1I	47	34
CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)NCc2ccc3occc3c2)C1	ZINC000852490752	GH	On-Demand	Anodyne	CACNA1I	47	34
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2ncccn2)cc1	ZINC000852490753	GG	On-Demand	Anodyne	GRIN2B	16	43
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2ncccn2)cc1	ZINC000852490753	GG	On-Demand	Anodyne	GPR119	48	43
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2ncccn2)cc1	ZINC000852490753	GG	On-Demand	Anodyne	NPBWR1	53	33
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](N[C@H]2CCCNC2=O)C1	ZINC000852490756	GF	On-Demand	Anodyne	GPR119	28	41
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	ZINC000852490757	EH	On-Demand	Reactive	ALPL	41	36
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](N[C@@H]2CCCNC2=O)C1	ZINC000852490758	GF	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@H]2CCC(=O)O2)C1	ZINC000852490761	GG	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@@H]2CCC(=O)O2)C1	ZINC000852490763	GG	On-Demand	Anodyne	GPR119	28	41
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@H]2CC[C@H](C#N)C2)cc1	ZINC000852490780	GI	On-Demand	Mild	GPR119	32	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@H]2CC[C@@H](C#N)C2)cc1	ZINC000852490781	GI	On-Demand	Mild	GPR119	32	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H]2CC[C@@H](C#N)C2)cc1	ZINC000852490782	GI	On-Demand	Mild	GPR119	32	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H]2CC[C@H](C#N)C2)cc1	ZINC000852490783	GI	On-Demand	Mild	GPR119	32	40
C[S@@](=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490784	GF	On-Demand	Anodyne	GPR119	35	43
C[S@](=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852490785	GF	On-Demand	Anodyne	GPR119	35	43
COC[C@@H](CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)OC	ZINC000852490790	GG	On-Demand	Anodyne	GPR119	31	44
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2csnn2)C1	ZINC000852490792	GH	On-Demand	Anodyne	GPR119	34	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCc2cnn[nH]2)C1	ZINC000852490797	GF	On-Demand	Anodyne	GPR119	37	43
O=C(NCc1ccc(-c2cccs2)cc1)N1CCN2C(=O)OCC[C@H]2C1	ZINC000852490800	FG	On-Demand	Anodyne	NPSR1	29	44
O=C(NCc1ccc(-c2cccs2)cc1)N1CCN2C(=O)OCC[C@@H]2C1	ZINC000852490801	FG	On-Demand	Anodyne	NPSR1	29	44
C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc3occc3c2)C1	ZINC000852490810	GH	On-Demand	Anodyne	FPR1	42	34
N#Cc1ccc(-c2cc(N3CCN(Cc4ccc5c(c4)COC5)CC3)n[nH]2)cc1	ZINC000852490836	GG	On-Demand	Mild	CDK7	18	40
Brc1ccc(N2CCN(Cc3cnsn3)CC2)cc1	ZINC000852490841	EF	On-Demand	Anodyne	DRD4	28	43
CC[C@@H](C)CCNC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852490849	DF	On-Demand	Anodyne	PRKCQ	40	30
O=C(CN1CC[C@H](C2CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852490853	FG	On-Demand	Anodyne	PIK3CA	43	38
O=C(CN1CC[C@H](C2CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852490853	FG	On-Demand	Anodyne	MTOR	86	37
O=C(CN1CC[C@H](C2CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852490853	FG	On-Demand	Anodyne	EPHX2	24	44
O=C(CN1CC[C@H](C2CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852490853	FG	On-Demand	Anodyne	STAT6	52	32
O=C(CN1CC[C@@H](C2CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852490854	FG	On-Demand	Anodyne	PIK3CA	43	38
O=C(CN1CC[C@@H](C2CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852490854	FG	On-Demand	Anodyne	MTOR	86	37
O=C(CN1CC[C@@H](C2CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852490854	FG	On-Demand	Anodyne	EPHX2	24	44
O=C(CN1CC[C@@H](C2CCCCC2)C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852490854	FG	On-Demand	Anodyne	STAT6	52	32
Cc1cc(O)nc(CN2CCN(c3ccc(Br)cc3)CC2)n1	ZINC000852490863	FF	On-Demand	Anodyne	DRD4	30	43
COc1cccc(OC)c1CNC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852490874	GF	On-Demand	Anodyne	DRD2	15	41
COc1cccc(OC)c1CNC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852490874	GF	On-Demand	Anodyne	GPR119	34	41
COc1cccc([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852490882	FE	On-Demand	Anodyne	ADRB2	28	41
COc1cccc([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852490882	FE	On-Demand	Anodyne	ADRB1	28	40
COc1cccc([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852490882	FE	On-Demand	Anodyne	ADRB3	40	40
COc1cccc([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852490882	FE	On-Demand	Anodyne	MTNR1A	48	42
COc1cccc([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852490882	FE	On-Demand	Anodyne	MTNR1B	51	42
COc1cccc([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852490882	FE	On-Demand	Anodyne	ROCK2	27	41
COc1ccc(N2CCCN(C(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490888	GG	On-Demand	Clean	HTR1A	36	44
COc1ccc(N2CCCN(C(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490888	GG	On-Demand	Clean	DRD4	47	39
COc1ccc(N2CCCN(C(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490888	GG	On-Demand	Clean	HTR1B	15	44
COc1ccc(N2CCCN(C(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490888	GG	On-Demand	Clean	DRD3	42	37
COc1ccc(N2CCCN(C(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490888	GG	On-Demand	Clean	SSTR1	50	41
O=C(CN1CC[C@H](C2CCCCC2)C1)NNC(=O)c1cccs1	ZINC000852490892	EE	On-Demand	Reactive	NOS1	32	40
O=C(CN1CC[C@@H](C2CCCCC2)C1)NNC(=O)c1cccs1	ZINC000852490894	EE	On-Demand	Reactive	NOS1	32	40
O=C(CN1CC[C@H](C2CCCCC2)C1)Nc1ccc(O)cc1	ZINC000852490904	DG	On-Demand	Anodyne	MAPK1	19	41
O=C(CN1CC[C@@H](C2CCCCC2)C1)Nc1ccc(O)cc1	ZINC000852490906	DG	On-Demand	Anodyne	MAPK1	19	41
COc1cccc(OC)c1CNC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852490908	GF	On-Demand	Anodyne	EPHX2	47	42
COc1cccc(OC)c1CNC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852490908	GF	On-Demand	Anodyne	GPR119	36	43
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	MME	83	40
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	ANPEP	64	34
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	CTSB	45	38
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	PAPA1_CARPA	67	37
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	NPFFR2	48	35
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	CAPNS1	59	37
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	HLA-DRB1	67	39
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	CAPN1	61	37
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	CAPN2	90	37
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	ACE2	51	38
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	PLAU	46	33
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	FPR1	31	40
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	CTRB_BOVIN	53	31
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	NPR	51	40
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	F2RL1	41	32
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	NPFFR1	67	35
CC[C@@H](C)CCNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852490910	DF	On-Demand	Anodyne	PDS	44	33
N#CCOc1ccc(CN2CCN(c3ccc(Br)cc3)CC2)cc1	ZINC000852490911	GH	On-Demand	Mild	DRD4	31	42
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	MME	83	40
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	ANPEP	64	34
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	CTSB	45	38
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	PAPA1_CARPA	67	37
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	NPFFR2	48	35
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	CAPNS1	59	37
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	HLA-DRB1	67	39
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	CAPN1	61	37
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	CAPN2	90	37
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	ACE2	51	38
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	PLAU	46	33
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	FPR1	31	40
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	CTRB_BOVIN	53	31
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	NPR	51	40
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	F2RL1	41	32
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	NPFFR1	67	35
CC[C@@H](C)CCNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852490912	DF	On-Demand	Anodyne	PDS	44	33
COc1cccc(OC)c1CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000852490918	GF	On-Demand	Anodyne	GPR119	33	40
COc1cccc(OC)c1CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000852490920	GF	On-Demand	Anodyne	GPR119	33	40
CC[C@@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852490925	CG	On-Demand	Clean	THRA	45	35
CC[C@@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852490925	CG	On-Demand	Clean	THRB	52	35
CC[C@@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852490925	CG	On-Demand	Clean	MTNR1A	50	41
CC[C@@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	ZINC000852490925	CG	On-Demand	Clean	MTNR1B	40	41
CC[C@@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852490928	CG	On-Demand	Clean	THRA	45	35
CC[C@@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852490928	CG	On-Demand	Clean	THRB	52	35
CC[C@@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852490928	CG	On-Demand	Clean	MTNR1A	50	41
CC[C@@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O	ZINC000852490928	CG	On-Demand	Clean	MTNR1B	40	41
N#Cc1ccc(-c2cc(N3CCN(Cc4ccc(F)cn4)CC3)n[nH]2)cc1	ZINC000852490930	FF	On-Demand	Mild	DRD4	17	40
COc1cccc(OC)c1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852490934	FE	On-Demand	Anodyne	CAPN2	53	32
COc1cccc(OC)c1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852490934	FE	On-Demand	Anodyne	NPR	49	32
COc1cccc(OC)c1CNC(=O)NCC(=O)OCc1ccccc1	ZINC000852490934	FE	On-Demand	Anodyne	SLC12A5	48	35
N#Cc1ccc(-c2cc(N3CCN(Cc4cccnc4Cl)CC3)n[nH]2)cc1	ZINC000852490946	GG	On-Demand	Mild	DRD4	27	42
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	HTR1A	66	50
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	DRD2	58	46
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	DRD1	16	40
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	DRD4	37	48
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	ADRA1D	32	46
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	HTR2A	54	46
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	HTR2C	36	46
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	SLC6A4	18	46
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	ADRA1A	37	46
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	ADRA1B	22	46
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	DRD3	85	50
O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)C(F)(F)F	ZINC000852490947	GF	On-Demand	Anodyne	HTR7	66	43
NC(=O)c1ccccc1NC(=O)CN1CC[C@H](C2CCCCC2)C1	ZINC000852490954	EF	On-Demand	Anodyne	PARP1	18	41
NC(=O)c1ccccc1NC(=O)CN1CC[C@@H](C2CCCCC2)C1	ZINC000852490955	EF	On-Demand	Anodyne	PARP1	18	41
C[C@@](O)(CN1CC[C@@H](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1	ZINC000852490971	FG	On-Demand	Anodyne	GPR119	15	41
C[S@@](=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490978	ED	On-Demand	Anodyne	HTR1A	27	41
C[S@@](=O)CCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852490978	ED	On-Demand	Anodyne	DRD4	27	40
COc1cccc(OC)c1CNC(=O)NCc1ccc(C)c(F)c1	ZINC000852490982	EG	On-Demand	Anodyne	TRPV1	25	42
COc1cccc(OC)c1CNC(=O)NCc1ccc(C)c(F)c1	ZINC000852490982	EG	On-Demand	Anodyne	CCR4	19	41
COc1cccc(OC)c1CNC(=O)NCc1ccc(C)c(F)c1	ZINC000852490982	EG	On-Demand	Anodyne	ROCK2	22	44
COc1cccc(OC)c1CNC(=O)NCc1ccc(C)c(F)c1	ZINC000852490982	EG	On-Demand	Anodyne	LEF	55	33
O=C(CN1CC[C@H](C2CCCCC2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852490984	EG	On-Demand	Anodyne	TERT	18	43
O=C(CN1CC[C@H](C2CCCCC2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852490984	EG	On-Demand	Anodyne	MCHR1	17	43
O=C(CN1CC[C@@H](C2CCCCC2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852490986	EG	On-Demand	Anodyne	TERT	18	43
O=C(CN1CC[C@@H](C2CCCCC2)C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852490986	EG	On-Demand	Anodyne	MCHR1	17	43
CC[C@@H](C)CCNC(=O)N1CCOc2ccc(OC)cc2C1	ZINC000852490990	DG	On-Demand	Anodyne	BMP1	69	40
CC[C@@H](C)CCNC(=O)N1CCOc2ccc(OC)cc2C1	ZINC000852490990	DG	On-Demand	Anodyne	MTNR1A	43	42
COc1ccc(N2CCC(NC(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490993	GG	On-Demand	Clean	HTR1A	27	40
COc1ccc(N2CCC(NC(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490993	GG	On-Demand	Clean	DRD2	27	41
COc1ccc(N2CCC(NC(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490993	GG	On-Demand	Clean	DRD4	44	37
COc1ccc(N2CCC(NC(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490993	GG	On-Demand	Clean	MTNR1A	35	43
COc1ccc(N2CCC(NC(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490993	GG	On-Demand	Clean	MTNR1B	34	43
COc1ccc(N2CCC(NC(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490993	GG	On-Demand	Clean	EPHX2	39	45
COc1ccc(N2CCC(NC(=O)NCc3c(OC)cccc3OC)CC2)cc1	ZINC000852490993	GG	On-Demand	Clean	MCHR1	20	47
COc1ccc(OC)c([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852491003	GE	On-Demand	Anodyne	MTNR1A	61	52
COc1ccc(OC)c([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852491003	GE	On-Demand	Anodyne	MTNR1B	60	42
COc1ccc(OC)c([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852491003	GE	On-Demand	Anodyne	ROCK2	16	40
COc1ccc(OC)c([C@H](O)CNC(=O)NCc2c(OC)cccc2OC)c1	ZINC000852491003	GE	On-Demand	Anodyne	SOAT1	21	40
Fc1ccc(CN2CCN(c3ccc(Br)cc3)CC2)nc1	ZINC000852491012	FG	On-Demand	Anodyne	DRD4	40	46
Fc1ccc(CN2CCN(c3ccc(Br)cc3)CC2)nc1	ZINC000852491012	FG	On-Demand	Anodyne	SLC27A1	49	33
COc1cccc(OC)c1CNC(=O)NCC(=O)NCc1ccccc1	ZINC000852491015	FD	On-Demand	Anodyne	ROCK2	17	44
COc1cccc(OC)c1CNC(=O)NCC(=O)NCc1ccccc1	ZINC000852491015	FD	On-Demand	Anodyne	TPSAB1	15	40
COc1cccc(OC)c1CNC(=O)NCC(=O)NCc1ccccc1	ZINC000852491015	FD	On-Demand	Anodyne	PDS	54	37
O=C(CN1CC[C@H](C2CCCCC2)C1)NNC(=O)c1ccccc1	ZINC000852491019	EE	On-Demand	Reactive	DRD4	24	40
O=C(CN1CC[C@H](C2CCCCC2)C1)NNC(=O)c1ccccc1	ZINC000852491019	EE	On-Demand	Reactive	KCNK3	26	41
O=C(CN1CC[C@@H](C2CCCCC2)C1)NNC(=O)c1ccccc1	ZINC000852491020	EE	On-Demand	Reactive	DRD4	24	40
O=C(CN1CC[C@@H](C2CCCCC2)C1)NNC(=O)c1ccccc1	ZINC000852491020	EE	On-Demand	Reactive	KCNK3	26	41
CNC(=O)CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852491028	GF	On-Demand	Anodyne	GPR119	36	44
CNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)cc1	ZINC000852491031	GE	On-Demand	Anodyne	GPR119	42	38
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCCO)C1	ZINC000852491035	FF	On-Demand	Anodyne	GPR119	39	44
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCn2cncn2)C1	ZINC000852491036	GF	On-Demand	Anodyne	GPR119	36	40
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC(N)=O)cc1F	ZINC000852491037	GE	On-Demand	Anodyne	GPR119	37	43
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCC(C)(C)O)cc1F	ZINC000852491038	GG	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCc2cnns2)C1	ZINC000852491044	GH	On-Demand	Anodyne	GPR119	42	41
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@@H]2CCC(=O)N2)C1	ZINC000852491045	GF	On-Demand	Anodyne	GPR119	36	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCOCCO)C1	ZINC000852491055	GF	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@H]2CNC(=O)C2)C1	ZINC000852491064	GF	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NC[C@@H]2CNC(=O)C2)C1	ZINC000852491065	GF	On-Demand	Anodyne	GPR119	33	42
CC[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(N)=O	ZINC000852491066	GF	On-Demand	Anodyne	GPR119	38	47
CC[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(N)=O	ZINC000852491067	GF	On-Demand	Anodyne	GPR119	38	47
C#CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852491068	GE	On-Demand	Mild	GPR119	39	44
COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCCO)cc1F	ZINC000852491074	FF	On-Demand	Anodyne	GPR119	39	43
CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCCCCO)C1	ZINC000852491075	FG	On-Demand	Anodyne	GPR119	37	44
CC1(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(F)cc2)COC1	ZINC000852491082	GH	On-Demand	Anodyne	GPR119	35	42
CNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(OC)c(F)c1	ZINC000852491083	GE	On-Demand	Anodyne	GPR119	37	43
COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccc3occc3c2)c1	ZINC000852491090	FF	On-Demand	Anodyne	MTNR1A	26	42
O=C(NCc1ccc2occc2c1)NC1CCC(N2CCCCC2)CC1	ZINC000852491110	FI	On-Demand	Anodyne	L3MBTL3	61	36
C[C@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1)C(N)=O	ZINC000852491117	FE	On-Demand	Anodyne	GPR119	39	47
CCOC[C@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852491142	GF	On-Demand	Anodyne	GPR119	32	45
CCNC(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852491153	GF	On-Demand	Anodyne	GPR119	42	48
O=C(NCc1ccc2occc2c1)NC1CCC(O)(c2cccnc2)CC1	ZINC000852491157	FG	On-Demand	Anodyne	NAMPT	51	37
C[C@H](CO)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852491159	FG	On-Demand	Anodyne	GPR119	39	48
C[C@@H](CO)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852491161	FG	On-Demand	Anodyne	GPR119	39	48
CCN(C)C(=O)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(F)cc1	ZINC000852491169	GF	On-Demand	Anodyne	GPR119	34	44
Cn1ccnc1[C@H]1CCCN(C(=O)NCc2ccc3occc3c2)C1	ZINC000852491176	EG	On-Demand	Anodyne	NOS2	57	33
Cn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccc3occc3c2)C1	ZINC000852491179	EG	On-Demand	Anodyne	NOS2	57	33
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@@H](C)O)cc1	ZINC000852491183	GG	On-Demand	Anodyne	MMP13	16	48
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@@H](C)O)cc1	ZINC000852491183	GG	On-Demand	Anodyne	GPR119	50	43
FCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491184	CF	On-Demand	Anodyne	HTR1A	29	46
FCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491184	CF	On-Demand	Anodyne	DRD2	17	46
FCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491184	CF	On-Demand	Anodyne	DRD4	37	40
FCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491184	CF	On-Demand	Anodyne	HTR2A	17	46
FCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491184	CF	On-Demand	Anodyne	DRD3	19	40
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@H](C)O)cc1	ZINC000852491187	GG	On-Demand	Anodyne	MMP13	16	48
CCOc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC[C@H](C)O)cc1	ZINC000852491187	GG	On-Demand	Anodyne	GPR119	50	43
COc1cccc(OC)c1CNC(=O)N1CCC2(CCCC2)CC1	ZINC000852491192	EH	On-Demand	Anodyne	HCN1	60	42
COc1cccc(OC)c1CNC(=O)N1CCC2(CCCC2)CC1	ZINC000852491192	EH	On-Demand	Anodyne	HCN4	50	38
COc1cccc(OC)c1CNC(=O)N1CCCN(c2ccc(C)cc2)CC1	ZINC000852491211	GG	On-Demand	Anodyne	HTR1A	27	43
COc1cccc(OC)c1CNC(=O)N1CCCN(c2ccc(C)cc2)CC1	ZINC000852491211	GG	On-Demand	Anodyne	DRD2	22	41
COc1cccc(OC)c1CNC(=O)N1CCCN(c2ccc(C)cc2)CC1	ZINC000852491211	GG	On-Demand	Anodyne	DRD4	26	43
CC[C@@H](C)CCNC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852491212	EH	On-Demand	Anodyne	EPHX2	20	49
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(OC(C)C)c1	ZINC000852491214	DG	On-Demand	Anodyne	ADRB1	24	40
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(OC(C)C)c1	ZINC000852491214	DG	On-Demand	Anodyne	ADRB3	35	40
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1	ZINC000852491215	DG	On-Demand	Anodyne	ADRB1	24	40
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1	ZINC000852491215	DG	On-Demand	Anodyne	ADRB3	35	40
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852491217	GC	On-Demand	Anodyne	FURIN	40	36
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000852491217	GC	On-Demand	Anodyne	L3MBTL3	41	34
Cc1cnc(CN2CCN(c3ccc(Br)cc3)CC2)cn1	ZINC000852491226	EF	On-Demand	Anodyne	DRD4	32	42
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491228	GD	On-Demand	Anodyne	HTR1A	51	43
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491228	GD	On-Demand	Anodyne	DRD2	30	43
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491228	GD	On-Demand	Anodyne	DRD4	24	43
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491228	GD	On-Demand	Anodyne	HTR2A	28	43
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491228	GD	On-Demand	Anodyne	DRD3	39	47
NC(=O)NC(=O)OCCCN1CCN(c2ccc(Br)cc2)CC1	ZINC000852491228	GD	On-Demand	Anodyne	HTR7	61	41
N#CCOc1ccc(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1	ZINC000852491229	GG	On-Demand	Mild	DRD4	15	42
N#CCOc1ccc(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc1	ZINC000852491229	GG	On-Demand	Mild	HRH3	15	49
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCC1	ZINC000852491233	DD	On-Demand	Reactive	HTR1A	15	46
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCC1	ZINC000852491233	DD	On-Demand	Reactive	DRD2	22	45
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCC1	ZINC000852491233	DD	On-Demand	Reactive	DRD3	19	41
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCC1	ZINC000852491233	DD	On-Demand	Reactive	MTNR1A	34	40
COc1cccc(OC)c1CNC(=O)NNC(=O)C1CCC1	ZINC000852491233	DD	On-Demand	Reactive	MTNR1B	37	41
O[C@H](CCN1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852491237	CD	On-Demand	Anodyne	SLC6A3	29	54
O[C@H](CCN1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852491237	CD	On-Demand	Anodyne	SIGMAR1	15	45
O[C@H](CCN1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852491237	CD	On-Demand	Anodyne	CCR5	33	43
O[C@H](CCN1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852491240	CD	On-Demand	Anodyne	SLC6A3	29	54
O[C@H](CCN1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852491240	CD	On-Demand	Anodyne	SIGMAR1	15	45
O[C@H](CCN1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852491240	CD	On-Demand	Anodyne	CCR5	33	43
O[C@@H](CCN1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852491242	CD	On-Demand	Anodyne	SLC6A3	29	54
O[C@@H](CCN1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852491242	CD	On-Demand	Anodyne	SIGMAR1	15	45
O[C@@H](CCN1CCN([C@H]2CCOC2)CC1)c1ccccc1	ZINC000852491242	CD	On-Demand	Anodyne	CCR5	33	43
O[C@@H](CCN1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852491244	CD	On-Demand	Anodyne	SLC6A3	29	54
O[C@@H](CCN1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852491244	CD	On-Demand	Anodyne	SIGMAR1	15	45
O[C@@H](CCN1CCN([C@@H]2CCOC2)CC1)c1ccccc1	ZINC000852491244	CD	On-Demand	Anodyne	CCR5	33	43
COc1cccc(OC)c1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	ZINC000852491251	GD	On-Demand	Reactive	ADRA1D	16	41
COc1cccc(OC)c1CNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	ZINC000852491251	GD	On-Demand	Reactive	ADRA1B	15	41
COc1cccc(OC)c1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	ZINC000852491254	GD	On-Demand	Reactive	ADRA1D	16	41
COc1cccc(OC)c1CNC(=O)NNC(=O)[C@H]1COc2ccccc2O1	ZINC000852491254	GD	On-Demand	Reactive	ADRA1B	15	41
CC[C@@H](C)CCNC(=O)N1CCN(c2ccnc(F)c2)CC1	ZINC000852491266	DE	On-Demand	Anodyne	CHEK1	42	35
COc1cccc(OC)c1CNC(=O)NNC(=O)CCc1ccccc1	ZINC000852491276	FE	On-Demand	Reactive	KCNA3	30	44
COc1cccc(OC)c1CNC(=O)NNC(=O)CCc1ccccc1	ZINC000852491276	FE	On-Demand	Reactive	MTNR1B	29	41
COc1cccc(OC)c1CNC(=O)NNC(=O)CCc1ccccc1	ZINC000852491276	FE	On-Demand	Reactive	FFAR1	40	44
COc1cccc(OC)c1CNC(=O)N1CCC(C#N)CC1	ZINC000852491279	DE	On-Demand	Mild	EPHX2	21	43
COc1cccc(OC)c1CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000852491280	GE	On-Demand	Anodyne	DRD2	22	41
COc1cccc(OC)c1CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000852491280	GE	On-Demand	Anodyne	MCHR1	15	48
COc1cccc(OC)c1CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000852491281	GE	On-Demand	Anodyne	DRD2	22	41
COc1cccc(OC)c1CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000852491281	GE	On-Demand	Anodyne	MCHR1	15	48
COc1cccc(OC)c1CNC(=O)N1CCC(OC[C@@H]2CCCO2)CC1	ZINC000852491291	GF	On-Demand	Anodyne	EPHX2	21	42
COc1cccc(OC)c1CNC(=O)N1CCC(OC[C@H]2CCCO2)CC1	ZINC000852491293	GF	On-Demand	Anodyne	EPHX2	21	42
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccccc1Cl	ZINC000852491312	FF	On-Demand	Anodyne	SOAT1	21	41
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccccc1Cl	ZINC000852491313	FF	On-Demand	Anodyne	SOAT1	21	41
CC(=O)N[C@@H](C)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1	ZINC000852491320	IC	On-Demand	Anodyne	NAMPT	18	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491338	GB	On-Demand	Anodyne	CA2	66	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491338	GB	On-Demand	Anodyne	CA1	45	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491338	GB	On-Demand	Anodyne	CA7	35	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491338	GB	On-Demand	Anodyne	ACACB	18	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491338	GB	On-Demand	Anodyne	CA4	40	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491338	GB	On-Demand	Anodyne	CA14	30	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491338	GB	On-Demand	Anodyne	CA12	35	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491338	GB	On-Demand	Anodyne	P96878_MYCTU	47	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491339	GB	On-Demand	Anodyne	CA2	66	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491339	GB	On-Demand	Anodyne	CA1	45	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491339	GB	On-Demand	Anodyne	CA7	35	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491339	GB	On-Demand	Anodyne	ACACB	18	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491339	GB	On-Demand	Anodyne	CA4	40	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491339	GB	On-Demand	Anodyne	CA14	30	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491339	GB	On-Demand	Anodyne	CA12	35	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491339	GB	On-Demand	Anodyne	P96878_MYCTU	47	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491340	GB	On-Demand	Anodyne	CA2	66	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491340	GB	On-Demand	Anodyne	CA1	45	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491340	GB	On-Demand	Anodyne	CA7	35	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491340	GB	On-Demand	Anodyne	ACACB	18	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491340	GB	On-Demand	Anodyne	CA4	40	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491340	GB	On-Demand	Anodyne	CA14	30	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491340	GB	On-Demand	Anodyne	CA12	35	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491340	GB	On-Demand	Anodyne	P96878_MYCTU	47	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491341	GB	On-Demand	Anodyne	CA2	66	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491341	GB	On-Demand	Anodyne	CA1	45	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491341	GB	On-Demand	Anodyne	CA7	35	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491341	GB	On-Demand	Anodyne	ACACB	18	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491341	GB	On-Demand	Anodyne	CA4	40	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491341	GB	On-Demand	Anodyne	CA14	30	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491341	GB	On-Demand	Anodyne	CA12	35	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000852491341	GB	On-Demand	Anodyne	P96878_MYCTU	47	44
COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O)ccc2c1	ZINC000852491344	GE	On-Demand	Anodyne	BMP1	50	40
COc1ccc2cc(CN(C)C(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O)ccc2c1	ZINC000852491344	GE	On-Demand	Anodyne	MTNR1A	42	38
COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)ccc2c1	ZINC000852491345	GE	On-Demand	Anodyne	BMP1	50	40
COc1ccc2cc(CN(C)C(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)ccc2c1	ZINC000852491345	GE	On-Demand	Anodyne	MTNR1A	42	38
COc1cccc(OC)c1CNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852491373	GF	On-Demand	Anodyne	MME	42	38
COc1cccc(OC)c1CNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852491373	GF	On-Demand	Anodyne	NPFFR2	41	35
COc1cccc(OC)c1CNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852491373	GF	On-Demand	Anodyne	CAPNS1	42	31
COc1cccc(OC)c1CNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852491373	GF	On-Demand	Anodyne	CAPN1	40	41
COc1cccc(OC)c1CNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852491373	GF	On-Demand	Anodyne	CAPN2	44	30
COc1cccc(OC)c1CNC(=O)N[C@H](COC(=N)O)Cc1ccccc1	ZINC000852491373	GF	On-Demand	Anodyne	NPFFR1	54	31
COc1cccc(OC)c1CNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852491374	GF	On-Demand	Anodyne	MME	42	38
COc1cccc(OC)c1CNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852491374	GF	On-Demand	Anodyne	NPFFR2	41	35
COc1cccc(OC)c1CNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852491374	GF	On-Demand	Anodyne	CAPNS1	42	31
COc1cccc(OC)c1CNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852491374	GF	On-Demand	Anodyne	CAPN1	40	41
COc1cccc(OC)c1CNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852491374	GF	On-Demand	Anodyne	CAPN2	44	30
COc1cccc(OC)c1CNC(=O)N[C@@H](COC(=N)O)Cc1ccccc1	ZINC000852491374	GF	On-Demand	Anodyne	NPFFR1	54	31
COc1cccc(OC)c1CNC(=O)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852491379	GH	On-Demand	Anodyne	EPHX2	19	47
COc1cccc(OC)c1CNC(=O)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852491379	GH	On-Demand	Anodyne	ACKR3	44	31
COc1cccc(OC)c1CNC(=O)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852491380	GH	On-Demand	Anodyne	EPHX2	19	47
COc1cccc(OC)c1CNC(=O)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852491380	GH	On-Demand	Anodyne	ACKR3	44	31
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000852491455	CF	On-Demand	Anodyne	ADRB1	16	41
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000852491455	CF	On-Demand	Anodyne	ADRB3	22	41
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(F)c1	ZINC000852491457	CF	On-Demand	Anodyne	ADRB1	16	41
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(F)c1	ZINC000852491457	CF	On-Demand	Anodyne	ADRB3	22	41
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	ZINC000852491470	EG	On-Demand	Reactive	MTNR1A	49	37
CC[C@@H](C)CCNC(=O)NNC(=O)Nc1cc(OC)ccc1Cl	ZINC000852491470	EG	On-Demand	Reactive	MTNR1B	40	35
CC[C@@H](C)CCNC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852491480	EF	On-Demand	Anodyne	ADRA1A	25	45
CC[C@@H](C)CCNC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852491480	EF	On-Demand	Anodyne	ADRA1B	15	45
CC[C@@H](C)CCNC(=O)N1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000852491480	EF	On-Demand	Anodyne	KCNA3	22	42
CC[C@@H](C)CCNC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852491481	EF	On-Demand	Anodyne	ADRA1A	25	45
CC[C@@H](C)CCNC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852491481	EF	On-Demand	Anodyne	ADRA1B	15	45
CC[C@@H](C)CCNC(=O)N1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000852491481	EF	On-Demand	Anodyne	KCNA3	22	42
CC[C@@H](C)CCNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852491498	DG	On-Demand	Anodyne	EPHX2	21	51
CC[C@@H](C)CCNC(=O)NCc1ccc(OC)cc1O	ZINC000852491505	CF	On-Demand	Clean	MTNR1A	71	42
CC[C@@H](C)CCNC(=O)NCc1ccc(OC)cc1O	ZINC000852491505	CF	On-Demand	Clean	MTNR1B	56	37
CC[C@@H](C)CCNC(=O)NCCNc1ncccc1C#N	ZINC000852491507	CE	On-Demand	Mild	ADRB1	42	32
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852491632	FF	On-Demand	Anodyne	ACACA	19	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852491632	FF	On-Demand	Anodyne	ACACB	22	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852491632	FF	On-Demand	Anodyne	ACE2	34	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852491637	FF	On-Demand	Anodyne	ACACA	19	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852491637	FF	On-Demand	Anodyne	ACACB	22	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1	ZINC000852491637	FF	On-Demand	Anodyne	ACE2	34	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852491648	ED	On-Demand	Anodyne	KCNQ2	19	48
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1	ZINC000852491649	ED	On-Demand	Anodyne	KCNQ2	19	48
CC[C@@H](C)CCNC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	ZINC000852491650	FI	On-Demand	Anodyne	CCR1	44	39
CC[C@@H](C)CCNC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1	ZINC000852491652	FI	On-Demand	Anodyne	CCR1	44	39
CC[C@@H](C)CCNC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852491655	DE	On-Demand	Reactive	MTNR1A	43	37
CC[C@@H](C)CCNC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852491655	DE	On-Demand	Reactive	CA9	15	40
CC[C@@H](C)CCNC(=O)NNC(=O)CCc1ccc(OC)cc1	ZINC000852491655	DE	On-Demand	Reactive	MMP1	15	41
C#C[C@@H]1CCCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852491660	DE	On-Demand	Mild	DRD2	28	42
C#C[C@H]1CCCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852491665	DE	On-Demand	Mild	DRD2	28	42
CC[C@@H](C)CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000852491684	DG	On-Demand	Bother	COLA	73	35
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1	ZINC000852491752	FF	On-Demand	Anodyne	MME	52	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1	ZINC000852491752	FF	On-Demand	Anodyne	ANPEP	44	33
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1	ZINC000852491752	FF	On-Demand	Anodyne	CAPNS1	50	30
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1	ZINC000852491752	FF	On-Demand	Anodyne	ACE2	50	35
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1	ZINC000852491753	FF	On-Demand	Anodyne	MME	52	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1	ZINC000852491753	FF	On-Demand	Anodyne	ANPEP	44	33
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1	ZINC000852491753	FF	On-Demand	Anodyne	CAPNS1	50	30
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1	ZINC000852491753	FF	On-Demand	Anodyne	ACE2	50	35
CC(C)(C)OC(=O)N1CC[C@@H](CCN[C@]2(C(=O)OC(C)(C)C)CCOC2)C1	ZINC000852491765	GF	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CC[C@H](CCN[C@]2(C(=O)OC(C)(C)C)CCOC2)C1	ZINC000852491766	GF	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CC[C@@H](CCN[C@@]2(C(=O)OC(C)(C)C)CCOC2)C1	ZINC000852491767	GF	On-Demand	Anodyne	GPR119	21	40
CC(C)(C)OC(=O)N1CC[C@H](CCN[C@@]2(C(=O)OC(C)(C)C)CCOC2)C1	ZINC000852491768	GF	On-Demand	Anodyne	GPR119	21	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852491769	FE	On-Demand	Anodyne	ACACA	20	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852491769	FE	On-Demand	Anodyne	ACACB	20	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852491769	FE	On-Demand	Anodyne	TPH1	40	39
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852491775	FE	On-Demand	Anodyne	ACACA	20	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852491775	FE	On-Demand	Anodyne	ACACB	20	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852491775	FE	On-Demand	Anodyne	TPH1	40	39
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852491781	FE	On-Demand	Anodyne	ACACA	20	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852491781	FE	On-Demand	Anodyne	ACACB	20	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1	ZINC000852491781	FE	On-Demand	Anodyne	TPH1	40	39
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852491786	FE	On-Demand	Anodyne	ACACA	20	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852491786	FE	On-Demand	Anodyne	ACACB	20	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1	ZINC000852491786	FE	On-Demand	Anodyne	TPH1	40	39
CC[C@@H](C)CCNC(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CC1	ZINC000852491792	FH	On-Demand	Anodyne	GPR119	24	40
CC[C@@H](C)CCNC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852491825	DH	On-Demand	Anodyne	CCR5	44	37
CC[C@@H](C)CCNC(=O)N1CCC([C@H](O)c2ccccc2)CC1	ZINC000852491825	DH	On-Demand	Anodyne	XIAP	47	35
CC[C@@H](C)CCNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852491827	DH	On-Demand	Anodyne	CCR5	44	37
CC[C@@H](C)CCNC(=O)N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000852491827	DH	On-Demand	Anodyne	XIAP	47	35
CC[C@@H](C)CCNC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1	ZINC000852491830	EG	On-Demand	Anodyne	CACNA1I	41	33
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CHRM2	21	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CHRM1	24	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	ACE	67	38
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	DRD2	21	52
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	DRD4	51	52
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	ACHE	36	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	OPRM1	23	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	DRD3	16	50
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	OPRD1	15	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CHRM3	29	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	LTA4H	25	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	SIGMAR1	48	48
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	SSTR5	44	35
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CTSB	17	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CTSK	21	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CTSL	17	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CACNA1B	19	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CCR3	37	45
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	UTS2R	24	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CCR2	17	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	ACE2	41	39
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	BACE1	18	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	MCHR1	35	49
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	GAG-PRO	68	35
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	XIAP	59	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	CACNA1G	25	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	BIRC2	85	52
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491876	FC	On-Demand	Anodyne	BIRC8	38	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CHRM2	21	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CHRM1	24	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	ACE	67	38
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	DRD2	21	52
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	DRD4	51	52
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	ACHE	36	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	OPRM1	23	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	DRD3	16	50
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	OPRD1	15	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CHRM3	29	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	LTA4H	25	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	SIGMAR1	48	48
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	SSTR5	44	35
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CTSB	17	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CTSK	21	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CTSL	17	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CACNA1B	19	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CCR3	37	45
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	UTS2R	24	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CCR2	17	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	ACE2	41	39
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	BACE1	18	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	MCHR1	35	49
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	GAG-PRO	68	35
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	XIAP	59	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	CACNA1G	25	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	BIRC2	85	52
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000852491877	FC	On-Demand	Anodyne	BIRC8	38	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CHRM2	21	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CHRM1	24	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	ACE	67	38
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	DRD2	21	52
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	DRD4	51	52
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	ACHE	36	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	OPRM1	23	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	DRD3	16	50
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	OPRD1	15	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CHRM3	29	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	LTA4H	25	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	SIGMAR1	48	48
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	SSTR5	44	35
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CTSB	17	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CTSK	21	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CTSL	17	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CACNA1B	19	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CCR3	37	45
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	UTS2R	24	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CCR2	17	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	ACE2	41	39
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	BACE1	18	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	MCHR1	35	49
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	GAG-PRO	68	35
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	XIAP	59	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	CACNA1G	25	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	BIRC2	85	52
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491878	FC	On-Demand	Anodyne	BIRC8	38	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CHRM2	21	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CHRM1	24	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	ACE	67	38
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	DRD2	21	52
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	DRD4	51	52
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	ACHE	36	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	OPRM1	23	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	DRD3	16	50
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	OPRD1	15	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CHRM3	29	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	LTA4H	25	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	SIGMAR1	48	48
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	SSTR5	44	35
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CTSB	17	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CTSK	21	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CTSL	17	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CACNA1B	19	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CCR3	37	45
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	UTS2R	24	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CCR2	17	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	ACE2	41	39
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	BACE1	18	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	MCHR1	35	49
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	GAG-PRO	68	35
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	XIAP	59	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	CACNA1G	25	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	BIRC2	85	52
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1	ZINC000852491879	FC	On-Demand	Anodyne	BIRC8	38	40
COc1ccc2c(c1)CN(C(=O)NCc1c(OC)cccc1OC)CCO2	ZINC000852491880	FF	On-Demand	Anodyne	DRD4	42	32
COc1ccc2c(c1)CN(C(=O)NCc1c(OC)cccc1OC)CCO2	ZINC000852491880	FF	On-Demand	Anodyne	MTNR1A	50	41
COc1ccc2c(c1)CN(C(=O)NCc1c(OC)cccc1OC)CCO2	ZINC000852491880	FF	On-Demand	Anodyne	MTNR1B	49	36
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852491885	IC	On-Demand	Anodyne	TRY2_BOVIN	26	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852491885	IC	On-Demand	Anodyne	TGM2	70	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852491885	IC	On-Demand	Anodyne	F13A1	72	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852491886	IC	On-Demand	Anodyne	TRY2_BOVIN	26	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852491886	IC	On-Demand	Anodyne	TGM2	70	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000852491886	IC	On-Demand	Anodyne	F13A1	72	43
CC[C@@H](C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852491890	EF	On-Demand	Bother	SSTR1	47	48
COc1cccc(OC)c1CNC(=O)N1CCC([C@@H](O)c2ccccc2C)CC1	ZINC000852491895	GH	On-Demand	Anodyne	EPHX2	18	40
COc1cccc(OC)c1CNC(=O)N1CCC([C@H](O)c2ccccc2C)CC1	ZINC000852491896	GH	On-Demand	Anodyne	EPHX2	18	40
CC(C)(C)OC(=O)N1CCC(CCN[C@@]2(C(=O)OC(C)(C)C)CCOC2)CC1	ZINC000852491901	GG	On-Demand	Anodyne	GPR119	29	43
CC(C)(C)OC(=O)N1CCC(CCN[C@]2(C(=O)OC(C)(C)C)CCOC2)CC1	ZINC000852491902	GG	On-Demand	Anodyne	GPR119	29	43
CC[C@@H](C)CCNC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852491907	ED	On-Demand	Anodyne	TMPRSS11D	54	38
COc1cccc(OC)c1CNC(=O)N1CC[C@H](O)C1(C)C	ZINC000852491914	DD	On-Demand	Anodyne	DRD2	20	41
COc1cccc(OC)c1CNC(=O)N1CC[C@@H](O)C1(C)C	ZINC000852491915	DD	On-Demand	Anodyne	DRD2	20	41
COc1cccc(OC)c1CNC(=O)NNc1cc(C(F)(F)F)ccn1	ZINC000852491924	FF	On-Demand	Reactive	PDS	40	35
CC[C@@H](C)CCNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000852491927	EG	On-Demand	Anodyne	CTSK	16	44
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA2	73	49
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA6	18	43
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA1	68	49
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA7	48	43
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA13	16	43
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA4	44	42
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA5A	34	43
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA14	46	41
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA12	51	43
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CA9	56	43
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	CYNT	42	44
CC(C)(C)OC(=O)[C@]1(NCCc2ccc(S(N)(=O)=O)cc2)CCOC1	ZINC000852491932	FC	On-Demand	Anodyne	A6YCJ1_9METZ	22	41
COc1cccc(OC)c1CNC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000852491934	FF	On-Demand	Anodyne	CCR1	17	42
COc1cccc(OC)c1CNC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000852491935	FF	On-Demand	Anodyne	CCR1	17	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852491939	EC	On-Demand	Anodyne	ACACA	15	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852491939	EC	On-Demand	Anodyne	ACACB	22	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852491939	EC	On-Demand	Anodyne	MTNR1B	29	49
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852491939	EC	On-Demand	Anodyne	PDS	45	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852491940	EC	On-Demand	Anodyne	ACACA	15	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852491940	EC	On-Demand	Anodyne	ACACB	22	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852491940	EC	On-Demand	Anodyne	MTNR1B	29	49
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCOc1cccc(C)c1	ZINC000852491940	EC	On-Demand	Anodyne	PDS	45	40
C#CC[C@H]1CCCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852491943	DF	On-Demand	Mild	DRD2	31	40
C#CC[C@@H]1CCCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852491944	DF	On-Demand	Mild	DRD2	31	40
COc1cccc(OC)c1CNC(=O)N1CCc2cc(F)cc(C)c2C1	ZINC000852491945	FG	On-Demand	Anodyne	DRD4	40	32
COc1cccc(OC)c1CNC(=O)N1CCc2cc(F)cc(C)c2C1	ZINC000852491945	FG	On-Demand	Anodyne	ABCB1B	42	35
CC[C@@H](C)CCNC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000852491964	DF	On-Demand	Reactive	EPHX2	28	43
CC[C@@H](C)CCNC(=O)NNC(=O)c1cccc(Cl)c1	ZINC000852492019	CF	On-Demand	Reactive	CTSV	17	40
CC[C@@H](C)CCNC(=O)NNC(=O)c1cccc(Cl)c1	ZINC000852492019	CF	On-Demand	Reactive	KCNK3	16	40
COc1cccc(OC)c1CNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852492020	GG	On-Demand	Anodyne	KCNA3	55	51
COc1cccc(OC)c1CNC(=O)NC1CCC(O)(c2ccccc2)CC1	ZINC000852492020	GG	On-Demand	Anodyne	EPHX2	18	40
COc1cccc(OC)c1CNC(=O)N1CCC[C@H](C2(C)OCCO2)C1	ZINC000852492023	FE	On-Demand	Anodyne	ACKR3	62	32
COc1cccc(OC)c1CNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1	ZINC000852492024	FE	On-Demand	Anodyne	ACKR3	62	32
CC(C)(C)OC(=O)[C@]1(NC[C@H](O)c2cccnc2)CCOC1	ZINC000852492025	DD	On-Demand	Anodyne	ADRB3	52	39
CC(C)(C)OC(=O)[C@]1(NC[C@@H](O)c2cccnc2)CCOC1	ZINC000852492026	DD	On-Demand	Anodyne	ADRB3	52	39
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCc1ccccc1C	ZINC000852492029	DD	On-Demand	Anodyne	AMP1_PLAFQ	20	46
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCc1ccccc1C	ZINC000852492030	DD	On-Demand	Anodyne	AMP1_PLAFQ	20	46
CC(C)(C)OC(=O)[C@]1(NCC(=O)NNC(=O)c2ccc(C#N)cc2)CCOC1	ZINC000852492036	GC	On-Demand	Reactive	CTRB_BOVIN	44	32
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	DRD2	29	48
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	ADRA1D	34	48
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	ADRA1A	25	48
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	ADRA1B	27	48
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	DRD3	16	41
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	SIGMAR1	16	43
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	HCN1	57	41
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	HCN4	56	41
COc1cccc(OC)c1CNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852492039	GG	On-Demand	Anodyne	L3MBTL3	75	36
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000852492069	GC	On-Demand	Anodyne	DPOL_VZVD	23	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000852492070	GC	On-Demand	Anodyne	DPOL_VZVD	23	40
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	MME	33	43
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	KLK3	56	36
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	CTSB	58	40
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	PAPA1_CARPA	73	36
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	CTSK	33	42
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	CTSL	29	41
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	CAPNS1	61	37
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	CAPN1	79	40
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	CAPN2	126	41
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	NPR	77	45
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	PSMB5	45	36
CC[C@@H](C)CCNC(=O)NCC(=O)OCc1ccccc1	ZINC000852492073	CE	On-Demand	Anodyne	PDS	44	33
COC[C@@H](O)CNC(=O)NCc1c(OC)cccc1OC	ZINC000852492083	CC	On-Demand	Anodyne	ADRB1	45	34
COc1cccc(OC)c1CNC(=O)N1CCN(c2ccnc(F)c2)CC1	ZINC000852492086	FE	On-Demand	Anodyne	HTR1A	28	42
COc1cccc(OC)c1CNC(=O)N1CCN(c2ccnc(F)c2)CC1	ZINC000852492086	FE	On-Demand	Anodyne	PDGFRB	44	37
COc1cccc(OC)c1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852492087	GF	On-Demand	Clean	HTR1A	26	40
COCCCNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O	ZINC000852492088	CB	On-Demand	Anodyne	WDR5	34	40
COCCCNC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O	ZINC000852492089	CB	On-Demand	Anodyne	WDR5	34	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1	ZINC000852492156	FD	On-Demand	Anodyne	ACR	55	37
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1	ZINC000852492157	FD	On-Demand	Anodyne	ACR	55	37
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCC(C)C	ZINC000852492175	CC	On-Demand	Anodyne	PGA	43	38
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCC(C)C	ZINC000852492175	CC	On-Demand	Anodyne	WDR5	34	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCC(C)C	ZINC000852492176	CC	On-Demand	Anodyne	PGA	43	38
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCC(C)C	ZINC000852492176	CC	On-Demand	Anodyne	WDR5	34	40
CC(C)(C)OC(=O)[C@]1(NCc2cn(Cc3ccccc3)nn2)CCOC1	ZINC000852492177	FD	On-Demand	Anodyne	KDM1A	17	40
COc1cccc(OC)c1CNC(=O)N1CCC(OC(=O)N(C)C)CC1	ZINC000852492186	FE	On-Demand	Anodyne	EPHX2	24	48
COc1cccc(OC)c1CNC(=O)N1CCC(C(=O)C(F)(F)F)CC1	ZINC000852492187	FF	On-Demand	Anodyne	EPHX2	34	44
CC[C@@H](C)CCNC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000852492206	EG	On-Demand	Anodyne	CTSK	17	47
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852492211	GF	On-Demand	Anodyne	ADRA1D	22	41
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852492211	GF	On-Demand	Anodyne	ADRA1A	31	41
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852492211	GF	On-Demand	Anodyne	ADRA1B	25	41
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852492211	GF	On-Demand	Anodyne	TACR2	18	43
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852492211	GF	On-Demand	Anodyne	KCNA3	47	42
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCc2c(OC)cccc2OC)C1	ZINC000852492211	GF	On-Demand	Anodyne	EPHX2	20	41
CC[C@@H](C)CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1	ZINC000852492231	DF	On-Demand	Reactive	AVPR1A	15	41
CCCCCNC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O	ZINC000852492233	CC	On-Demand	Anodyne	WDR5	35	41
CCCCCNC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O	ZINC000852492233	CC	On-Demand	Anodyne	NOD1	55	38
CCCCCNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O	ZINC000852492234	CC	On-Demand	Anodyne	WDR5	35	41
CCCCCNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O	ZINC000852492234	CC	On-Demand	Anodyne	NOD1	55	38
COc1cccc(OC)c1CNC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852492246	GF	On-Demand	Anodyne	PDGFRB	56	36
COc1cccc(OC)c1CNC(=O)N1CCCN(c2ncccc2F)CC1	ZINC000852492246	GF	On-Demand	Anodyne	RBP4	16	50
CC(C)(C)OC(=O)[C@]1(NC[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCOC1	ZINC000852492257	GF	On-Demand	Anodyne	LUCI_PHOPY	53	40
CC(C)(C)OC(=O)[C@]1(NC[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCOC1	ZINC000852492260	GF	On-Demand	Anodyne	LUCI_PHOPY	53	40
COc1cccc(OC)c1CNC(=O)NCCc1c[nH]c2cccc(OC)c12	ZINC000852492267	GG	On-Demand	Anodyne	MTNR1A	29	49
COc1cccc(OC)c1CNC(=O)NCCc1c[nH]c2cccc(OC)c12	ZINC000852492267	GG	On-Demand	Anodyne	MTNR1B	23	49
CC(C)(C)OC(=O)[C@]1(NC[C@@H](O)c2cccc(Cl)c2)CCOC1	ZINC000852492270	EE	On-Demand	Anodyne	ADRB3	41	39
CC(C)(C)OC(=O)[C@]1(NC[C@@H](O)c2cccc(Cl)c2)CCOC1	ZINC000852492270	EE	On-Demand	Anodyne	CYP3A4	46	36
CC(C)(C)OC(=O)[C@]1(NC[C@H](O)c2cccc(Cl)c2)CCOC1	ZINC000852492273	EE	On-Demand	Anodyne	ADRB3	41	39
CC(C)(C)OC(=O)[C@]1(NC[C@H](O)c2cccc(Cl)c2)CCOC1	ZINC000852492273	EE	On-Demand	Anodyne	CYP3A4	46	36
CC[C@@H](C)CCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	ZINC000852492277	EG	On-Demand	Reactive	NPR1	57	38
CC[C@@H](C)CCNC(=O)NNC(=O)Cc1ccc2ccccc2c1	ZINC000852492277	EG	On-Demand	Reactive	ACE2	16	40
COc1cccc(OC)c1CNC(=O)N1CCC2(CC1)OCCCO2	ZINC000852492288	FE	On-Demand	Anodyne	HCN1	45	39
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852492293	FD	On-Demand	Anodyne	ACACB	17	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852492293	FD	On-Demand	Anodyne	MTNR1A	36	41
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852492293	FD	On-Demand	Anodyne	MTNR1B	36	41
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852492294	FD	On-Demand	Anodyne	ACACB	17	40
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852492294	FD	On-Demand	Anodyne	MTNR1A	36	41
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(C)=O)c1	ZINC000852492294	FD	On-Demand	Anodyne	MTNR1B	36	41
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)cc1	ZINC000852492316	ED	On-Demand	Anodyne	ACACA	27	46
CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(C)=O)cc1	ZINC000852492316	ED	On-Demand	Anodyne	ACACB	29	46
CC[C@@H](C)CCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852492338	EG	On-Demand	Anodyne	NPY2R	97	40
CC[C@@H](C)CCNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1	ZINC000852492338	EG	On-Demand	Anodyne	SLC6A9	25	50
CC[C@@H](C)CCNC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852492345	EG	On-Demand	Anodyne	Q6PRC7_IXORI	22	41
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	MME	34	44
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	ANPEP	27	45
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CASP3	19	40
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	KLK3	76	35
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CTSB	62	42
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	PAPA1_CARPA	77	39
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CYSP_TRYCR	41	37
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CTSK	31	41
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CTSL	34	41
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CAPNS1	65	37
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CTSS	15	41
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CAPN1	92	42
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	CAPN2	122	42
COc1cccc(OC)c1CNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852492363	FF	On-Demand	Anodyne	NPR	82	37
COc1cccc(OC)c1CNC(=O)NC1CCC(O)(c2cccnc2)CC1	ZINC000852492386	GF	On-Demand	Anodyne	KCNA3	45	43
COc1cccc(OC)c1CNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852492388	GG	On-Demand	Anodyne	EPHX2	19	48
COc1cccc(OC)c1CNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852492388	GG	On-Demand	Anodyne	TRPM8	19	44
COc1cccc(OC)c1CNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852492389	GG	On-Demand	Anodyne	EPHX2	19	48
COc1cccc(OC)c1CNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852492389	GG	On-Demand	Anodyne	TRPM8	19	44
CCOC(=O)N1CCC(NC(=O)NCC[C@H](C)CC)CC1	ZINC000852492390	CE	On-Demand	Anodyne	EPHX2	27	46
CCOC(=O)N1CCC(NC(=O)NCC[C@@H](C)CC)CC1	ZINC000852492391	CE	On-Demand	Anodyne	EPHX2	27	46
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000852492394	ED	On-Demand	Anodyne	ACACA	20	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000852492394	ED	On-Demand	Anodyne	ACACB	19	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000852492395	ED	On-Demand	Anodyne	ACACA	20	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000852492395	ED	On-Demand	Anodyne	ACACB	19	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852492396	ED	On-Demand	Anodyne	ACACA	20	41
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852492396	ED	On-Demand	Anodyne	ACACB	19	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852492397	ED	On-Demand	Anodyne	ACACA	20	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000852492397	ED	On-Demand	Anodyne	ACACB	19	41
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852492400	ED	On-Demand	Anodyne	XIAP	33	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852492400	ED	On-Demand	Anodyne	BIRC3	51	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852492400	ED	On-Demand	Anodyne	BIRC2	28	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852492401	ED	On-Demand	Anodyne	XIAP	33	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852492401	ED	On-Demand	Anodyne	BIRC3	51	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000852492401	ED	On-Demand	Anodyne	BIRC2	28	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852492402	ED	On-Demand	Anodyne	XIAP	33	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852492402	ED	On-Demand	Anodyne	BIRC3	51	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852492402	ED	On-Demand	Anodyne	BIRC2	28	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852492403	ED	On-Demand	Anodyne	XIAP	33	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852492403	ED	On-Demand	Anodyne	BIRC3	51	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H]1CCOc2ccccc21	ZINC000852492403	ED	On-Demand	Anodyne	BIRC2	28	42
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852492422	GH	On-Demand	Anodyne	ADRB2	37	40
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852492422	GH	On-Demand	Anodyne	ADRB1	24	46
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852492423	GH	On-Demand	Anodyne	ADRB2	37	40
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852492423	GH	On-Demand	Anodyne	ADRB1	24	46
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852492433	CG	On-Demand	Anodyne	ADRB1	40	45
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852492433	CG	On-Demand	Anodyne	ADRB3	56	45
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852492435	CG	On-Demand	Anodyne	ADRB1	40	45
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852492435	CG	On-Demand	Anodyne	ADRB3	56	45
C#CC1CCN(C(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852492469	DE	On-Demand	Mild	DRD2	27	40
C#CC1CCN(C(=O)NCc2c(OC)cccc2OC)CC1	ZINC000852492469	DE	On-Demand	Mild	EPHX2	23	43
CC(C)(C)OC(=O)[C@]1(NCCC(=O)OCc2ccccc2)CCOC1	ZINC000852492474	EE	On-Demand	Anodyne	SLC12A5	64	37
CC[C@@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852492476	DF	On-Demand	Reactive	CCKAR	26	45
CC[C@@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852492476	DF	On-Demand	Reactive	BRS3	25	42
CC[C@@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852492476	DF	On-Demand	Reactive	GRPR	47	31
CC[C@@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852492476	DF	On-Demand	Reactive	MMP11	43	32
CC[C@@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852492476	DF	On-Demand	Reactive	CFTR	34	41
CC[C@@H](C)CCNC(=O)NNC(=O)c1c[nH]c2ccccc12	ZINC000852492476	DF	On-Demand	Reactive	KISS1R	53	32
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	ACE	18	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	SSTR2	78	37
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MME	28	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	EDNRB	25	46
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	EDNRA	35	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	TACR1	33	58
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MC4R	42	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	NQO2	36	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	CCKAR	116	55
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	CTSL	24	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MPO	33	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	BRS3	31	52
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	NMBR	59	58
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MC3R	68	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MC5R	71	39
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MTNR1A	42	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MTNR1B	28	47
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MMP2	27	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MMP8	35	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	GRPR	90	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	ECE1	59	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MMP11	81	39
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	CCKBR	95	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	GHSR	66	46
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MMP9	25	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MC1R	88	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	MMP1	23	42
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	NPR	29	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	KISS1R	74	35
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	ERAP2	41	38
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492492	ED	On-Demand	Anodyne	HPN	20	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	ACE	18	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	SSTR2	78	37
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MME	28	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	EDNRB	25	46
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	EDNRA	35	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	TACR1	33	58
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MC4R	42	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	NQO2	36	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	CCKAR	116	55
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	CTSL	24	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MPO	33	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	BRS3	31	52
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	NMBR	59	58
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MC3R	68	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MC5R	71	39
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MTNR1A	42	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MTNR1B	28	47
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MMP2	27	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MMP8	35	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	GRPR	90	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	ECE1	59	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MMP11	81	39
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	CCKBR	95	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	GHSR	66	46
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MMP9	25	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MC1R	88	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	MMP1	23	42
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	NPR	29	44
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	KISS1R	74	35
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	ERAP2	41	38
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12	ZINC000852492493	ED	On-Demand	Anodyne	HPN	20	40
CC[C@@H](C)CCNC(=O)NNC(=O)Cc1ccc(F)cc1	ZINC000852492540	CE	On-Demand	Reactive	LEF	48	32
COc1cccc(OC)c1CNC(=O)N1CC[C@@H](OC(=O)N(C)C)C1	ZINC000852492627	FD	On-Demand	Anodyne	EPHX2	20	44
COc1cccc(OC)c1CNC(=O)N1CC[C@H](OC(=O)N(C)C)C1	ZINC000852492628	FD	On-Demand	Anodyne	EPHX2	20	44
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852492630	FE	On-Demand	Anodyne	ACE2	27	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852492631	FE	On-Demand	Anodyne	ACE2	27	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc12	ZINC000852492632	FE	On-Demand	Anodyne	ACE2	27	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc12	ZINC000852492633	FE	On-Demand	Anodyne	ACE2	27	40
COc1cccc(OC)c1CNC(=O)N1CCC(c2nccc(C)n2)CC1	ZINC000852492635	FF	On-Demand	Anodyne	EPHX2	18	41
COc1cccc(OC)c1CNC(=O)N1CCC(c2nccc(C)n2)CC1	ZINC000852492635	FF	On-Demand	Anodyne	CARM1	45	33
CC(C)(C)OC(=O)[C@]1(NCc2cc(=O)oc3cc(O)ccc23)CCOC1	ZINC000852492653	FE	On-Demand	Anodyne	HSD17B3	31	46
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492661	ED	On-Demand	Anodyne	ACE	22	40
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492661	ED	On-Demand	Anodyne	MME	46	43
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492661	ED	On-Demand	Anodyne	PAPA1_CARPA	40	39
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492661	ED	On-Demand	Anodyne	HLA-DRB1	49	34
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492661	ED	On-Demand	Anodyne	CAPN2	41	31
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492661	ED	On-Demand	Anodyne	ACE2	49	34
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492661	ED	On-Demand	Anodyne	NPR	60	34
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492662	ED	On-Demand	Anodyne	ACE	22	40
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492662	ED	On-Demand	Anodyne	MME	46	43
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492662	ED	On-Demand	Anodyne	PAPA1_CARPA	40	39
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492662	ED	On-Demand	Anodyne	HLA-DRB1	49	34
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492662	ED	On-Demand	Anodyne	CAPN2	41	31
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492662	ED	On-Demand	Anodyne	ACE2	49	34
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)C(C)C	ZINC000852492662	ED	On-Demand	Anodyne	NPR	60	34
Cc1cccc(C(=O)NNC(=O)CN[C@@]2(C(=O)OC(C)(C)C)CCOC2)c1	ZINC000852492663	GC	On-Demand	Reactive	KCNK3	49	34
Cc1cccc(C(=O)NNC(=O)CN[C@]2(C(=O)OC(C)(C)C)CCOC2)c1	ZINC000852492664	GC	On-Demand	Reactive	KCNK3	49	34
COc1cccc(OC)c1CNC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852492682	EF	On-Demand	Anodyne	HTR1A	26	41
COc1cccc(OC)c1CNC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852492682	EF	On-Demand	Anodyne	DRD4	25	52
COc1cccc(OC)c1CNC(=O)N1CC[C@H](c2ccccn2)C1	ZINC000852492682	EF	On-Demand	Anodyne	EPHX2	27	50
COc1cccc(OC)c1CNC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852492683	EF	On-Demand	Anodyne	HTR1A	26	41
COc1cccc(OC)c1CNC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852492683	EF	On-Demand	Anodyne	DRD4	25	52
COc1cccc(OC)c1CNC(=O)N1CC[C@@H](c2ccccn2)C1	ZINC000852492683	EF	On-Demand	Anodyne	EPHX2	27	50
CC(C)(C)OC(=O)[C@]1(NCC(=O)Nc2cccnc2Cl)CCOC1	ZINC000852492684	FD	On-Demand	Anodyne	G2YM83_BOTF4	69	36
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cc(OC)ccc1OC	ZINC000852492695	DE	On-Demand	Anodyne	MTNR1A	44	45
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1cc(OC)ccc1OC	ZINC000852492695	DE	On-Demand	Anodyne	MTNR1B	36	40
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cc(OC)ccc1OC	ZINC000852492696	DE	On-Demand	Anodyne	MTNR1A	44	45
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1cc(OC)ccc1OC	ZINC000852492696	DE	On-Demand	Anodyne	MTNR1B	36	40
CC(C)(C)OC(=O)[C@]1(NCc2ccc(-n3ccnc3)nc2)CCOC1	ZINC000852492708	ED	On-Demand	Anodyne	NOS2	56	31
COc1cccc(OC)c1CNC(=O)N1Cc2cccc(Cl)c2C1	ZINC000852492717	EH	On-Demand	Anodyne	SSTR1	47	35
COc1cccc(OC)c1CNC(=O)N1CCC(F)(F)CC1	ZINC000852492718	DF	On-Demand	Anodyne	HCN1	40	38
COc1cccc(OC)c1CNC(=O)N1CCN(c2ccc(C)cc2)CC1	ZINC000852492719	FG	On-Demand	Anodyne	HTR1A	39	46
COc1cccc(OC)c1CNC(=O)N1CCN(c2ccc(C)cc2)CC1	ZINC000852492719	FG	On-Demand	Anodyne	DRD2	30	44
COc1cccc(OC)c1CNC(=O)N1CCN(c2ccc(C)cc2)CC1	ZINC000852492719	FG	On-Demand	Anodyne	DRD4	47	46
COc1cccc(OC)c1CNC(=O)N1CCN(c2ccc(C)cc2)CC1	ZINC000852492719	FG	On-Demand	Anodyne	DRD3	44	44
COc1cccc(OC)c1CNC(=O)N1CCN(c2ccc(C)cc2)CC1	ZINC000852492719	FG	On-Demand	Anodyne	HTR7	31	41
COc1cccc(OC)c1CNC(=O)N1CCN(c2ccc(C)cc2)CC1	ZINC000852492719	FG	On-Demand	Anodyne	SSTR1	49	39
CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NCCc1ccccc1C	ZINC000852492760	DD	On-Demand	Anodyne	MTNR1A	44	38
CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NCCc1ccccc1C	ZINC000852492761	DD	On-Demand	Anodyne	MTNR1A	44	38
COc1cccc(OC)c1CNC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1	ZINC000852492762	GG	On-Demand	Anodyne	PPARD	15	42
COc1cccc(OC)c1CNC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1	ZINC000852492763	GG	On-Demand	Anodyne	PPARD	15	42
COc1ccc2c(CN[C@@]3(C(=O)OC(C)(C)C)CCOC3)cc(=O)oc2c1	ZINC000852492775	GE	On-Demand	Anodyne	MAOB	21	41
COc1ccc2c(CN[C@@]3(C(=O)OC(C)(C)C)CCOC3)cc(=O)oc2c1	ZINC000852492775	GE	On-Demand	Anodyne	KDM1A	15	44
COc1ccc2c(CN[C@]3(C(=O)OC(C)(C)C)CCOC3)cc(=O)oc2c1	ZINC000852492776	GE	On-Demand	Anodyne	MAOB	21	41
COc1ccc2c(CN[C@]3(C(=O)OC(C)(C)C)CCOC3)cc(=O)oc2c1	ZINC000852492776	GE	On-Demand	Anodyne	KDM1A	15	44
COc1cccc(OC)c1CNC(=O)N1CCN(c2cccc(F)n2)CC1	ZINC000852492788	FE	On-Demand	Anodyne	HTR1A	29	44
COc1cccc(OC)c1CNC(=O)N1CCN(c2cccc(F)n2)CC1	ZINC000852492788	FE	On-Demand	Anodyne	DRD2	24	44
COc1cccc(OC)c1CNC(=O)N1CCN(c2cccc(F)n2)CC1	ZINC000852492788	FE	On-Demand	Anodyne	DRD4	19	44
COc1cccc(OC)c1CNC(=O)N1CCN(c2cccc(F)n2)CC1	ZINC000852492788	FE	On-Demand	Anodyne	DRD3	37	44
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1ccccc1	ZINC000852492799	CE	On-Demand	Anodyne	ADRB1	15	40
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1ccccc1	ZINC000852492799	CE	On-Demand	Anodyne	ADRB3	31	40
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1ccccc1	ZINC000852492799	CE	On-Demand	Anodyne	CAPN1	17	45
CC[C@@H](C)CCNC(=O)NC[C@H](O)c1ccccc1	ZINC000852492799	CE	On-Demand	Anodyne	CAPN2	42	45
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852492800	CE	On-Demand	Anodyne	ADRB1	15	40
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852492800	CE	On-Demand	Anodyne	ADRB3	31	40
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852492800	CE	On-Demand	Anodyne	CAPN1	17	45
CC[C@@H](C)CCNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852492800	CE	On-Demand	Anodyne	CAPN2	42	45
COc1cccc(OC)c1CNC(=O)N1CCc2cc(Cl)nnc2C1	ZINC000852492811	FE	On-Demand	Anodyne	MAPK1	40	43
COc1cccc(OC)c1CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852492832	GF	On-Demand	Anodyne	GRIN2B	15	42
COc1cccc(OC)c1CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852492832	GF	On-Demand	Anodyne	EPHX2	24	47
COc1cccc(OC)c1CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852492832	GF	On-Demand	Anodyne	SCD1	23	40
CC[C@@H](C)CCNC(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000852492839	GF	On-Demand	Anodyne	MTOR	45	37
COc1cccc(OC)c1CNC(=O)NC[C@](C)(O)c1ccccc1Cl	ZINC000852492864	GG	On-Demand	Anodyne	ECR	25	40
COc1cccc(OC)c1CNC(=O)NC[C@@](C)(O)c1ccccc1Cl	ZINC000852492865	GG	On-Demand	Anodyne	ECR	25	40
Cc1ccncc1CCNC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852492921	GF	On-Demand	Anodyne	GPR119	33	42
Cc1ccncc1CCNC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000852492922	GF	On-Demand	Anodyne	GPR119	33	42
COc1cccc([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852492930	ED	On-Demand	Anodyne	ADRB1	32	41
COc1cccc([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852492930	ED	On-Demand	Anodyne	ADRB3	57	41
COc1cccc([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852492930	ED	On-Demand	Anodyne	NQO2	25	43
COc1cccc([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852492930	ED	On-Demand	Anodyne	KCNA5	16	40
COc1cccc([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852492930	ED	On-Demand	Anodyne	MTNR1A	78	44
COc1cccc([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852492930	ED	On-Demand	Anodyne	MTNR1B	65	39
Cc1ccncc1CCNC(=O)NC[C@H](O)c1cccc(F)c1	ZINC000852492931	DE	On-Demand	Anodyne	ADRB3	41	38
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1cccc(F)c1	ZINC000852492932	DE	On-Demand	Anodyne	ADRB3	41	38
Cc1ccncc1CCNC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000852493000	FF	On-Demand	Anodyne	GPR119	37	48
NC(=O)C1(NCCC(=O)OCc2ccccc2)CCOCC1	ZINC000852493014	DC	On-Demand	Anodyne	NPR	45	32
NC(=O)C1(NCCC(=O)OCc2ccccc2)CCOCC1	ZINC000852493014	DC	On-Demand	Anodyne	SLC12A5	58	35
Cc1ccncc1CCNC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852493025	GF	On-Demand	Anodyne	GRIN2B	19	42
Cc1ccncc1CCNC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852493025	GF	On-Demand	Anodyne	CACNA1I	43	37
Cc1ccncc1CCNC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852493025	GF	On-Demand	Anodyne	GPR119	49	46
Cc1ccncc1CCNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852493028	ED	On-Demand	Anodyne	ADRB2	24	41
Cc1ccncc1CCNC(=O)NC[C@H](O)COc1cccc(F)c1	ZINC000852493028	ED	On-Demand	Anodyne	ADRB1	52	39
Cc1ccncc1CCNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852493029	ED	On-Demand	Anodyne	ADRB2	24	41
Cc1ccncc1CCNC(=O)NC[C@@H](O)COc1cccc(F)c1	ZINC000852493029	ED	On-Demand	Anodyne	ADRB1	52	39
Cc1ccncc1CCNC(=O)N1CCc2c(C)cccc2C1	ZINC000852493030	DG	On-Demand	Anodyne	P2RY14	51	38
Cc1ccncc1CCNC(=O)N1CCc2c(F)cccc2C1	ZINC000852493038	DF	On-Demand	Anodyne	P2RY14	48	35
NC(=O)C1(NCC(=O)Nc2ccc(-c3ccccc3)cc2)CCOCC1	ZINC000852493072	FD	On-Demand	Anodyne	SLC1A1	27	44
NC(=O)C1(NCC(=O)Nc2ccc(-c3ccccc3)cc2)CCOCC1	ZINC000852493072	FD	On-Demand	Anodyne	SLC1A2	39	44
NC(=O)C1(NCC(=O)Nc2ccc(N3CCCCC3)cc2)CCOCC1	ZINC000852493137	FD	On-Demand	Anodyne	STAT6	53	33
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000852493142	FF	On-Demand	Anodyne	GPR119	37	52
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000852493143	FF	On-Demand	Anodyne	GPR119	37	52
Cc1ccncc1CCNC(=O)N1CCC(C(=O)NCC(C)C)CC1	ZINC000852493162	EE	On-Demand	Anodyne	PRKD1	19	40
Cc1ccncc1CCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852493175	GI	On-Demand	Anodyne	RBP4	79	41
Cc1ccncc1CCNC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000852493175	GI	On-Demand	Anodyne	WNT3	42	34
Cc1ccncc1CCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852493176	GI	On-Demand	Anodyne	RBP4	79	41
Cc1ccncc1CCNC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000852493176	GI	On-Demand	Anodyne	WNT3	42	34
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@H]21	ZINC000852493257	DG	On-Demand	Anodyne	SLC6A3	18	49
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@H]21	ZINC000852493257	DG	On-Demand	Anodyne	LTA4H	25	41
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@H]21	ZINC000852493257	DG	On-Demand	Anodyne	SIGMAR1	28	46
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@H]21	ZINC000852493257	DG	On-Demand	Anodyne	MMP13	34	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@H]21	ZINC000852493257	DG	On-Demand	Anodyne	MMP2	15	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@H]21	ZINC000852493257	DG	On-Demand	Anodyne	MMP9	27	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@H]21	ZINC000852493257	DG	On-Demand	Anodyne	MMP1	31	41
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@@H]21	ZINC000852493259	DG	On-Demand	Anodyne	SLC6A3	18	49
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@@H]21	ZINC000852493259	DG	On-Demand	Anodyne	LTA4H	25	41
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@@H]21	ZINC000852493259	DG	On-Demand	Anodyne	SIGMAR1	28	46
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@@H]21	ZINC000852493259	DG	On-Demand	Anodyne	MMP13	34	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@@H]21	ZINC000852493259	DG	On-Demand	Anodyne	MMP2	15	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@@H]21	ZINC000852493259	DG	On-Demand	Anodyne	MMP9	27	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H]2CCCC[C@@H]21	ZINC000852493259	DG	On-Demand	Anodyne	MMP1	31	41
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@H]12	ZINC000852493261	DG	On-Demand	Anodyne	SLC6A3	18	49
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@H]12	ZINC000852493261	DG	On-Demand	Anodyne	LTA4H	25	41
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@H]12	ZINC000852493261	DG	On-Demand	Anodyne	SIGMAR1	28	46
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@H]12	ZINC000852493261	DG	On-Demand	Anodyne	MMP13	34	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@H]12	ZINC000852493261	DG	On-Demand	Anodyne	MMP2	15	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@H]12	ZINC000852493261	DG	On-Demand	Anodyne	MMP9	27	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@H]12	ZINC000852493261	DG	On-Demand	Anodyne	MMP1	31	41
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852493262	DG	On-Demand	Anodyne	SLC6A3	18	49
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852493262	DG	On-Demand	Anodyne	LTA4H	25	41
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852493262	DG	On-Demand	Anodyne	SIGMAR1	28	46
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852493262	DG	On-Demand	Anodyne	MMP13	34	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852493262	DG	On-Demand	Anodyne	MMP2	15	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852493262	DG	On-Demand	Anodyne	MMP9	27	40
COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852493262	DG	On-Demand	Anodyne	MMP1	31	41
Cc1ccncc1CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852493311	FF	On-Demand	Clean	EPHB4	67	37
Cc1ccncc1CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852493311	FF	On-Demand	Clean	STAT6	51	32
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493314	EF	On-Demand	Anodyne	FKBP1A	40	41
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493314	EF	On-Demand	Anodyne	SLC6A3	27	42
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493314	EF	On-Demand	Anodyne	PREP	32	41
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493314	EF	On-Demand	Anodyne	SLC12A5	69	39
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493316	EF	On-Demand	Anodyne	FKBP1A	40	41
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493316	EF	On-Demand	Anodyne	SLC6A3	27	42
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493316	EF	On-Demand	Anodyne	PREP	32	41
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493316	EF	On-Demand	Anodyne	SLC12A5	69	39
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493318	EF	On-Demand	Anodyne	FKBP1A	40	41
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493318	EF	On-Demand	Anodyne	SLC6A3	27	42
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493318	EF	On-Demand	Anodyne	PREP	32	41
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493318	EF	On-Demand	Anodyne	SLC12A5	69	39
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493320	EF	On-Demand	Anodyne	FKBP1A	40	41
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493320	EF	On-Demand	Anodyne	SLC6A3	27	42
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493320	EF	On-Demand	Anodyne	PREP	32	41
COC(=O)[C@@H]1CCN(CC(=O)OCc2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493320	EF	On-Demand	Anodyne	SLC12A5	69	39
NC(=O)C1(NC[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCOCC1	ZINC000852493323	ED	On-Demand	Anodyne	LUCI_PHOPY	67	45
NC(=O)C1(NC[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCOCC1	ZINC000852493325	ED	On-Demand	Anodyne	LUCI_PHOPY	67	45
Cc1ccncc1CCNC(=O)NCC[C@H](O)c1ccccc1	ZINC000852493348	DE	On-Demand	Anodyne	TBXAS1	20	40
Cc1ccncc1CCNC(=O)NCC[C@H](O)c1ccccc1	ZINC000852493348	DE	On-Demand	Anodyne	KCNA5	19	44
Cc1ccncc1CCNC(=O)NCC[C@@H](O)c1ccccc1	ZINC000852493350	DE	On-Demand	Anodyne	TBXAS1	20	40
Cc1ccncc1CCNC(=O)NCC[C@@H](O)c1ccccc1	ZINC000852493350	DE	On-Demand	Anodyne	KCNA5	19	44
Cc1ccncc1CCNC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852493354	EH	On-Demand	Anodyne	LIPE	16	40
Cc1ccncc1CCNC(=O)N1CCC[C@H](c2ccccc2)CC1	ZINC000852493354	EH	On-Demand	Anodyne	EPHX2	26	43
Cc1ccncc1CCNC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852493355	EH	On-Demand	Anodyne	LIPE	16	40
Cc1ccncc1CCNC(=O)N1CCC[C@@H](c2ccccc2)CC1	ZINC000852493355	EH	On-Demand	Anodyne	EPHX2	26	43
Cc1ccncc1CCNC(=O)NNC(=O)CCc1ccccc1	ZINC000852493369	ED	On-Demand	Reactive	BRS3	19	44
CC(C)(C)OC(=O)N1CCC(CCCNC2(C(N)=O)CCOCC2)CC1	ZINC000852493404	FE	On-Demand	Anodyne	GPR119	29	48
Cc1ccncc1CCNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852493417	EH	On-Demand	Anodyne	F2	15	40
Cc1ccncc1CCNC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1	ZINC000852493417	EH	On-Demand	Anodyne	ADRA1A	45	35
Cc1ccncc1CCNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852493418	EH	On-Demand	Anodyne	F2	15	40
Cc1ccncc1CCNC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1	ZINC000852493418	EH	On-Demand	Anodyne	ADRA1A	45	35
Cc1ccncc1CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852493419	FH	On-Demand	Anodyne	HTR1D	43	45
Cc1ccncc1CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852493419	FH	On-Demand	Anodyne	HTR1B	29	45
Cc1ccncc1CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852493419	FH	On-Demand	Anodyne	MPO	66	38
Cc1ccncc1CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12	ZINC000852493419	FH	On-Demand	Anodyne	MAPT	16	46
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cnccc2C)c1	ZINC000852493425	EF	On-Demand	Clean	THRB	44	34
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cnccc2C)c1	ZINC000852493425	EF	On-Demand	Clean	NQO2	25	42
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cnccc2C)c1	ZINC000852493425	EF	On-Demand	Clean	MTNR1A	56	42
COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cnccc2C)c1	ZINC000852493425	EF	On-Demand	Clean	MTNR1B	47	39
COc1ccc(O)c([C@H](C)NC(=O)NCCc2cnccc2C)c1	ZINC000852493426	EF	On-Demand	Clean	THRB	44	34
COc1ccc(O)c([C@H](C)NC(=O)NCCc2cnccc2C)c1	ZINC000852493426	EF	On-Demand	Clean	NQO2	25	42
COc1ccc(O)c([C@H](C)NC(=O)NCCc2cnccc2C)c1	ZINC000852493426	EF	On-Demand	Clean	MTNR1A	56	42
COc1ccc(O)c([C@H](C)NC(=O)NCCc2cnccc2C)c1	ZINC000852493426	EF	On-Demand	Clean	MTNR1B	47	39
NC(=O)C1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1	ZINC000852493431	GB	On-Demand	Bother	SSTR1	42	45
Cc1ccncc1CCNC(=O)N1CCc2cc(-c3ccccc3)oc2C1	ZINC000852493449	FH	On-Demand	Anodyne	P2RY14	48	36
Cc1ccncc1CCNC(=O)NCc1ccc(N(C)C)cc1	ZINC000852493454	DE	On-Demand	Clean	NAMPT	30	40
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852493471	FD	On-Demand	Anodyne	NQO2	28	40
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852493471	FD	On-Demand	Anodyne	MTNR1A	59	44
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2cnccc2C)c1	ZINC000852493471	FD	On-Demand	Anodyne	MTNR1B	52	38
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000852493473	FF	On-Demand	Anodyne	GPR119	32	49
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000852493474	FF	On-Demand	Anodyne	GPR119	32	49
NC(=O)C1(NCC(=O)Nc2ccc(N3CCCCCC3)cc2)CCOCC1	ZINC000852493487	FD	On-Demand	Anodyne	STAT6	53	33
Cc1ccncc1CCNC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852493489	GD	On-Demand	Anodyne	TBXAS1	30	42
Cc1ccncc1CCNC(=O)NCCNS(=O)(=O)Cc1ccccc1	ZINC000852493489	GD	On-Demand	Anodyne	NAMPT	28	46
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000852493491	GE	On-Demand	Clean	NAMPT	40	36
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000852493492	GE	On-Demand	Clean	NAMPT	40	36
CCCCC[C@@H](C)NC(=O)CNC1(C(N)=O)CCOCC1	ZINC000852493522	CC	On-Demand	Anodyne	NOD1	40	32
Cc1ccncc1CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852493525	FE	On-Demand	Bother	SSTR1	42	41
Cc1ccncc1CCNC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000852493526	FF	On-Demand	Reactive	EPHX2	18	40
Cc1ccncc1CCNC(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1	ZINC000852493562	GG	On-Demand	Anodyne	GPR119	38	44
Cc1ccncc1CCNC(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1	ZINC000852493563	GG	On-Demand	Anodyne	GPR119	38	44
COc1ccc([C@@H](O)CNC(=O)NCCc2cnccc2C)cc1	ZINC000852493568	ED	On-Demand	Anodyne	NQO2	18	41
COc1ccc([C@@H](O)CNC(=O)NCCc2cnccc2C)cc1	ZINC000852493568	ED	On-Demand	Anodyne	MTNR1A	48	41
Cc1cccc(C(=O)NNC(=O)CNC2(C(N)=O)CCOCC2)c1	ZINC000852493589	EB	On-Demand	Reactive	KCNK3	52	38
Cc1cccc(C(=O)NNC(=O)CNC2(C(N)=O)CCOCC2)c1	ZINC000852493589	EB	On-Demand	Reactive	KCNK9	42	38
COc1ccc2c(CN3CC[C@H]4NC(=O)CC[C@H]4C3)cc(=O)oc2c1	ZINC000852493614	ED	On-Demand	Anodyne	CYP11B1	17	41
COc1ccc2c(CN3CC[C@@H]4NC(=O)CC[C@H]4C3)cc(=O)oc2c1	ZINC000852493615	ED	On-Demand	Anodyne	CYP11B1	17	41
COc1ccc2c(CN3CC[C@H]4NC(=O)CC[C@@H]4C3)cc(=O)oc2c1	ZINC000852493616	ED	On-Demand	Anodyne	CYP11B1	17	41
COc1ccc2c(CN3CC[C@@H]4NC(=O)CC[C@@H]4C3)cc(=O)oc2c1	ZINC000852493617	ED	On-Demand	Anodyne	CYP11B1	17	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)[C@H]2CCCC[C@H]21	ZINC000852493651	FG	On-Demand	Anodyne	OPRL1	35	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)[C@H]2CCCC[C@H]21	ZINC000852493651	FG	On-Demand	Anodyne	SLC6A3	25	40
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)[C@@H]2CCCC[C@H]12	ZINC000852493654	FG	On-Demand	Anodyne	OPRL1	35	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)[C@@H]2CCCC[C@H]12	ZINC000852493654	FG	On-Demand	Anodyne	SLC6A3	25	40
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)[C@@H]2CCCC[C@@H]12	ZINC000852493655	FG	On-Demand	Anodyne	OPRL1	35	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)[C@@H]2CCCC[C@@H]12	ZINC000852493655	FG	On-Demand	Anodyne	SLC6A3	25	40
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)[C@H]2CCCC[C@@H]21	ZINC000852493657	FG	On-Demand	Anodyne	OPRL1	35	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2Cl)[C@H]2CCCC[C@@H]21	ZINC000852493657	FG	On-Demand	Anodyne	SLC6A3	25	40
NC(=O)C1(NCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1	ZINC000852493676	EC	On-Demand	Anodyne	MMP13	18	48
NC(=O)C1(NCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1	ZINC000852493676	EC	On-Demand	Anodyne	MMP2	15	48
NC(=O)C1(NCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1	ZINC000852493676	EC	On-Demand	Anodyne	MMP14	17	48
NC(=O)C1(NCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1	ZINC000852493676	EC	On-Demand	Anodyne	MMP10	16	48
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1cccnc1Cl	ZINC000852493678	DD	On-Demand	Anodyne	G2YM83_BOTF4	52	34
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1cccnc1Cl	ZINC000852493681	DD	On-Demand	Anodyne	G2YM83_BOTF4	52	34
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1cccnc1Cl	ZINC000852493683	DD	On-Demand	Anodyne	G2YM83_BOTF4	52	34
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1cccnc1Cl	ZINC000852493685	DD	On-Demand	Anodyne	G2YM83_BOTF4	52	34
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852493693	FE	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC[C@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852493695	FE	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)C1	ZINC000852493697	FE	On-Demand	Anodyne	GPR119	28	41
CC(C)(C)OC(=O)N1CC[C@H](CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1	ZINC000852493698	FE	On-Demand	Anodyne	GPR119	28	41
Cc1cc(C(=O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)c(C)n1Cc1ccc(F)cc1	ZINC000852493699	GG	On-Demand	Anodyne	CCR3	42	34
Cc1cc(C(=O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C)n1Cc1ccc(F)cc1	ZINC000852493700	GG	On-Demand	Anodyne	CCR3	42	34
Cc1ccncc1CCNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000852493702	GF	On-Demand	Anodyne	GPR119	15	40
Cc1cc(C(=O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C)n1Cc1ccc(F)cc1	ZINC000852493703	GG	On-Demand	Anodyne	CCR3	42	34
Cc1ccncc1CCNC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000852493704	GF	On-Demand	Anodyne	GPR119	15	40
Cc1cc(C(=O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C)n1Cc1ccc(F)cc1	ZINC000852493705	GG	On-Demand	Anodyne	CCR3	42	34
Cc1ccncc1CCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000852493706	GF	On-Demand	Anodyne	GPR119	15	40
Cc1ccncc1CCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000852493707	GF	On-Demand	Anodyne	GPR119	15	40
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852493730	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852493732	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852493734	GF	On-Demand	Anodyne	CACNA1I	42	33
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](CN2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852493736	GF	On-Demand	Anodyne	CACNA1I	42	33
Cc1ccncc1CCNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000852493740	GF	On-Demand	Anodyne	GPR119	27	46
Cc1ccncc1CCNC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000852493741	GF	On-Demand	Anodyne	GPR119	27	46
Cc1ccncc1CCNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000852493742	GF	On-Demand	Anodyne	GPR119	27	46
COc1ccc2c(CNC3(C(N)=O)CCOCC3)cc(=O)oc2c1	ZINC000852493761	EC	On-Demand	Anodyne	MAOA	49	38
COc1ccc2c(CNC3(C(N)=O)CCOCC3)cc(=O)oc2c1	ZINC000852493761	EC	On-Demand	Anodyne	MAOB	32	44
NC(=O)C1(NCC(=O)OCc2ccccc2)CCOCC1	ZINC000852493763	CC	On-Demand	Anodyne	SLC12A5	59	36
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852493821	GG	On-Demand	Anodyne	GPR119	31	47
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852493822	GG	On-Demand	Anodyne	GPR119	31	47
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852493823	GG	On-Demand	Anodyne	GPR119	31	47
CC(C)(C)OC(=O)N1CCC(CCCN2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852493824	GG	On-Demand	Anodyne	GPR119	31	47
O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc(Cl)c3)CC[C@H]2N1	ZINC000852493844	DD	On-Demand	Anodyne	CYP3A4	47	35
O=C1CC[C@@H]2CN(C[C@H](O)c3cccc(Cl)c3)CC[C@@H]2N1	ZINC000852493845	DD	On-Demand	Anodyne	CYP3A4	47	35
O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc(Cl)c3)CC[C@@H]2N1	ZINC000852493846	DD	On-Demand	Anodyne	CYP3A4	47	35
O=C1CC[C@@H]2CN(C[C@H](O)c3cccc(Cl)c3)CC[C@H]2N1	ZINC000852493847	DD	On-Demand	Anodyne	CYP3A4	47	35
CC(C)(C)OC(=O)N1CCN(CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852493866	FD	On-Demand	Anodyne	GPR119	33	40
CC(C)(C)OC(=O)N1CCN(CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852493867	FD	On-Demand	Anodyne	GPR119	33	40
CC(C)(C)OC(=O)N1CCN(CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852493868	FD	On-Demand	Anodyne	GPR119	33	40
CC(C)(C)OC(=O)N1CCN(CCN2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852493869	FD	On-Demand	Anodyne	GPR119	33	40
NC(=O)C1(NC[C@@H](O)c2cccc(Cl)c2)CCOCC1	ZINC000852493903	CC	On-Demand	Anodyne	ADRB1	28	42
NC(=O)C1(NC[C@@H](O)c2cccc(Cl)c2)CCOCC1	ZINC000852493903	CC	On-Demand	Anodyne	ADRB3	42	41
NC(=O)C1(NC[C@@H](O)c2cccc(Cl)c2)CCOCC1	ZINC000852493903	CC	On-Demand	Anodyne	CYP3A4	44	35
NC(=O)C1(NC[C@H](O)c2cccc(Cl)c2)CCOCC1	ZINC000852493904	CC	On-Demand	Anodyne	ADRB1	28	42
NC(=O)C1(NC[C@H](O)c2cccc(Cl)c2)CCOCC1	ZINC000852493904	CC	On-Demand	Anodyne	ADRB3	42	41
NC(=O)C1(NC[C@H](O)c2cccc(Cl)c2)CCOCC1	ZINC000852493904	CC	On-Demand	Anodyne	CYP3A4	44	35
NC(=O)C1(NCC(=O)Nc2ccc(N3CCCC3)cc2)CCOCC1	ZINC000852493913	EC	On-Demand	Anodyne	STAT6	54	33
CC(C)(C)OC(=O)N1CC[C@@H](CCNC2(C(N)=O)CCOCC2)C1	ZINC000852493914	ED	On-Demand	Anodyne	GPR119	22	40
CC(C)(C)OC(=O)N1CC[C@H](CCNC2(C(N)=O)CCOCC2)C1	ZINC000852493915	ED	On-Demand	Anodyne	GPR119	22	40
CC(=O)c1ccc(N2CCN(C(=O)NCCc3cnccc3C)CC2)c(F)c1	ZINC000852493933	GF	On-Demand	Anodyne	NPY2R	53	35
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493941	EG	On-Demand	Anodyne	SLC6A4	20	40
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493941	EG	On-Demand	Anodyne	SLC6A3	62	44
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493941	EG	On-Demand	Anodyne	CCR5	36	40
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493942	EG	On-Demand	Anodyne	SLC6A4	20	40
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493942	EG	On-Demand	Anodyne	SLC6A3	62	44
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493942	EG	On-Demand	Anodyne	CCR5	36	40
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493943	EG	On-Demand	Anodyne	SLC6A4	20	40
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493943	EG	On-Demand	Anodyne	SLC6A3	62	44
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493943	EG	On-Demand	Anodyne	CCR5	36	40
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493944	EG	On-Demand	Anodyne	SLC6A4	20	40
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493944	EG	On-Demand	Anodyne	SLC6A3	62	44
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493944	EG	On-Demand	Anodyne	CCR5	36	40
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493945	EG	On-Demand	Anodyne	SLC6A4	20	40
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493945	EG	On-Demand	Anodyne	SLC6A3	62	44
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493945	EG	On-Demand	Anodyne	CCR5	36	40
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493946	EG	On-Demand	Anodyne	SLC6A4	20	40
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493946	EG	On-Demand	Anodyne	SLC6A3	62	44
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493946	EG	On-Demand	Anodyne	CCR5	36	40
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493947	EG	On-Demand	Anodyne	SLC6A4	20	40
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493947	EG	On-Demand	Anodyne	SLC6A3	62	44
COC(=O)[C@@H]1CCN(CC[C@H](O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493947	EG	On-Demand	Anodyne	CCR5	36	40
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493948	EG	On-Demand	Anodyne	SLC6A4	20	40
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493948	EG	On-Demand	Anodyne	SLC6A3	62	44
COC(=O)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493948	EG	On-Demand	Anodyne	CCR5	36	40
COC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493972	FD	On-Demand	Anodyne	SLC6A3	15	40
COC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852493972	FD	On-Demand	Anodyne	AMY2	47	33
COC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493973	FD	On-Demand	Anodyne	SLC6A3	15	40
COC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852493973	FD	On-Demand	Anodyne	AMY2	47	33
COC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493974	FD	On-Demand	Anodyne	SLC6A3	15	40
COC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852493974	FD	On-Demand	Anodyne	AMY2	47	33
COC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493975	FD	On-Demand	Anodyne	SLC6A3	15	40
COC(=O)[C@@H]1CCN(C[C@](O)(C(N)=O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852493975	FD	On-Demand	Anodyne	AMY2	47	33
Cc1ccncc1CCNC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852493992	EE	On-Demand	Anodyne	C3AR1	40	38
Cc1ccncc1CCNC(=O)NC1CCN(C(=O)OC(C)C)CC1	ZINC000852493992	EE	On-Demand	Anodyne	GPR119	38	46
Cc1ccncc1CCNC(=O)NCC(=O)NCc1ccccc1	ZINC000852493997	ED	On-Demand	Anodyne	KCNA5	16	41
Cc1ccncc1CCNC(=O)NCC(=O)NCc1ccccc1	ZINC000852493997	ED	On-Demand	Anodyne	BRS3	18	40
Cc1ccncc1CCNC(=O)NCC(=O)NCc1ccccc1	ZINC000852493997	ED	On-Demand	Anodyne	NAMPT	35	44
N#CCOc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852494012	CD	On-Demand	Mild	SIGMAR1	15	42
N#CCOc1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852494013	CD	On-Demand	Mild	SIGMAR1	15	42
N#CCOc1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852494014	CD	On-Demand	Mild	SIGMAR1	15	42
N#CCOc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852494015	CD	On-Demand	Mild	SIGMAR1	15	42
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852494059	FC	On-Demand	Reactive	DRD4	41	32
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852494059	FC	On-Demand	Reactive	CACNA1I	47	42
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852494062	FC	On-Demand	Reactive	DRD4	41	32
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852494062	FC	On-Demand	Reactive	CACNA1I	47	42
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852494063	FC	On-Demand	Reactive	DRD4	41	32
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852494063	FC	On-Demand	Reactive	CACNA1I	47	42
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852494066	FC	On-Demand	Reactive	DRD4	41	32
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1cccc(Cl)c1	ZINC000852494066	FC	On-Demand	Reactive	CACNA1I	47	42
O=C1CC[C@@H]2CN(CCOc3cccc(F)c3)CC[C@@H]2N1	ZINC000852494094	CD	On-Demand	Anodyne	DRD2	21	45
O=C1CC[C@@H]2CN(CCOc3cccc(F)c3)CC[C@@H]2N1	ZINC000852494094	CD	On-Demand	Anodyne	CHRNA10	43	42
O=C1CC[C@@H]2CN(CCOc3cccc(F)c3)CC[C@H]2N1	ZINC000852494097	CD	On-Demand	Anodyne	DRD2	21	45
O=C1CC[C@@H]2CN(CCOc3cccc(F)c3)CC[C@H]2N1	ZINC000852494097	CD	On-Demand	Anodyne	CHRNA10	43	42
O=C1CC[C@H]2CN(CCOc3cccc(F)c3)CC[C@H]2N1	ZINC000852494098	CD	On-Demand	Anodyne	DRD2	21	45
O=C1CC[C@H]2CN(CCOc3cccc(F)c3)CC[C@H]2N1	ZINC000852494098	CD	On-Demand	Anodyne	CHRNA10	43	42
O=C1CC[C@H]2CN(CCOc3cccc(F)c3)CC[C@@H]2N1	ZINC000852494100	CD	On-Demand	Anodyne	DRD2	21	45
O=C1CC[C@H]2CN(CCOc3cccc(F)c3)CC[C@@H]2N1	ZINC000852494100	CD	On-Demand	Anodyne	CHRNA10	43	42
COc1ccc(N2CCN(C(=O)CNC3(C(N)=O)CCOCC3)CC2)cc1	ZINC000852494159	GB	On-Demand	Clean	MMP13	27	47
COc1ccc(N2CCN(C(=O)CNC3(C(N)=O)CCOCC3)CC2)cc1	ZINC000852494159	GB	On-Demand	Clean	MMP9	15	41
Cc1ccncc1CCNC(=O)NC[C@H](O)c1ccccc1	ZINC000852494171	CD	On-Demand	Anodyne	ADRB1	24	43
Cc1ccncc1CCNC(=O)NC[C@H](O)c1ccccc1	ZINC000852494171	CD	On-Demand	Anodyne	ADRB3	58	44
Cc1ccncc1CCNC(=O)NC[C@H](O)c1ccccc1	ZINC000852494171	CD	On-Demand	Anodyne	KCNA5	21	49
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852494173	CD	On-Demand	Anodyne	ADRB1	24	43
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852494173	CD	On-Demand	Anodyne	ADRB3	58	44
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1ccccc1	ZINC000852494173	CD	On-Demand	Anodyne	KCNA5	21	49
Cc1ccncc1CCNC(=O)NC[C@H](O)c1cccc(OC(C)C)c1	ZINC000852494176	FF	On-Demand	Anodyne	ADRB3	52	39
Cc1ccncc1CCNC(=O)NC[C@H](O)c1cccc(OC(C)C)c1	ZINC000852494176	FF	On-Demand	Anodyne	KCNA5	16	41
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1	ZINC000852494178	FF	On-Demand	Anodyne	ADRB3	52	39
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1cccc(OC(C)C)c1	ZINC000852494178	FF	On-Demand	Anodyne	KCNA5	16	41
NC(=O)C1(NCc2cc(=O)oc3cc(O)ccc23)CCOCC1	ZINC000852494192	DC	On-Demand	Anodyne	HSD17B3	36	51
Cc1ccncc1CCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852494208	EF	On-Demand	Anodyne	ADRB1	42	46
Cc1ccncc1CCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852494208	EF	On-Demand	Anodyne	ADRB3	71	46
Cc1ccncc1CCNC(=O)NC[C@H](O)c1cccc(Cl)c1	ZINC000852494208	EF	On-Demand	Anodyne	CYP3A4	41	31
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852494209	EF	On-Demand	Anodyne	ADRB1	42	46
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852494209	EF	On-Demand	Anodyne	ADRB3	71	46
Cc1ccncc1CCNC(=O)NC[C@@H](O)c1cccc(Cl)c1	ZINC000852494209	EF	On-Demand	Anodyne	CYP3A4	41	31
COC(=O)[C@@H]1CCN(CCS(=O)(=O)Cc2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852494234	GF	On-Demand	Anodyne	SLC6A3	26	40
COC(=O)[C@@H]1CCN(CCS(=O)(=O)Cc2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852494235	GF	On-Demand	Anodyne	SLC6A3	26	40
COC(=O)[C@@H]1CCN(CCS(=O)(=O)Cc2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852494236	GF	On-Demand	Anodyne	SLC6A3	26	40
COC(=O)[C@@H]1CCN(CCS(=O)(=O)Cc2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852494237	GF	On-Demand	Anodyne	SLC6A3	26	40
Cc1ccncc1CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1	ZINC000852494250	ED	On-Demand	Anodyne	SSTR5	40	37
Cc1ccncc1CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1	ZINC000852494251	ED	On-Demand	Anodyne	SSTR5	40	37
NC(=O)C1(NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)CCOCC1	ZINC000852494254	GC	On-Demand	Anodyne	CNR2	18	41
CCOC(=O)N1CCC(NC(=O)NCCc2cnccc2C)CC1	ZINC000852494259	ED	On-Demand	Anodyne	GRIN2B	18	40
CCOC(=O)N1CCC(NC(=O)NCCc2cnccc2C)CC1	ZINC000852494259	ED	On-Demand	Anodyne	SSTR5	40	38
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000852494267	GF	On-Demand	Clean	NAMPT	53	37
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852494271	DF	On-Demand	Anodyne	SLC6A3	48	44
COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852494272	DF	On-Demand	Anodyne	SLC6A3	48	44
COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852494273	DF	On-Demand	Anodyne	SLC6A3	48	44
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852494274	DF	On-Demand	Anodyne	SLC6A3	48	44
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852494275	DF	On-Demand	Anodyne	SLC6A3	48	44
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852494276	DF	On-Demand	Anodyne	SLC6A3	48	44
COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852494277	DF	On-Demand	Anodyne	SLC6A3	48	44
COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852494278	DF	On-Demand	Anodyne	SLC6A3	48	44
Cc1ccncc1CCNC(=O)NNC(=O)C1CCC1	ZINC000852494291	CD	On-Demand	Reactive	TBK1	40	30
Cc1ccncc1CCNC(=O)N1CCc2c(nnn2-c2ccccc2)C1	ZINC000852494320	FE	On-Demand	Anodyne	P2RY14	40	34
Cc1ccncc1CCNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000852494331	GF	On-Demand	Anodyne	GPR119	18	43
Cc1ccncc1CCNC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000852494332	GF	On-Demand	Anodyne	GPR119	18	43
Cc1ccncc1CCNC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C	ZINC000852494333	GF	On-Demand	Anodyne	GPR119	18	43
Cc1ccncc1CCNC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C	ZINC000852494334	GF	On-Demand	Anodyne	GPR119	18	43
Cc1ccncc1CCNC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C	ZINC000852494349	GG	On-Demand	Anodyne	GPR119	23	42
Cc1ccncc1CCNC(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1	ZINC000852494354	GG	On-Demand	Anodyne	GPR119	18	41
Cc1ccncc1CCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852494373	GD	On-Demand	Anodyne	GPR119	21	44
Cc1ccncc1CCNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000852494382	GD	On-Demand	Anodyne	GPR119	21	44
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852494429	EC	On-Demand	Anodyne	ENPP1	45	31
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852494431	EC	On-Demand	Anodyne	ENPP1	45	31
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852494434	EC	On-Demand	Anodyne	ENPP1	45	31
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc2nc(O)[nH]c2c1	ZINC000852494437	EC	On-Demand	Anodyne	ENPP1	45	31
NC(=O)[C@](O)(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)c1ccccc1	ZINC000852494459	DB	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)c1ccccc1	ZINC000852494462	DB	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)c1ccccc1	ZINC000852494464	DB	On-Demand	Anodyne	CYP2J2	44	31
NC(=O)[C@](O)(CN1CC[C@H]2NC(=O)CC[C@H]2C1)c1ccccc1	ZINC000852494466	DB	On-Demand	Anodyne	CYP2J2	44	31
O=C(NCCc1ccnc2ccccc12)NCC1SCCS1	ZINC000852494504	EF	On-Demand	Anodyne	MTNR1A	21	42
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1COCCO1	ZINC000852494529	FD	On-Demand	Anodyne	MTOR	61	39
CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1COCCO1	ZINC000852494531	FD	On-Demand	Anodyne	MTOR	61	39
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852494557	FC	On-Demand	Anodyne	CCR3	28	45
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852494561	FC	On-Demand	Anodyne	CCR3	28	45
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852494563	FC	On-Demand	Anodyne	CCR3	28	45
CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852494566	FC	On-Demand	Anodyne	CCR3	28	45
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852494574	GD	On-Demand	Anodyne	CNR2	22	42
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852494575	GD	On-Demand	Anodyne	CNR2	22	42
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852494577	GD	On-Demand	Anodyne	CNR2	22	42
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852494578	GD	On-Demand	Anodyne	CNR2	22	42
CC(C)(C)OC(=O)N1CCC(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852494604	FE	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852494605	FE	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852494606	FE	On-Demand	Anodyne	GPR119	33	42
CC(C)(C)OC(=O)N1CCC(CN2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852494607	FE	On-Demand	Anodyne	GPR119	33	42
COc1ccc([C@@H](O)C2CCN(C(=O)NCCc3cnccc3C)CC2)cc1	ZINC000852494615	GG	On-Demand	Anodyne	C3AR1	22	42
COC(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H]2CCCC[C@H]21	ZINC000852494628	GH	On-Demand	Mild	PTGER1	42	38
COC(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H]2CCCC[C@@H]21	ZINC000852494629	GH	On-Demand	Mild	PTGER1	42	38
COC(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCCC[C@H]12	ZINC000852494630	GH	On-Demand	Mild	PTGER1	42	38
COC(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCCC[C@@H]12	ZINC000852494631	GH	On-Demand	Mild	PTGER1	42	38
COc1ccc2c(CN(C)C[C@H]3COCCO3)cc(=O)oc2c1	ZINC000852494649	DD	On-Demand	Anodyne	MAOA	46	33
COc1ccc2c(CN(C)C[C@H]3COCCO3)cc(=O)oc2c1	ZINC000852494649	DD	On-Demand	Anodyne	MAOB	24	42
COc1ccc2c(CN(C)C[C@@H]3COCCO3)cc(=O)oc2c1	ZINC000852494653	DD	On-Demand	Anodyne	MAOA	46	33
COc1ccc2c(CN(C)C[C@@H]3COCCO3)cc(=O)oc2c1	ZINC000852494653	DD	On-Demand	Anodyne	MAOB	24	42
Cc1ccncc1CCNC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000852494707	FG	On-Demand	Anodyne	EPHX2	17	49
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@H]21	ZINC000852494709	GD	On-Demand	Anodyne	CA2	70	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@H]21	ZINC000852494709	GD	On-Demand	Anodyne	CA1	67	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@H]21	ZINC000852494709	GD	On-Demand	Anodyne	CA7	44	37
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@H]21	ZINC000852494709	GD	On-Demand	Anodyne	HRH3	19	53
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@H]21	ZINC000852494709	GD	On-Demand	Anodyne	CA4	42	37
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@H]21	ZINC000852494709	GD	On-Demand	Anodyne	CA14	40	39
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@H]21	ZINC000852494709	GD	On-Demand	Anodyne	CA12	50	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@H]21	ZINC000852494709	GD	On-Demand	Anodyne	CA9	57	40
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494712	GD	On-Demand	Anodyne	CA2	70	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494712	GD	On-Demand	Anodyne	CA1	67	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494712	GD	On-Demand	Anodyne	CA7	44	37
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494712	GD	On-Demand	Anodyne	HRH3	19	53
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494712	GD	On-Demand	Anodyne	CA4	42	37
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494712	GD	On-Demand	Anodyne	CA14	40	39
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494712	GD	On-Demand	Anodyne	CA12	50	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494712	GD	On-Demand	Anodyne	CA9	57	40
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494714	GD	On-Demand	Anodyne	CA2	70	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494714	GD	On-Demand	Anodyne	CA1	67	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494714	GD	On-Demand	Anodyne	CA7	44	37
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494714	GD	On-Demand	Anodyne	HRH3	19	53
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494714	GD	On-Demand	Anodyne	CA4	42	37
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494714	GD	On-Demand	Anodyne	CA14	40	39
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494714	GD	On-Demand	Anodyne	CA12	50	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494714	GD	On-Demand	Anodyne	CA9	57	40
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494716	GD	On-Demand	Anodyne	CA2	70	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494716	GD	On-Demand	Anodyne	CA1	67	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494716	GD	On-Demand	Anodyne	CA7	44	37
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494716	GD	On-Demand	Anodyne	HRH3	19	53
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494716	GD	On-Demand	Anodyne	CA4	42	37
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494716	GD	On-Demand	Anodyne	CA14	40	39
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494716	GD	On-Demand	Anodyne	CA12	50	41
COC(=O)[C@@H]1CCN(CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494716	GD	On-Demand	Anodyne	CA9	57	40
CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H]1COCCO1	ZINC000852494719	GC	On-Demand	Bother	SSTR1	63	50
CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@@H]1COCCO1	ZINC000852494721	GC	On-Demand	Bother	SSTR1	63	50
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494736	EF	On-Demand	Anodyne	SLC6A3	46	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)[C@H]2CCCC[C@H]21	ZINC000852494738	EF	On-Demand	Anodyne	SLC6A3	46	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494740	EF	On-Demand	Anodyne	SLC6A3	46	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494742	EF	On-Demand	Anodyne	SLC6A3	46	41
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1ccccc1Cl	ZINC000852494756	FC	On-Demand	Reactive	NR2E3	60	34
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1ccccc1Cl	ZINC000852494758	FC	On-Demand	Reactive	NR2E3	60	34
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1ccccc1Cl	ZINC000852494760	FC	On-Demand	Reactive	NR2E3	60	34
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1ccccc1Cl	ZINC000852494762	FC	On-Demand	Reactive	NR2E3	60	34
CC(C)(C)OC(=O)N1CCc2ccc(CN3CC[C@H]4NC(=O)CC[C@H]4C3)cc2C1	ZINC000852494786	GG	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCc2ccc(CN3CC[C@@H]4NC(=O)CC[C@H]4C3)cc2C1	ZINC000852494789	GG	On-Demand	Anodyne	GPR119	26	40
CC(C)(C)OC(=O)N1CCc2ccc(CN3CC[C@@H]4NC(=O)CC[C@@H]4C3)cc2C1	ZINC000852494793	GG	On-Demand	Anodyne	GPR119	26	40
Cc1ccncc1CCNC(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000852494794	FE	On-Demand	Anodyne	GPR119	32	43
CC(C)(C)OC(=O)N1CCc2ccc(CN3CC[C@H]4NC(=O)CC[C@@H]4C3)cc2C1	ZINC000852494795	GG	On-Demand	Anodyne	GPR119	26	40
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852494855	FD	On-Demand	Anodyne	MTOR	70	38
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852494855	FD	On-Demand	Anodyne	EPHX2	16	42
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852494858	FD	On-Demand	Anodyne	MTOR	70	38
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852494858	FD	On-Demand	Anodyne	EPHX2	16	42
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852494860	FD	On-Demand	Anodyne	MTOR	70	38
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852494860	FD	On-Demand	Anodyne	EPHX2	16	42
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852494862	FD	On-Demand	Anodyne	MTOR	70	38
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(N2CCOCC2)cc1	ZINC000852494862	FD	On-Demand	Anodyne	EPHX2	16	42
CCOC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	ZINC000852494892	EF	On-Demand	Anodyne	EPHX2	36	41
CCOC(=O)N1CCC(NC(=O)NC[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1	ZINC000852494892	EF	On-Demand	Anodyne	CCR8	24	40
CCOC(=O)N1CCC(NC(=O)NCC2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000852494893	EF	On-Demand	Anodyne	EPHX2	36	41
CCOC(=O)N1CCC(NC(=O)NCC2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000852494893	EF	On-Demand	Anodyne	CCR8	24	40
CCOC(=O)N1CCC(NC(=O)NCC2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000852494894	EF	On-Demand	Anodyne	EPHX2	36	41
CCOC(=O)N1CCC(NC(=O)NCC2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000852494894	EF	On-Demand	Anodyne	CCR8	24	40
NC(=O)COc1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852494905	DC	On-Demand	Anodyne	SIGMAR1	18	41
NC(=O)COc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852494906	DC	On-Demand	Anodyne	SIGMAR1	18	41
NC(=O)COc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852494907	DC	On-Demand	Anodyne	SIGMAR1	18	41
NC(=O)COc1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852494908	DC	On-Demand	Anodyne	SIGMAR1	18	41
Cc1ccncc1CCNC(=O)N1CC[C@@]2(CCc3ccccc3O2)C1	ZINC000852494912	FG	On-Demand	Anodyne	SCD1	15	42
Cc1ccncc1CCNC(=O)N1CC[C@]2(CCc3ccccc3O2)C1	ZINC000852494913	FG	On-Demand	Anodyne	SCD1	15	42
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@H]2CCCC[C@@H]21	ZINC000852494940	FG	On-Demand	Anodyne	SLC6A3	27	49
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@H]2CCCC[C@@H]21	ZINC000852494940	FG	On-Demand	Anodyne	ADRB3	41	38
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@H]2CCCC[C@@H]21	ZINC000852494940	FG	On-Demand	Anodyne	CYP3A4	40	34
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@H]2CCCC[C@H]21	ZINC000852494941	FG	On-Demand	Anodyne	SLC6A3	27	49
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@H]2CCCC[C@H]21	ZINC000852494941	FG	On-Demand	Anodyne	ADRB3	41	38
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@H]2CCCC[C@H]21	ZINC000852494941	FG	On-Demand	Anodyne	CYP3A4	40	34
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@@H]2CCCC[C@@H]12	ZINC000852494942	FG	On-Demand	Anodyne	SLC6A3	27	49
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@@H]2CCCC[C@@H]12	ZINC000852494942	FG	On-Demand	Anodyne	ADRB3	41	38
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@@H]2CCCC[C@@H]12	ZINC000852494942	FG	On-Demand	Anodyne	CYP3A4	40	34
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@@H]2CCCC[C@H]12	ZINC000852494943	FG	On-Demand	Anodyne	SLC6A3	27	49
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@@H]2CCCC[C@H]12	ZINC000852494943	FG	On-Demand	Anodyne	ADRB3	41	38
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(Cl)c2)[C@@H]2CCCC[C@H]12	ZINC000852494943	FG	On-Demand	Anodyne	CYP3A4	40	34
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(Br)cc2)[C@H]2CCCC[C@@H]21	ZINC000852494945	GH	On-Demand	Anodyne	SLC6A3	25	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(Br)cc2)[C@H]2CCCC[C@H]21	ZINC000852494946	GH	On-Demand	Anodyne	SLC6A3	25	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(Br)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852494947	GH	On-Demand	Anodyne	SLC6A3	25	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(Br)cc2)[C@@H]2CCCC[C@H]12	ZINC000852494948	GH	On-Demand	Anodyne	SLC6A3	25	41
COC(=O)[C@@H]1CCN(CC(=O)Nc2cccnc2Cl)[C@H]2CCCC[C@H]21	ZINC000852494971	FF	On-Demand	Anodyne	G2YM83_BOTF4	65	35
COC(=O)[C@@H]1CCN(CC(=O)Nc2cccnc2Cl)[C@@H]2CCCC[C@@H]12	ZINC000852494972	FF	On-Demand	Anodyne	G2YM83_BOTF4	65	35
COC(=O)[C@@H]1CCN(CC(=O)Nc2cccnc2Cl)[C@H]2CCCC[C@@H]21	ZINC000852494973	FF	On-Demand	Anodyne	G2YM83_BOTF4	65	35
COC(=O)[C@@H]1CCN(CC(=O)Nc2cccnc2Cl)[C@@H]2CCCC[C@H]12	ZINC000852494974	FF	On-Demand	Anodyne	G2YM83_BOTF4	65	35
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C	ZINC000852494975	GF	On-Demand	Anodyne	GPR119	18	41
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C	ZINC000852494976	GF	On-Demand	Anodyne	GPR119	18	41
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C	ZINC000852494977	GF	On-Demand	Anodyne	GPR119	18	41
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C	ZINC000852494978	GF	On-Demand	Anodyne	GPR119	18	41
COC(=O)[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@H]2CCCC[C@@H]21	ZINC000852494988	DG	On-Demand	Anodyne	Q8WSF8_APLCA	40	36
COC(=O)[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@H]2CCCC[C@@H]21	ZINC000852494988	DG	On-Demand	Anodyne	NACHRBETA2	51	36
COC(=O)[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@@H]2CCCC[C@H]12	ZINC000852494990	DG	On-Demand	Anodyne	Q8WSF8_APLCA	40	36
COC(=O)[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@@H]2CCCC[C@H]12	ZINC000852494990	DG	On-Demand	Anodyne	NACHRBETA2	51	36
COC(=O)[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@@H]2CCCC[C@@H]12	ZINC000852494992	DG	On-Demand	Anodyne	Q8WSF8_APLCA	40	36
COC(=O)[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@@H]2CCCC[C@@H]12	ZINC000852494992	DG	On-Demand	Anodyne	NACHRBETA2	51	36
COC(=O)[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@H]2CCCC[C@H]21	ZINC000852494994	DG	On-Demand	Anodyne	Q8WSF8_APLCA	40	36
COC(=O)[C@@H]1CCN(Cc2ccc(Cl)nc2)[C@H]2CCCC[C@H]21	ZINC000852494994	DG	On-Demand	Anodyne	NACHRBETA2	51	36
Cc1ccncc1CCNC(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000852495022	FF	On-Demand	Anodyne	GPR119	29	41
Cc1cccc(C(=O)NNC(=O)CN(C)C[C@H]2COCCO2)c1	ZINC000852495057	DC	On-Demand	Reactive	KCNK3	49	36
Cc1cccc(C(=O)NNC(=O)CN(C)C[C@@H]2COCCO2)c1	ZINC000852495065	DC	On-Demand	Reactive	KCNK3	49	36
O=C1CC[C@@H]2CN(C[C@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852495068	CD	On-Demand	Anodyne	OPRK1	19	41
O=C1CC[C@@H]2CN(C[C@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852495068	CD	On-Demand	Anodyne	SLC6A3	15	40
O=C1CC[C@@H]2CN(C[C@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852495070	CD	On-Demand	Anodyne	OPRK1	19	41
O=C1CC[C@@H]2CN(C[C@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852495070	CD	On-Demand	Anodyne	SLC6A3	15	40
O=C1CC[C@H]2CN(C[C@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852495072	CD	On-Demand	Anodyne	OPRK1	19	41
O=C1CC[C@H]2CN(C[C@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852495072	CD	On-Demand	Anodyne	SLC6A3	15	40
O=C1CC[C@@H]2CN(C[C@@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852495075	CD	On-Demand	Anodyne	OPRK1	19	41
O=C1CC[C@@H]2CN(C[C@@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852495075	CD	On-Demand	Anodyne	SLC6A3	15	40
O=C1CC[C@@H]2CN(C[C@@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852495077	CD	On-Demand	Anodyne	OPRK1	19	41
O=C1CC[C@@H]2CN(C[C@@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852495077	CD	On-Demand	Anodyne	SLC6A3	15	40
O=C1CC[C@H]2CN(C[C@@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852495079	CD	On-Demand	Anodyne	OPRK1	19	41
O=C1CC[C@H]2CN(C[C@@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852495079	CD	On-Demand	Anodyne	SLC6A3	15	40
O=C1CC[C@H]2CN(C[C@@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852495080	CD	On-Demand	Anodyne	OPRK1	19	41
O=C1CC[C@H]2CN(C[C@@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852495080	CD	On-Demand	Anodyne	SLC6A3	15	40
O=C1CC[C@H]2CN(C[C@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852495082	CD	On-Demand	Anodyne	OPRK1	19	41
O=C1CC[C@H]2CN(C[C@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852495082	CD	On-Demand	Anodyne	SLC6A3	15	40
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1ccc(F)cc1	ZINC000852495160	EC	On-Demand	Reactive	PLD1	45	38
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1ccc(F)cc1	ZINC000852495160	EC	On-Demand	Reactive	WNT3A	46	35
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1ccc(F)cc1	ZINC000852495161	EC	On-Demand	Reactive	PLD1	45	38
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)NNC(=O)c1ccc(F)cc1	ZINC000852495161	EC	On-Demand	Reactive	WNT3A	46	35
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1ccc(F)cc1	ZINC000852495163	EC	On-Demand	Reactive	PLD1	45	38
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1ccc(F)cc1	ZINC000852495163	EC	On-Demand	Reactive	WNT3A	46	35
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1ccc(F)cc1	ZINC000852495166	EC	On-Demand	Reactive	PLD1	45	38
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)NNC(=O)c1ccc(F)cc1	ZINC000852495166	EC	On-Demand	Reactive	WNT3A	46	35
Cc1ccncc1CCNC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852495280	GF	On-Demand	Anodyne	GPR119	20	42
Cc1ccncc1CCNC(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000852495282	GF	On-Demand	Anodyne	GPR119	20	42
Cc1ccncc1CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495363	GI	On-Demand	Anodyne	TACR1	42	34
Cc1ccncc1CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495363	GI	On-Demand	Anodyne	CCR2	82	39
Cc1ccncc1CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495363	GI	On-Demand	Anodyne	EPHX2	15	45
Cc1ccncc1CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495363	GI	On-Demand	Anodyne	MCHR1	15	40
Cc1ccncc1CCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495363	GI	On-Demand	Anodyne	NAMPT	16	40
Cc1ccncc1CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495368	GI	On-Demand	Anodyne	TACR1	42	34
Cc1ccncc1CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495368	GI	On-Demand	Anodyne	CCR2	82	39
Cc1ccncc1CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495368	GI	On-Demand	Anodyne	EPHX2	15	45
Cc1ccncc1CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495368	GI	On-Demand	Anodyne	MCHR1	15	40
Cc1ccncc1CCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1	ZINC000852495368	GI	On-Demand	Anodyne	NAMPT	16	40
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(OC)ccc23)[C@@H]2CCCC[C@H]12	ZINC000852495401	GG	On-Demand	Anodyne	CYP11B1	16	41
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(OC)ccc23)[C@@H]2CCCC[C@H]12	ZINC000852495401	GG	On-Demand	Anodyne	MAOB	29	48
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(OC)ccc23)[C@@H]2CCCC[C@@H]12	ZINC000852495408	GG	On-Demand	Anodyne	CYP11B1	16	41
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(OC)ccc23)[C@@H]2CCCC[C@@H]12	ZINC000852495408	GG	On-Demand	Anodyne	MAOB	29	48
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(OC)ccc23)[C@H]2CCCC[C@H]21	ZINC000852495414	GG	On-Demand	Anodyne	CYP11B1	16	41
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(OC)ccc23)[C@H]2CCCC[C@H]21	ZINC000852495414	GG	On-Demand	Anodyne	MAOB	29	48
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(OC)ccc23)[C@H]2CCCC[C@@H]21	ZINC000852495421	GG	On-Demand	Anodyne	CYP11B1	16	41
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(OC)ccc23)[C@H]2CCCC[C@@H]21	ZINC000852495421	GG	On-Demand	Anodyne	MAOB	29	48
O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1	ZINC000852495437	DD	On-Demand	Bother	CACNA1D	42	35
O=C1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1	ZINC000852495439	DD	On-Demand	Bother	CACNA1D	42	35
O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1	ZINC000852495440	DD	On-Demand	Bother	CACNA1D	42	35
O=C1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1	ZINC000852495441	DD	On-Demand	Bother	CACNA1D	42	35
O=C1CC[C@H]2CN(C[C@H](O)c3ccccc3Cl)CC[C@@H]2N1	ZINC000852495444	DD	On-Demand	Anodyne	OPRL1	37	41
O=C1CC[C@@H]2CN(C[C@H](O)c3ccccc3Cl)CC[C@H]2N1	ZINC000852495446	DD	On-Demand	Anodyne	OPRL1	37	41
O=C1CC[C@H]2CN(C[C@H](O)c3ccccc3Cl)CC[C@H]2N1	ZINC000852495447	DD	On-Demand	Anodyne	OPRL1	37	41
O=C1CC[C@@H]2CN(C[C@H](O)c3ccccc3Cl)CC[C@@H]2N1	ZINC000852495448	DD	On-Demand	Anodyne	OPRL1	37	41
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000852495467	ED	On-Demand	Anodyne	G2YM83_BOTF4	60	36
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000852495469	ED	On-Demand	Anodyne	G2YM83_BOTF4	60	36
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000852495470	ED	On-Demand	Anodyne	G2YM83_BOTF4	60	36
C[C@H](C(=O)Nc1cccnc1Cl)N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000852495471	ED	On-Demand	Anodyne	G2YM83_BOTF4	60	36
O=C1CC[C@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]2N1	ZINC000852495473	GF	On-Demand	Anodyne	GRIN2B	51	49
O=C1CC[C@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]2N1	ZINC000852495473	GF	On-Demand	Anodyne	TGM2	35	42
O=C1CC[C@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]2N1	ZINC000852495473	GF	On-Demand	Anodyne	F13A1	51	42
O=C1CC[C@@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]2N1	ZINC000852495474	GF	On-Demand	Anodyne	GRIN2B	51	49
O=C1CC[C@@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]2N1	ZINC000852495474	GF	On-Demand	Anodyne	TGM2	35	42
O=C1CC[C@@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]2N1	ZINC000852495474	GF	On-Demand	Anodyne	F13A1	51	42
O=C1CC[C@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]2N1	ZINC000852495476	GF	On-Demand	Anodyne	GRIN2B	51	49
O=C1CC[C@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]2N1	ZINC000852495476	GF	On-Demand	Anodyne	TGM2	35	42
O=C1CC[C@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]2N1	ZINC000852495476	GF	On-Demand	Anodyne	F13A1	51	42
O=C1CC[C@@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]2N1	ZINC000852495477	GF	On-Demand	Anodyne	GRIN2B	51	49
O=C1CC[C@@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]2N1	ZINC000852495477	GF	On-Demand	Anodyne	TGM2	35	42
O=C1CC[C@@H]2CN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]2N1	ZINC000852495477	GF	On-Demand	Anodyne	F13A1	51	42
O=C1CC[C@@H]2CN(Cc3ccc(CF)cc3)CC[C@@H]2N1	ZINC000852495491	CE	On-Demand	Anodyne	SIGMAR1	21	40
O=C1CC[C@H]2CN(Cc3ccc(CF)cc3)CC[C@@H]2N1	ZINC000852495493	CE	On-Demand	Anodyne	SIGMAR1	21	40
O=C1CC[C@@H]2CN(Cc3ccc(CF)cc3)CC[C@H]2N1	ZINC000852495494	CE	On-Demand	Anodyne	SIGMAR1	21	40
O=C1CC[C@H]2CN(Cc3ccc(CF)cc3)CC[C@H]2N1	ZINC000852495495	CE	On-Demand	Anodyne	SIGMAR1	21	40
N#Cc1cccnc1NCCNC(=O)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852495546	GF	On-Demand	Mild	ADRB1	42	33
N#Cc1cccnc1NCCNC(=O)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852495547	GF	On-Demand	Mild	ADRB1	42	33
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)N1CC[C@H](c2ccccn2)C1	ZINC000852495549	FG	On-Demand	Anodyne	RBP4	44	33
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)N1CC[C@@H](c2ccccn2)C1	ZINC000852495550	FG	On-Demand	Anodyne	RBP4	44	33
O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)N1CC[C@@H](c2ccccn2)C1	ZINC000852495551	FG	On-Demand	Anodyne	RBP4	44	33
O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)N1CC[C@H](c2ccccn2)C1	ZINC000852495552	FG	On-Demand	Anodyne	RBP4	44	33
Cc1ccncc1CCNC(=O)NC1CCC(N2CCCCC2)CC1	ZINC000852495558	EG	On-Demand	Anodyne	L3MBTL3	43	33
C[C@H]1CC(CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@H](C)C1	ZINC000852495616	GE	On-Demand	Reactive	EPHX2	17	40
C[C@H]1CC(CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@H](C)C1	ZINC000852495616	GE	On-Demand	Reactive	MTCA1	40	38
C[C@H]1CC(CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@H](C)C1	ZINC000852495616	GE	On-Demand	Reactive	P96878_MYCTU	51	38
C[C@@H]1CC(CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)C1	ZINC000852495617	GE	On-Demand	Reactive	EPHX2	17	40
C[C@@H]1CC(CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)C1	ZINC000852495617	GE	On-Demand	Reactive	MTCA1	40	38
C[C@@H]1CC(CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)C1	ZINC000852495617	GE	On-Demand	Reactive	P96878_MYCTU	51	38
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852495618	GE	On-Demand	Reactive	EPHX2	17	40
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852495618	GE	On-Demand	Reactive	MTCA1	40	38
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1	ZINC000852495618	GE	On-Demand	Reactive	P96878_MYCTU	51	38
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@H]1COCCO1	ZINC000852495820	FE	On-Demand	Anodyne	GRIN2B	43	48
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@H]1COCCO1	ZINC000852495820	FE	On-Demand	Anodyne	PREP	23	42
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@H]1COCCO1	ZINC000852495820	FE	On-Demand	Anodyne	TGM2	25	43
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@H]1COCCO1	ZINC000852495820	FE	On-Demand	Anodyne	F13A1	35	43
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@H]1COCCO1	ZINC000852495820	FE	On-Demand	Anodyne	SLC12A5	52	36
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@@H]1COCCO1	ZINC000852495821	FE	On-Demand	Anodyne	GRIN2B	43	48
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@@H]1COCCO1	ZINC000852495821	FE	On-Demand	Anodyne	PREP	23	42
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@@H]1COCCO1	ZINC000852495821	FE	On-Demand	Anodyne	TGM2	25	43
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@@H]1COCCO1	ZINC000852495821	FE	On-Demand	Anodyne	F13A1	35	43
CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@@H]1COCCO1	ZINC000852495821	FE	On-Demand	Anodyne	SLC12A5	52	36
O=C(NC[C@@H](O)c1ccccc1)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852495847	FF	On-Demand	Anodyne	ADRB1	23	41
O=C(NC[C@@H](O)c1ccccc1)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852495847	FF	On-Demand	Anodyne	ADRB3	43	41
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)NC[C@H](O)c1ccccc1	ZINC000852495848	FF	On-Demand	Anodyne	ADRB1	23	41
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)NC[C@H](O)c1ccccc1	ZINC000852495848	FF	On-Demand	Anodyne	ADRB3	43	41
O=C(NC[C@@H](O)c1ccccc1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852495850	FF	On-Demand	Anodyne	ADRB1	23	41
O=C(NC[C@@H](O)c1ccccc1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852495850	FF	On-Demand	Anodyne	ADRB3	43	41
O=C(NC[C@H](O)c1ccccc1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852495853	FF	On-Demand	Anodyne	ADRB1	23	41
O=C(NC[C@H](O)c1ccccc1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852495853	FF	On-Demand	Anodyne	ADRB3	43	41
COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@H]2CCCC[C@H]21	ZINC000852495855	GD	On-Demand	Reactive	KCNK3	48	34
COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@H]2CCCC[C@H]21	ZINC000852495855	GD	On-Demand	Reactive	KCNK9	40	34
COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@H]2CCCC[C@@H]21	ZINC000852495857	GD	On-Demand	Reactive	KCNK3	48	34
COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@H]2CCCC[C@@H]21	ZINC000852495857	GD	On-Demand	Reactive	KCNK9	40	34
COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H]2CCCC[C@H]12	ZINC000852495859	GD	On-Demand	Reactive	KCNK3	48	34
COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H]2CCCC[C@H]12	ZINC000852495859	GD	On-Demand	Reactive	KCNK9	40	34
COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H]2CCCC[C@@H]12	ZINC000852495861	GD	On-Demand	Reactive	KCNK3	48	34
COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C)c2)[C@@H]2CCCC[C@@H]12	ZINC000852495861	GD	On-Demand	Reactive	KCNK9	40	34
CN(C[C@@H]1COCCO1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000852495862	DE	On-Demand	Anodyne	LUCI_PHOPY	92	51
CN(C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)C[C@@H]1COCCO1	ZINC000852495863	DE	On-Demand	Anodyne	LUCI_PHOPY	92	51
C[C@@H]1CC(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C[C@@H](C)C1	ZINC000852495873	GF	On-Demand	Anodyne	PRSS2	58	30
C[C@@H]1CC(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C[C@@H](C)C1	ZINC000852495873	GF	On-Demand	Anodyne	EPHX2	22	43
C[C@H]1CC(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C[C@H](C)C1	ZINC000852495874	GF	On-Demand	Anodyne	PRSS2	58	30
C[C@H]1CC(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C[C@H](C)C1	ZINC000852495874	GF	On-Demand	Anodyne	EPHX2	22	43
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1	ZINC000852495875	GF	On-Demand	Anodyne	PRSS2	58	30
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1	ZINC000852495875	GF	On-Demand	Anodyne	EPHX2	22	43
CCOC(=O)C1=C(CN(C)C[C@@H]2COCCO2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852495904	GD	On-Demand	Anodyne	SLC27A4	72	34
CCOC(=O)C1=C(CN(C)C[C@H]2COCCO2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852495906	GD	On-Demand	Anodyne	SLC27A4	72	34
CCOC(=O)C1=C(CN(C)C[C@@H]2COCCO2)NC(=O)N[C@H]1c1ccccc1	ZINC000852495908	GD	On-Demand	Anodyne	SLC27A4	72	34
CCOC(=O)C1=C(CN(C)C[C@H]2COCCO2)NC(=O)N[C@H]1c1ccccc1	ZINC000852495910	GD	On-Demand	Anodyne	SLC27A4	72	34
Cc1ccncc1CCNC(=O)N1CCc2cc(Cl)nnc2C1	ZINC000852495933	EE	On-Demand	Anodyne	MAPK1	48	37
Cc1ccncc1CCNC(=O)N1CCc2cc(F)cc(C)c2C1	ZINC000852495935	EG	On-Demand	Anodyne	P2RY14	48	35
COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc3nc(O)[nH]c3c2)[C@@H]2CCCC[C@H]12	ZINC000852495938	GE	On-Demand	Anodyne	ENPP1	56	32
COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc3nc(O)[nH]c3c2)[C@H]2CCCC[C@@H]21	ZINC000852495939	GE	On-Demand	Anodyne	ENPP1	56	32
COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc3nc(O)[nH]c3c2)[C@@H]2CCCC[C@@H]12	ZINC000852495940	GE	On-Demand	Anodyne	ENPP1	56	32
COC(=O)[C@@H]1CCN(CC(=O)Nc2ccc3nc(O)[nH]c3c2)[C@H]2CCCC[C@H]21	ZINC000852495941	GE	On-Demand	Anodyne	ENPP1	56	32
Cc1ccncc1CCNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000852495948	GD	On-Demand	Anodyne	EPHX2	16	46
O=C1CC[C@H]2CN(Cc3cn(Cc4ccccc4)nn3)CC[C@H]2N1	ZINC000852496031	ED	On-Demand	Anodyne	SIGMAR1	33	42
O=C1CC[C@@H]2CN(Cc3cn(Cc4ccccc4)nn3)CC[C@H]2N1	ZINC000852496032	ED	On-Demand	Anodyne	SIGMAR1	33	42
O=C1CC[C@H]2CN(Cc3cn(Cc4ccccc4)nn3)CC[C@@H]2N1	ZINC000852496033	ED	On-Demand	Anodyne	SIGMAR1	33	42
O=C1CC[C@@H]2CN(Cc3cn(Cc4ccccc4)nn3)CC[C@@H]2N1	ZINC000852496034	ED	On-Demand	Anodyne	SIGMAR1	33	42
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852496240	FE	On-Demand	Anodyne	SLC6A3	18	42
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852496240	FE	On-Demand	Anodyne	PREP	27	41
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@H]2CCCC[C@H]21	ZINC000852496240	FE	On-Demand	Anodyne	SLC12A5	63	40
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852496241	FE	On-Demand	Anodyne	SLC6A3	18	42
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852496241	FE	On-Demand	Anodyne	PREP	27	41
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000852496241	FE	On-Demand	Anodyne	SLC12A5	63	40
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852496242	FE	On-Demand	Anodyne	SLC6A3	18	42
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852496242	FE	On-Demand	Anodyne	PREP	27	41
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@@H]2CCCC[C@H]12	ZINC000852496242	FE	On-Demand	Anodyne	SLC12A5	63	40
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852496243	FE	On-Demand	Anodyne	SLC6A3	18	42
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852496243	FE	On-Demand	Anodyne	PREP	27	41
COC(=O)[C@@H]1CCN(CC(=O)NOCc2ccccc2)[C@@H]2CCCC[C@@H]12	ZINC000852496243	FE	On-Demand	Anodyne	SLC12A5	63	40
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(F)c2)[C@H]2CCCC[C@@H]21	ZINC000852496266	EF	On-Demand	Anodyne	SLC6A3	25	44
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(F)c2)[C@H]2CCCC[C@H]21	ZINC000852496267	EF	On-Demand	Anodyne	SLC6A3	25	44
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(F)c2)[C@@H]2CCCC[C@@H]12	ZINC000852496268	EF	On-Demand	Anodyne	SLC6A3	25	44
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc(F)c2)[C@@H]2CCCC[C@H]12	ZINC000852496269	EF	On-Demand	Anodyne	SLC6A3	25	44
O=C1CC[C@@H]2CN(C[C@@H](O)c3ccc(F)cc3)CC[C@H]2N1	ZINC000852496344	CD	On-Demand	Anodyne	SLC6A3	28	40
O=C1CC[C@@H]2CN(C[C@H](O)c3ccc(F)cc3)CC[C@@H]2N1	ZINC000852496345	CD	On-Demand	Anodyne	SLC6A3	28	40
O=C1CC[C@@H]2CN(C[C@@H](O)c3ccc(F)cc3)CC[C@@H]2N1	ZINC000852496346	CD	On-Demand	Anodyne	SLC6A3	28	40
O=C1CC[C@@H]2CN(C[C@H](O)c3ccc(F)cc3)CC[C@H]2N1	ZINC000852496348	CD	On-Demand	Anodyne	SLC6A3	28	40
Cc1ccncc1CCNC(=O)N[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000852496377	GG	On-Demand	Anodyne	GPR119	30	42
Cc1ccncc1CCNC(=O)N[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000852496381	GG	On-Demand	Anodyne	GPR119	30	42
Cc1ccncc1CCNC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852496385	GG	On-Demand	Anodyne	GRIN2B	17	40
Cc1ccncc1CCNC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000852496385	GG	On-Demand	Anodyne	GPR119	53	46
COC(=O)/C=C\c1ccc(OCCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852496392	FD	On-Demand	Anodyne	LTA4H	20	41
COC(=O)/C=C\c1ccc(OCCN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852496394	FD	On-Demand	Anodyne	LTA4H	20	41
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852496400	GH	On-Demand	Clean	GIPR	43	34
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852496403	GH	On-Demand	Clean	GIPR	43	34
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)[C@H]2CCCC[C@H]21	ZINC000852496587	FG	On-Demand	Anodyne	MAOB	16	45
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)[C@H]2CCCC[C@H]21	ZINC000852496587	FG	On-Demand	Anodyne	HSD17B3	30	46
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)[C@H]2CCCC[C@@H]21	ZINC000852496588	FG	On-Demand	Anodyne	MAOB	16	45
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)[C@H]2CCCC[C@@H]21	ZINC000852496588	FG	On-Demand	Anodyne	HSD17B3	30	46
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)[C@@H]2CCCC[C@H]12	ZINC000852496589	FG	On-Demand	Anodyne	MAOB	16	45
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)[C@@H]2CCCC[C@H]12	ZINC000852496589	FG	On-Demand	Anodyne	HSD17B3	30	46
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)[C@@H]2CCCC[C@@H]12	ZINC000852496590	FG	On-Demand	Anodyne	MAOB	16	45
COC(=O)[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)[C@@H]2CCCC[C@@H]12	ZINC000852496590	FG	On-Demand	Anodyne	HSD17B3	30	46
Cc1ccncc1CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852496599	FE	On-Demand	Clean	NAMPT	54	40
O=C1CC[C@@H]2CN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]2N1	ZINC000852496638	EE	On-Demand	Anodyne	LUCI_PHOPY	60	44
O=C1CC[C@@H]2CN(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]2N1	ZINC000852496640	EE	On-Demand	Anodyne	LUCI_PHOPY	60	44
O=C1CC[C@@H]2CN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]2N1	ZINC000852496642	EE	On-Demand	Anodyne	LUCI_PHOPY	60	44
O=C1CC[C@@H]2CN(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]2N1	ZINC000852496645	EE	On-Demand	Anodyne	LUCI_PHOPY	60	44
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CCc3cc(Cl)nnc3C2)C1	ZINC000852496766	EG	On-Demand	Anodyne	MAPK1	43	36
C[C@@H]1CC(CNC(=O)N2CCc3cc(Cl)nnc3C2)C[C@@H](C)C1	ZINC000852496768	EG	On-Demand	Anodyne	MAPK1	43	36
C[C@H]1CC(CNC(=O)N2CCc3cc(Cl)nnc3C2)C[C@H](C)C1	ZINC000852496770	EG	On-Demand	Anodyne	MAPK1	43	36
C[C@@H]1CC(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@@H](C)C1	ZINC000852496788	GH	On-Demand	Clean	NPY2R	41	35
C[C@H]1CC(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H](C)C1	ZINC000852496789	GH	On-Demand	Clean	NPY2R	41	35
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1	ZINC000852496790	GH	On-Demand	Clean	NPY2R	41	35
COc1cccc([C@H](O)CNC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c1	ZINC000852496854	GF	On-Demand	Anodyne	ADRB1	25	40
COc1cccc([C@H](O)CNC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c1	ZINC000852496854	GF	On-Demand	Anodyne	MTNR1A	27	40
COc1cccc([C@H](O)CNC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c1	ZINC000852496854	GF	On-Demand	Anodyne	MTNR1B	26	40
COc1cccc([C@H](O)CNC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c1	ZINC000852496856	GF	On-Demand	Anodyne	ADRB1	25	40
COc1cccc([C@H](O)CNC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c1	ZINC000852496856	GF	On-Demand	Anodyne	MTNR1A	27	40
COc1cccc([C@H](O)CNC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c1	ZINC000852496856	GF	On-Demand	Anodyne	MTNR1B	26	40
Cc1ccncc1CCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852496875	EE	On-Demand	Anodyne	KCNA5	18	41
Cc1ccncc1CCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852496875	EE	On-Demand	Anodyne	CTSB	48	41
Cc1ccncc1CCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852496875	EE	On-Demand	Anodyne	PAPA1_CARPA	61	34
Cc1ccncc1CCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852496875	EE	On-Demand	Anodyne	CYSP_TRYCR	47	38
Cc1ccncc1CCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852496875	EE	On-Demand	Anodyne	CAPNS1	61	39
Cc1ccncc1CCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852496875	EE	On-Demand	Anodyne	CAPN1	68	41
Cc1ccncc1CCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852496875	EE	On-Demand	Anodyne	CAPN2	107	41
Cc1ccncc1CCNC(=O)N[C@H](C)C(=O)OCc1ccccc1	ZINC000852496875	EE	On-Demand	Anodyne	NPR	80	38
COc1ccc2c(c1)CN(C(=O)NCCc1cnccc1C)CCO2	ZINC000852496876	EF	On-Demand	Anodyne	MTNR1A	46	38
O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)NNC(=O)c1cccc(Cl)c1	ZINC000852496890	GG	On-Demand	Reactive	CACNA1I	28	40
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)NNC(=O)c1cccc(Cl)c1	ZINC000852496891	GG	On-Demand	Reactive	CACNA1I	28	40
Cc1ccncc1CCNC(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1	ZINC000852496921	GG	On-Demand	Anodyne	GPR119	28	44
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]21	ZINC000852496924	FF	On-Demand	Bother	CACNA1C	48	38
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]21	ZINC000852496924	FF	On-Demand	Bother	CACNA1D	71	37
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]21	ZINC000852496925	FF	On-Demand	Bother	CACNA1C	48	38
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]21	ZINC000852496925	FF	On-Demand	Bother	CACNA1D	71	37
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12	ZINC000852496929	FF	On-Demand	Bother	CACNA1C	48	38
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12	ZINC000852496929	FF	On-Demand	Bother	CACNA1D	71	37
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12	ZINC000852496934	FF	On-Demand	Bother	CACNA1C	48	38
COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12	ZINC000852496934	FF	On-Demand	Bother	CACNA1D	71	37
O=C(NC[C@@H](O)c1cccc(Cl)c1)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852496936	GH	On-Demand	Anodyne	ADRB1	47	47
O=C(NC[C@@H](O)c1cccc(Cl)c1)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852496936	GH	On-Demand	Anodyne	ADRB3	58	47
O=C(NC[C@@H](O)c1cccc(Cl)c1)NC[C@H](OC1CCCC1)C(F)(F)F	ZINC000852496936	GH	On-Demand	Anodyne	CYP3A4	45	33
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)NC[C@H](O)c1cccc(Cl)c1	ZINC000852496940	GH	On-Demand	Anodyne	ADRB1	47	47
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)NC[C@H](O)c1cccc(Cl)c1	ZINC000852496940	GH	On-Demand	Anodyne	ADRB3	58	47
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)NC[C@H](O)c1cccc(Cl)c1	ZINC000852496940	GH	On-Demand	Anodyne	CYP3A4	45	33
CC(=O)c1ccc(N2CCN(C(=O)CN(C)C[C@H]3COCCO3)CC2)c(F)c1	ZINC000852496941	GD	On-Demand	Anodyne	SLC6A9	16	47
CC(=O)c1ccc(N2CCN(C(=O)CN(C)C[C@@H]3COCCO3)CC2)c(F)c1	ZINC000852496943	GD	On-Demand	Anodyne	SLC6A9	16	47
O=C(NC[C@@H](O)c1cccc(Cl)c1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852496945	GH	On-Demand	Anodyne	ADRB1	47	47
O=C(NC[C@@H](O)c1cccc(Cl)c1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852496945	GH	On-Demand	Anodyne	ADRB3	58	47
O=C(NC[C@@H](O)c1cccc(Cl)c1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852496945	GH	On-Demand	Anodyne	CYP3A4	45	33
O=C(NC[C@H](O)c1cccc(Cl)c1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852496952	GH	On-Demand	Anodyne	ADRB1	47	47
O=C(NC[C@H](O)c1cccc(Cl)c1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852496952	GH	On-Demand	Anodyne	ADRB3	58	47
O=C(NC[C@H](O)c1cccc(Cl)c1)NC[C@@H](OC1CCCC1)C(F)(F)F	ZINC000852496952	GH	On-Demand	Anodyne	CYP3A4	45	33
COC(=O)N(C)CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852497007	ED	On-Demand	Anodyne	MTNR1A	52	49
COC(=O)N(C)CCNC(=O)NCCc1ccnc2ccccc12	ZINC000852497007	ED	On-Demand	Anodyne	MTNR1B	35	49
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497027	FF	On-Demand	Anodyne	DRD4	17	45
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497027	FF	On-Demand	Anodyne	LTA4H	17	40
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497027	FF	On-Demand	Anodyne	CHRNA7	16	44
O=C(NCCc1ccnc2ccccc12)NCCC1SCCS1	ZINC000852497029	EG	On-Demand	Anodyne	MTNR1A	15	41
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497030	FF	On-Demand	Anodyne	DRD4	17	45
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497030	FF	On-Demand	Anodyne	LTA4H	17	40
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497030	FF	On-Demand	Anodyne	CHRNA7	16	44
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497032	FF	On-Demand	Anodyne	DRD4	17	45
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497032	FF	On-Demand	Anodyne	LTA4H	17	40
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497032	FF	On-Demand	Anodyne	CHRNA7	16	44
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497035	FF	On-Demand	Anodyne	DRD4	17	45
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497035	FF	On-Demand	Anodyne	LTA4H	17	40
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(-c2ccccc2)cc1	ZINC000852497035	FF	On-Demand	Anodyne	CHRNA7	16	44
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(N2CCCC2)cc1	ZINC000852497039	FD	On-Demand	Anodyne	SLC27A1	33	40
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc(N2CCCC2)cc1	ZINC000852497041	FD	On-Demand	Anodyne	SLC27A1	33	40
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(N2CCCC2)cc1	ZINC000852497043	FD	On-Demand	Anodyne	SLC27A1	33	40
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc(N2CCCC2)cc1	ZINC000852497046	FD	On-Demand	Anodyne	SLC27A1	33	40
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497047	EE	On-Demand	Anodyne	HRH3	17	44
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497047	EE	On-Demand	Anodyne	SIGMAR1	16	40
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497047	EE	On-Demand	Anodyne	CCR3	15	40
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497047	EE	On-Demand	Anodyne	SLC18A3	17	40
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497047	EE	On-Demand	Anodyne	L3MBTL3	84	53
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497049	EE	On-Demand	Anodyne	HRH3	17	44
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497049	EE	On-Demand	Anodyne	SIGMAR1	16	40
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497049	EE	On-Demand	Anodyne	CCR3	15	40
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497049	EE	On-Demand	Anodyne	SLC18A3	17	40
O=C1CC[C@@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497049	EE	On-Demand	Anodyne	L3MBTL3	84	53
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497051	EE	On-Demand	Anodyne	HRH3	17	44
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497051	EE	On-Demand	Anodyne	SIGMAR1	16	40
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497051	EE	On-Demand	Anodyne	CCR3	15	40
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497051	EE	On-Demand	Anodyne	SLC18A3	17	40
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@@H]2N1	ZINC000852497051	EE	On-Demand	Anodyne	L3MBTL3	84	53
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497054	EE	On-Demand	Anodyne	HRH3	17	44
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497054	EE	On-Demand	Anodyne	SIGMAR1	16	40
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497054	EE	On-Demand	Anodyne	CCR3	15	40
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497054	EE	On-Demand	Anodyne	SLC18A3	17	40
O=C1CC[C@H]2CN(Cc3ccc(C(=O)N4CCCC4)cc3)CC[C@H]2N1	ZINC000852497054	EE	On-Demand	Anodyne	L3MBTL3	84	53
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497071	EC	On-Demand	Anodyne	CA2	29	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497071	EC	On-Demand	Anodyne	CA1	30	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497071	EC	On-Demand	Anodyne	CA7	17	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497071	EC	On-Demand	Anodyne	CA12	22	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497071	EC	On-Demand	Anodyne	CA9	26	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497073	EC	On-Demand	Anodyne	CA2	29	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497073	EC	On-Demand	Anodyne	CA1	30	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497073	EC	On-Demand	Anodyne	CA7	17	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497073	EC	On-Demand	Anodyne	CA12	22	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497073	EC	On-Demand	Anodyne	CA9	26	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497075	EC	On-Demand	Anodyne	CA2	29	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497075	EC	On-Demand	Anodyne	CA1	30	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497075	EC	On-Demand	Anodyne	CA7	17	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497075	EC	On-Demand	Anodyne	CA12	22	42
NS(=O)(=O)c1ccc(CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497075	EC	On-Demand	Anodyne	CA9	26	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497077	EC	On-Demand	Anodyne	CA2	29	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497077	EC	On-Demand	Anodyne	CA1	30	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497077	EC	On-Demand	Anodyne	CA7	17	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497077	EC	On-Demand	Anodyne	CA12	22	42
NS(=O)(=O)c1ccc(CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497077	EC	On-Demand	Anodyne	CA9	26	42
O=C1CC[C@@H]2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]2N1	ZINC000852497092	GE	On-Demand	Anodyne	HTR1A	24	49
O=C1CC[C@@H]2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]2N1	ZINC000852497092	GE	On-Demand	Anodyne	HTR7	18	46
O=C1CC[C@H]2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]2N1	ZINC000852497095	GE	On-Demand	Anodyne	HTR1A	24	49
O=C1CC[C@H]2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]2N1	ZINC000852497095	GE	On-Demand	Anodyne	HTR7	18	46
O=C1CC[C@H]2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@H]2N1	ZINC000852497097	GE	On-Demand	Anodyne	HTR1A	24	49
O=C1CC[C@H]2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@H]2N1	ZINC000852497097	GE	On-Demand	Anodyne	HTR7	18	46
O=C1CC[C@@H]2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@H]2N1	ZINC000852497099	GE	On-Demand	Anodyne	HTR1A	24	49
O=C1CC[C@@H]2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@H]2N1	ZINC000852497099	GE	On-Demand	Anodyne	HTR7	18	46
C[C@H](C(=O)Nc1cccnc1Cl)N(C)C[C@@H]1COCCO1	ZINC000852497125	DD	On-Demand	Anodyne	G2YM83_BOTF4	66	33
C[C@H](C(=O)Nc1cccnc1Cl)N(C)C[C@H]1COCCO1	ZINC000852497127	DD	On-Demand	Anodyne	G2YM83_BOTF4	66	33
O=C1CC[C@@H]2CN(Cc3cc(=O)oc4cc(O)ccc34)CC[C@@H]2N1	ZINC000852497132	ED	On-Demand	Anodyne	HSD17B3	30	46
O=C1CC[C@@H]2CN(Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]2N1	ZINC000852497133	ED	On-Demand	Anodyne	HSD17B3	30	46
O=C1CC[C@H]2CN(Cc3cc(=O)oc4cc(O)ccc34)CC[C@@H]2N1	ZINC000852497134	ED	On-Demand	Anodyne	HSD17B3	30	46
O=C1CC[C@H]2CN(Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]2N1	ZINC000852497135	ED	On-Demand	Anodyne	HSD17B3	30	46
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC2)cc1	ZINC000852497145	GC	On-Demand	Clean	MAPK1	23	41
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC2)cc1	ZINC000852497145	GC	On-Demand	Clean	SSTR1	47	36
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4NC(=O)CC[C@H]4C3)CC2)cc1	ZINC000852497146	GC	On-Demand	Clean	MAPK1	23	41
COc1ccc(N2CCN(C(=O)CN3CC[C@@H]4NC(=O)CC[C@H]4C3)CC2)cc1	ZINC000852497146	GC	On-Demand	Clean	SSTR1	47	36
COc1ccc(N2CCN(C(=O)CN3CC[C@H]4NC(=O)CC[C@H]4C3)CC2)cc1	ZINC000852497147	GC	On-Demand	Clean	MAPK1	23	41
COc1ccc(N2CCN(C(=O)CN3CC[C@H]4NC(=O)CC[C@H]4C3)CC2)cc1	ZINC000852497147	GC	On-Demand	Clean	SSTR1	47	36
COc1ccc(N2CCN(C(=O)CN3CC[C@H]4NC(=O)CC[C@@H]4C3)CC2)cc1	ZINC000852497148	GC	On-Demand	Clean	MAPK1	23	41
COc1ccc(N2CCN(C(=O)CN3CC[C@H]4NC(=O)CC[C@@H]4C3)CC2)cc1	ZINC000852497148	GC	On-Demand	Clean	SSTR1	47	36
O=C1CC[C@H]2CN(CC[C@@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852497254	CD	On-Demand	Anodyne	SLC6A3	17	49
O=C1CC[C@H]2CN(CC[C@@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852497254	CD	On-Demand	Anodyne	CCR5	41	38
O=C1CC[C@@H]2CN(CC[C@@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852497257	CD	On-Demand	Anodyne	SLC6A3	17	49
O=C1CC[C@@H]2CN(CC[C@@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852497257	CD	On-Demand	Anodyne	CCR5	41	38
O=C1CC[C@H]2CN(CC[C@@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852497258	CD	On-Demand	Anodyne	SLC6A3	17	49
O=C1CC[C@H]2CN(CC[C@@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852497258	CD	On-Demand	Anodyne	CCR5	41	38
O=C1CC[C@H]2CN(CC[C@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852497261	CD	On-Demand	Anodyne	SLC6A3	17	49
O=C1CC[C@H]2CN(CC[C@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852497261	CD	On-Demand	Anodyne	CCR5	41	38
Cc1ccncc1CCNC(=O)N1CCC2(CC1)OCCc1ccsc12	ZINC000852497263	FG	On-Demand	Anodyne	OPRL1	42	33
O=C1CC[C@@H]2CN(CC[C@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852497264	CD	On-Demand	Anodyne	SLC6A3	17	49
O=C1CC[C@@H]2CN(CC[C@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852497264	CD	On-Demand	Anodyne	CCR5	41	38
O=C1CC[C@@H]2CN(CC[C@@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852497266	CD	On-Demand	Anodyne	SLC6A3	17	49
O=C1CC[C@@H]2CN(CC[C@@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852497266	CD	On-Demand	Anodyne	CCR5	41	38
O=C1CC[C@@H]2CN(CC[C@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852497268	CD	On-Demand	Anodyne	SLC6A3	17	49
O=C1CC[C@@H]2CN(CC[C@H](O)c3ccccc3)CC[C@@H]2N1	ZINC000852497268	CD	On-Demand	Anodyne	CCR5	41	38
O=C1CC[C@H]2CN(CC[C@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852497270	CD	On-Demand	Anodyne	SLC6A3	17	49
O=C1CC[C@H]2CN(CC[C@H](O)c3ccccc3)CC[C@H]2N1	ZINC000852497270	CD	On-Demand	Anodyne	CCR5	41	38
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)NCCc2cnccc2C)C1	ZINC000852497348	FE	On-Demand	Anodyne	ADRA1A	22	42
Cc1cc([C@@H]2CCCN2C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)no1	ZINC000852497367	GH	On-Demand	Anodyne	CPT1A	48	38
Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)no1	ZINC000852497374	GH	On-Demand	Anodyne	CPT1A	48	38
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852497412	FF	On-Demand	Anodyne	GPR119	34	44
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852497414	FF	On-Demand	Anodyne	GPR119	34	44
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1	ZINC000852497417	FF	On-Demand	Anodyne	GPR119	34	44
CC(C)(C)OC(=O)N1CCC(CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1	ZINC000852497419	FF	On-Demand	Anodyne	GPR119	34	44
COC(=O)[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)[C@H]2CCCC[C@H]21	ZINC000852497452	FF	On-Demand	Anodyne	NOS2	47	39
COC(=O)[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)[C@H]2CCCC[C@@H]21	ZINC000852497453	FF	On-Demand	Anodyne	NOS2	47	39
COC(=O)[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)[C@@H]2CCCC[C@H]12	ZINC000852497454	FF	On-Demand	Anodyne	NOS2	47	39
COC(=O)[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)[C@@H]2CCCC[C@@H]12	ZINC000852497455	FF	On-Demand	Anodyne	NOS2	47	39
Cc1ccncc1CCNC(=O)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852497463	FF	On-Demand	Anodyne	EPHX2	18	48
CN(C[C@@H]1COCCO1)C[C@H](O)c1ccccc1	ZINC000852497471	CD	On-Demand	Anodyne	AOC3	22	44
CN(C[C@@H](O)c1ccccc1)C[C@@H]1COCCO1	ZINC000852497475	CD	On-Demand	Anodyne	AOC3	22	44
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]21	ZINC000852497523	FG	On-Demand	Anodyne	SLC6A3	43	41
C[C@H]1CC(CNC(=O)N2CC[C@@H](c3ccccn3)C2)C[C@H](C)C1	ZINC000852497524	DH	On-Demand	Anodyne	EPHX2	19	42
C[C@H]1CC(CNC(=O)N2CC[C@@H](c3ccccn3)C2)C[C@H](C)C1	ZINC000852497524	DH	On-Demand	Anodyne	SMO	27	41
COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@H]12	ZINC000852497525	FG	On-Demand	Anodyne	SLC6A3	43	41
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852497526	DH	On-Demand	Anodyne	EPHX2	19	42
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CC[C@H](c3ccccn3)C2)C1	ZINC000852497526	DH	On-Demand	Anodyne	SMO	27	41
COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852497527	FG	On-Demand	Anodyne	SLC6A3	43	41
C[C@H]1CC(CNC(=O)N2CC[C@H](c3ccccn3)C2)C[C@H](C)C1	ZINC000852497528	DH	On-Demand	Anodyne	EPHX2	19	42
C[C@H]1CC(CNC(=O)N2CC[C@H](c3ccccn3)C2)C[C@H](C)C1	ZINC000852497528	DH	On-Demand	Anodyne	SMO	27	41
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852497529	DH	On-Demand	Anodyne	EPHX2	19	42
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CC[C@@H](c3ccccn3)C2)C1	ZINC000852497529	DH	On-Demand	Anodyne	SMO	27	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)[C@H]2CCCC[C@H]21	ZINC000852497530	FG	On-Demand	Anodyne	SLC6A3	43	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852497532	FG	On-Demand	Anodyne	SLC6A3	43	41
COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@H]12	ZINC000852497534	FG	On-Demand	Anodyne	SLC6A3	43	41
COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2)[C@H]2CCCC[C@H]21	ZINC000852497536	FG	On-Demand	Anodyne	SLC6A3	43	41
COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]21	ZINC000852497539	FG	On-Demand	Anodyne	SLC6A3	43	41
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497543	ED	On-Demand	Anodyne	ADRB1	19	40
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497543	ED	On-Demand	Anodyne	ACOX1	44	31
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497543	ED	On-Demand	Anodyne	ABCB1	55	43
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497544	ED	On-Demand	Anodyne	ADRB1	19	40
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497544	ED	On-Demand	Anodyne	ACOX1	44	31
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497544	ED	On-Demand	Anodyne	ABCB1	55	43
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497546	ED	On-Demand	Anodyne	ADRB1	19	40
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497546	ED	On-Demand	Anodyne	ACOX1	44	31
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497546	ED	On-Demand	Anodyne	ABCB1	55	43
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497548	ED	On-Demand	Anodyne	ADRB1	19	40
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497548	ED	On-Demand	Anodyne	ACOX1	44	31
CC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497548	ED	On-Demand	Anodyne	ABCB1	55	43
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1COCCO1	ZINC000852497555	EE	On-Demand	Anodyne	GPR119	27	40
Cc1ccncc1CCNC(=O)N1CCN(c2ccnc(F)c2)CC1	ZINC000852497556	ED	On-Demand	Anodyne	CHEK1	41	34
CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1COCCO1	ZINC000852497557	EE	On-Demand	Anodyne	GPR119	27	40
O=C1CC[C@@H]2CN(CCOC(=O)Cc3ccccc3)CC[C@@H]2N1	ZINC000852497623	DD	On-Demand	Anodyne	SLC6A1	62	37
O=C1CC[C@@H]2CN(CCOC(=O)Cc3ccccc3)CC[C@@H]2N1	ZINC000852497623	DD	On-Demand	Anodyne	LTA4H	20	43
O=C1CC[C@H]2CN(CCOC(=O)Cc3ccccc3)CC[C@@H]2N1	ZINC000852497625	DD	On-Demand	Anodyne	SLC6A1	62	37
O=C1CC[C@H]2CN(CCOC(=O)Cc3ccccc3)CC[C@@H]2N1	ZINC000852497625	DD	On-Demand	Anodyne	LTA4H	20	43
O=C1CC[C@@H]2CN(CCOC(=O)Cc3ccccc3)CC[C@H]2N1	ZINC000852497626	DD	On-Demand	Anodyne	SLC6A1	62	37
O=C1CC[C@@H]2CN(CCOC(=O)Cc3ccccc3)CC[C@H]2N1	ZINC000852497626	DD	On-Demand	Anodyne	LTA4H	20	43
O=C1CC[C@H]2CN(CCOC(=O)Cc3ccccc3)CC[C@H]2N1	ZINC000852497628	DD	On-Demand	Anodyne	SLC6A1	62	37
O=C1CC[C@H]2CN(CCOC(=O)Cc3ccccc3)CC[C@H]2N1	ZINC000852497628	DD	On-Demand	Anodyne	LTA4H	20	43
Cc1ccncc1CCNC(=O)N1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2	ZINC000852497671	GD	On-Demand	Anodyne	GPR119	16	42
O=C1CC[C@@H]2CN(C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@@H]2N1	ZINC000852497679	EE	On-Demand	Anodyne	RBP4	42	33
O=C1CC[C@@H]2CN(C[C@H](O)c3ccccc3C(F)(F)F)CC[C@H]2N1	ZINC000852497681	EE	On-Demand	Anodyne	RBP4	42	33
O=C1CC[C@@H]2CN(C[C@@H](O)c3ccccc3C(F)(F)F)CC[C@H]2N1	ZINC000852497683	EE	On-Demand	Anodyne	RBP4	42	33
O=C1CC[C@@H]2CN(C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]2N1	ZINC000852497685	EE	On-Demand	Anodyne	RBP4	42	33
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852497686	EC	On-Demand	Reactive	DRD4	40	34
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852497686	EC	On-Demand	Reactive	KCNK3	55	39
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852497686	EC	On-Demand	Reactive	KCNK9	44	39
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852497687	EC	On-Demand	Reactive	DRD4	40	34
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852497687	EC	On-Demand	Reactive	KCNK3	55	39
Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852497687	EC	On-Demand	Reactive	KCNK9	44	39
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852497688	EC	On-Demand	Reactive	DRD4	40	34
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852497688	EC	On-Demand	Reactive	KCNK3	55	39
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852497688	EC	On-Demand	Reactive	KCNK9	44	39
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852497689	EC	On-Demand	Reactive	DRD4	40	34
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852497689	EC	On-Demand	Reactive	KCNK3	55	39
Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852497689	EC	On-Demand	Reactive	KCNK9	44	39
O=C(CN1CC[C@@H]2NC(=O)CC[C@@H]2C1)Nc1ccc2ccccc2c1	ZINC000852497714	EE	On-Demand	Anodyne	DRD4	21	41
O=C(CN1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc2ccccc2c1	ZINC000852497715	EE	On-Demand	Anodyne	DRD4	21	41
O=C(CN1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc2ccccc2c1	ZINC000852497716	EE	On-Demand	Anodyne	DRD4	21	41
O=C(CN1CC[C@@H]2NC(=O)CC[C@H]2C1)Nc1ccc2ccccc2c1	ZINC000852497717	EE	On-Demand	Anodyne	DRD4	21	41
C[C@H]1CC(CNC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C[C@H](C)C1	ZINC000852497786	GG	On-Demand	Anodyne	CACNA1I	52	34
C[C@H]1C[C@@H](C)C[C@H](CNC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C1	ZINC000852497787	GG	On-Demand	Anodyne	CACNA1I	52	34
C[C@@H]1CC(CNC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C[C@@H](C)C1	ZINC000852497788	GG	On-Demand	Anodyne	CACNA1I	52	34
N#Cc1ccc(-c2cc(N3CCN(C[C@H](O)c4ccccn4)CC3)n[nH]2)cc1	ZINC000852497906	FE	On-Demand	Mild	DRD4	21	43
N#Cc1ccc(-c2cc(N3CCN(C[C@@H](O)c4ccccn4)CC3)n[nH]2)cc1	ZINC000852497908	FE	On-Demand	Mild	DRD4	21	43
CC(=O)Oc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497954	DD	On-Demand	Anodyne	SIGMAR1	28	44
CC(=O)Oc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497954	DD	On-Demand	Anodyne	MLNR	40	37
CC(=O)Oc1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497955	DD	On-Demand	Anodyne	SIGMAR1	28	44
CC(=O)Oc1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497955	DD	On-Demand	Anodyne	MLNR	40	37
COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@H]2CCCC[C@H]21	ZINC000852497956	GG	On-Demand	Anodyne	SLC6A3	17	42
COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@H]2CCCC[C@H]21	ZINC000852497956	GG	On-Demand	Anodyne	APP	40	35
CC(=O)Oc1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497957	DD	On-Demand	Anodyne	SIGMAR1	28	44
CC(=O)Oc1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852497957	DD	On-Demand	Anodyne	MLNR	40	37
CC(=O)Oc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497958	DD	On-Demand	Anodyne	SIGMAR1	28	44
CC(=O)Oc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852497958	DD	On-Demand	Anodyne	MLNR	40	37
COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]21	ZINC000852497960	GG	On-Demand	Anodyne	SLC6A3	17	42
COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]21	ZINC000852497960	GG	On-Demand	Anodyne	APP	40	35
COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@H]12	ZINC000852497963	GG	On-Demand	Anodyne	SLC6A3	17	42
COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@H]12	ZINC000852497963	GG	On-Demand	Anodyne	APP	40	35
COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852497966	GG	On-Demand	Anodyne	SLC6A3	17	42
COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]12	ZINC000852497966	GG	On-Demand	Anodyne	APP	40	35
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852497967	FB	On-Demand	Reactive	CCR3	17	40
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852497968	FB	On-Demand	Reactive	CCR3	17	40
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	ZINC000852497969	FB	On-Demand	Reactive	CCR3	17	40
N#Cc1cccc(C(=O)NNC(=O)CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1	ZINC000852497971	FB	On-Demand	Reactive	CCR3	17	40
Cc1ccncc1CCNC(=O)N1CCC(Oc2cncc(Cl)n2)CC1	ZINC000852498025	GF	On-Demand	Anodyne	EPHX2	15	47
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1	ZINC000852498039	GF	On-Demand	Anodyne	GPR119	27	45
Cc1ccncc1CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1	ZINC000852498040	GF	On-Demand	Anodyne	GPR119	27	45
CCOC(=O)N1CCC(NC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000852498041	GF	On-Demand	Anodyne	EPHX2	32	41
O=C1CC[C@H]2CN(Cc3cccc(C(=O)C(F)(F)F)c3)CC[C@@H]2N1	ZINC000852498042	EF	On-Demand	Anodyne	ACHE	23	43
O=C1CC[C@@H]2CN(Cc3cccc(C(=O)C(F)(F)F)c3)CC[C@@H]2N1	ZINC000852498043	EF	On-Demand	Anodyne	ACHE	23	43
O=C1CC[C@@H]2CN(Cc3cccc(C(=O)C(F)(F)F)c3)CC[C@H]2N1	ZINC000852498045	EF	On-Demand	Anodyne	ACHE	23	43
CCOC(=O)N1CCC(NC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)CC1	ZINC000852498053	GF	On-Demand	Anodyne	EPHX2	32	41
O=C1CC[C@@H]2CN(CCS(=O)(=O)Cc3ccccc3)CC[C@@H]2N1	ZINC000852498073	ED	On-Demand	Anodyne	SIGMAR1	20	40
O=C1CC[C@H]2CN(CCS(=O)(=O)Cc3ccccc3)CC[C@@H]2N1	ZINC000852498074	ED	On-Demand	Anodyne	SIGMAR1	20	40
O=C1CC[C@@H]2CN(CCS(=O)(=O)Cc3ccccc3)CC[C@H]2N1	ZINC000852498075	ED	On-Demand	Anodyne	SIGMAR1	20	40
O=C1CC[C@H]2CN(CCS(=O)(=O)Cc3ccccc3)CC[C@H]2N1	ZINC000852498077	ED	On-Demand	Anodyne	SIGMAR1	20	40
CN(C)c1ccc(NC(=O)CCN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852498094	ED	On-Demand	Anodyne	TERT	15	40
CN(C)c1ccc(NC(=O)CCN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	ZINC000852498096	ED	On-Demand	Anodyne	TERT	15	40
CN(C)c1ccc(NC(=O)CCN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852498097	ED	On-Demand	Anodyne	TERT	15	40
CN(C)c1ccc(NC(=O)CCN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	ZINC000852498099	ED	On-Demand	Anodyne	TERT	15	40
O=C(NCCc1ccnc2ccccc12)NCCS(=O)(=O)CC(F)(F)F	ZINC000852498173	GE	On-Demand	Anodyne	MTNR1A	19	42
Cn1cnc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c1	ZINC000852498175	GF	On-Demand	Anodyne	CCR5	94	37
Cn1ncnc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498178	GD	On-Demand	Anodyne	CCR5	85	36
O=C(N[C@H]1CN(Cc2ccno2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498185	FF	On-Demand	Anodyne	CCR5	84	36
C[C@H]1CCOCCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498192	DF	On-Demand	Anodyne	MTNR1A	29	41
C[C@H]1CCOCCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498192	DF	On-Demand	Anodyne	MTNR1B	26	41
C[C@@H]1CCOCCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498193	DF	On-Demand	Anodyne	MTNR1A	29	41
C[C@@H]1CCOCCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498193	DF	On-Demand	Anodyne	MTNR1B	26	41
CO[C@@H](CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1)C1CC1	ZINC000852498200	GG	On-Demand	Anodyne	CCR5	97	39
C#C[C@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498206	DF	On-Demand	Mild	PREP	29	43
C#C[C@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498206	DF	On-Demand	Mild	HNMT	49	37
C#C[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498207	DF	On-Demand	Mild	PREP	29	43
C#C[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498207	DF	On-Demand	Mild	HNMT	49	37
Cn1cc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)nn1	ZINC000852498224	GD	On-Demand	Anodyne	CCR5	88	37
Cc1cc([C@@H]2CCCN2C(=O)NCCc2ccnc3ccccc23)no1	ZINC000852498230	FH	On-Demand	Anodyne	ADAM17	32	40
Cc1cc([C@@H]2CCCN2C(=O)NCCc2ccnc3ccccc23)no1	ZINC000852498230	FH	On-Demand	Anodyne	CPT1A	62	38
Cc1cc([C@@H]2CCCN2C(=O)NCCc2ccnc3ccccc23)no1	ZINC000852498230	FH	On-Demand	Anodyne	PREP	21	43
C#CCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498232	EE	On-Demand	Mild	CCR5	88	38
Cn1cncc1CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498246	GF	On-Demand	Anodyne	CCR5	89	35
CCOC(=O)[C@@H]1CN(C(=O)NCCc2ccnc3ccccc23)CC12COC2	ZINC000852498247	GD	On-Demand	Anodyne	MTNR1A	15	41
O=C(N[C@H]1CN(CC2CC(F)(F)C2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498249	GH	On-Demand	Anodyne	CCR5	95	41
CCOCCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498256	GG	On-Demand	Anodyne	CCR5	97	37
Cc1cccc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)n1	ZINC000852498258	GH	On-Demand	Anodyne	CCR5	95	36
C[C@@H](C(N)=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498260	FD	On-Demand	Anodyne	CCR5	94	41
O=C(N[C@H]1CN(Cc2cnns2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498265	GF	On-Demand	Anodyne	CCR5	81	35
COCCCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498272	GG	On-Demand	Anodyne	CCR5	95	37
C[C@H](C(=O)N(C)C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498275	GE	On-Demand	Anodyne	CCR5	87	38
C[C@@H](C(=O)N(C)C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498276	GE	On-Demand	Anodyne	CCR5	87	38
O=C(N[C@H]1CN(CCc2ccncc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498279	GG	On-Demand	Anodyne	CCR5	92	40
C=CCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498282	EF	On-Demand	Mild	CCR5	87	40
O=C(N[C@H]1CN(C[C@H]2COCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498292	GE	On-Demand	Anodyne	CCR5	94	38
O=C(N[C@H]1CN(C[C@@H]2COCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498293	GE	On-Demand	Anodyne	CCR5	94	38
O=C(N[C@@H]1CN([C@@H]2CCC[C@H]2O)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498296	FF	On-Demand	Anodyne	CCR5	48	36
O=C(N[C@@H]1CN([C@@H]2CCC[C@H]2O)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498296	FF	On-Demand	Anodyne	SLC18A3	29	43
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498301	FE	On-Demand	Anodyne	ADAM17	56	41
CN(C)C(=O)O[C@@H]1CCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498301	FE	On-Demand	Anodyne	HNMT	45	33
O=C(N[C@@H]1CN(CCF)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498303	EF	On-Demand	Anodyne	CCR5	90	39
Cc1cnc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)o1	ZINC000852498304	GG	On-Demand	Anodyne	CCR5	95	37
O=C(N[C@H]1CN(CCn2cccn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498307	GF	On-Demand	Anodyne	CCR5	92	36
O=C(N[C@H]1CN(Cc2cc[nH]n2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498308	FF	On-Demand	Anodyne	CCR5	92	38
CC[C@@](C)(O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498309	GF	On-Demand	Anodyne	CCR5	93	38
Cc1cncc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c1	ZINC000852498311	GH	On-Demand	Anodyne	CCR5	90	36
O=C(N[C@H]1CN(CC2OCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498314	GE	On-Demand	Anodyne	CCR5	95	39
CCn1nncc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498316	GE	On-Demand	Anodyne	CCR5	98	39
Nc1cc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)ccn1	ZINC000852498317	GF	On-Demand	Anodyne	CCR3	26	41
Nc1cc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)ccn1	ZINC000852498317	GF	On-Demand	Anodyne	CCR5	86	34
N#CCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498319	EF	On-Demand	Mild	CCR5	82	37
CC(C)(C#N)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498320	GH	On-Demand	Mild	CCR5	87	38
COCC[C@H](C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498321	GG	On-Demand	Anodyne	CCR5	99	39
COCC[C@@H](C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498322	GG	On-Demand	Anodyne	CCR5	99	39
CC(=O)[C@](C)(O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498325	GE	On-Demand	Anodyne	CCR5	92	38
CC(=O)[C@@](C)(O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498326	GE	On-Demand	Anodyne	CCR5	92	38
O=C1CC[C@H](CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)O1	ZINC000852498338	GE	On-Demand	Anodyne	CCR5	85	37
O=C1CC[C@@H](CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)O1	ZINC000852498339	GE	On-Demand	Anodyne	CCR5	85	37
O=C(N[C@H]1CN(Cc2cnon2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498341	FE	On-Demand	Anodyne	CCR5	86	35
CCC[C@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498346	GF	On-Demand	Anodyne	CCR5	100	41
CCC[C@@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498347	GF	On-Demand	Anodyne	CCR5	100	41
O=C(N[C@H]1CN(Cc2ncc[nH]2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498349	FF	On-Demand	Anodyne	CCR5	83	36
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCCc1ccnc2ccccc12	ZINC000852498350	GG	On-Demand	Anodyne	NQO2	25	43
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCCc1ccnc2ccccc12	ZINC000852498350	GG	On-Demand	Anodyne	MTNR1A	29	42
CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCCc1ccnc2ccccc12	ZINC000852498350	GG	On-Demand	Anodyne	MTNR1B	19	42
N#CCCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498355	FF	On-Demand	Mild	CCR5	92	39
O=C(NCCc1ccnc2ccccc12)N1CCC2(CC1)OCCCO2	ZINC000852498356	FF	On-Demand	Anodyne	HNMT	50	38
N#CCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498363	EE	On-Demand	Mild	CCR5	87	38
O=C(NCCc1ccnc2ccccc12)N1CCC(C(=O)C(F)(F)F)CC1	ZINC000852498374	GG	On-Demand	Anodyne	HNMT	46	35
O=C(NCCc1ccnc2ccccc12)N1CCC(C(=O)C(F)(F)F)CC1	ZINC000852498374	GG	On-Demand	Anodyne	EPHX2	15	41
O=C(N[C@@H]1CN(CCCO)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498375	EE	On-Demand	Anodyne	CCR5	88	38
O=C(NCCc1ccnc2ccccc12)N1CCC2(CCCC2)C1	ZINC000852498377	DH	On-Demand	Anodyne	HNMT	48	37
O=C(NCCc1ccnc2ccccc12)N1CCC2(CCCC2)C1	ZINC000852498377	DH	On-Demand	Anodyne	EPHX2	25	42
O=C(N[C@H]1CN(Cc2cn[nH]c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498382	FF	On-Demand	Anodyne	CCR5	91	36
O=C(N[C@H]1CN(C[C@H]2CCCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498389	GG	On-Demand	Anodyne	CCR5	94	38
O=C(N[C@H]1CN(C[C@@H]2CCCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498390	GG	On-Demand	Anodyne	CCR5	94	38
C[C@H]1CC[C@@H](CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)O1	ZINC000852498392	GG	On-Demand	Anodyne	CCR5	93	38
C[C@H]1CC[C@H](CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)O1	ZINC000852498394	GG	On-Demand	Anodyne	CCR5	93	38
O=C(N[C@H]1CN(CC(F)(F)F)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498396	FG	On-Demand	Mild	CCR5	91	39
O=C(N[C@H]1CN(CC(F)(F)F)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498396	FG	On-Demand	Mild	HPGDS	33	43
CCC(=O)CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498397	GG	On-Demand	Anodyne	CCR5	93	37
O=C(N[C@@H]1CN(CCOCCO)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498398	GD	On-Demand	Anodyne	CCR5	86	36
O=C(N[C@H]1CN(Cc2ccncc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498399	GG	On-Demand	Anodyne	DRD4	23	42
O=C(N[C@H]1CN(Cc2ccncc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498399	GG	On-Demand	Anodyne	SIGMAR1	21	43
O=C(N[C@H]1CN(Cc2ccncc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498399	GG	On-Demand	Anodyne	CCR3	35	40
O=C(N[C@H]1CN(Cc2ccncc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498399	GG	On-Demand	Anodyne	CCR5	93	37
COC(=O)[C@@H](C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498400	GE	On-Demand	Anodyne	CCR5	89	38
O=C(NCCc1ccnc2ccccc12)NNC(=O)C1CCC1	ZINC000852498402	DD	On-Demand	Reactive	MTNR1A	25	48
O=C(NCCc1ccnc2ccccc12)NNC(=O)C1CCC1	ZINC000852498402	DD	On-Demand	Reactive	MTNR1B	19	43
O=C(NCCc1ccnc2ccccc12)NNC(=O)C1CCC1	ZINC000852498402	DD	On-Demand	Reactive	HNMT	50	38
O=C(NCCc1ccnc2ccccc12)NC1CCC(N2CCCCC2)CC1	ZINC000852498403	GH	On-Demand	Anodyne	HNMT	52	39
O=C(NCCc1ccnc2ccccc12)NC1CCC(N2CCCCC2)CC1	ZINC000852498403	GH	On-Demand	Anodyne	L3MBTL3	42	37
O=C(N[C@H]1CN(Cc2cncs2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498404	GG	On-Demand	Anodyne	CCR5	75	35
O=C(N[C@H]1CN(CC[C@@H]2CCOC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498409	GG	On-Demand	Anodyne	CCR5	52	38
O=C(N[C@H]1CN(CC[C@H]2CCOC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498410	GG	On-Demand	Anodyne	CCR5	52	38
C=CCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498415	EG	On-Demand	Mild	CCR5	80	39
O=C(N[C@H]1CN(Cc2ccccn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498416	GG	On-Demand	Anodyne	CCR5	92	36
O=C(N[C@@H]1CN(CC2(CO)COC2)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498423	GD	On-Demand	Anodyne	CCR5	85	37
O=C(N[C@H]1CN(CCC(F)(F)F)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498430	GH	On-Demand	Mild	CCR5	89	40
N#CCCOCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498433	GF	On-Demand	Mild	CCR5	72	34
C=C[C@@H](C(=O)OC)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498438	GE	On-Demand	Mild	CCR5	82	36
C=C[C@H](C(=O)OC)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498439	GE	On-Demand	Mild	CCR5	82	36
CN1CC[C@H](N2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)C1=O	ZINC000852498440	GD	On-Demand	Anodyne	CCR5	75	36
C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498443	GG	On-Demand	Anodyne	ACACB	15	41
C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498444	GG	On-Demand	Anodyne	ACACB	15	41
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498445	GG	On-Demand	Anodyne	ACACB	15	41
Cc1noc(C)c1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498446	GG	On-Demand	Anodyne	CCR5	85	36
N#CCCCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498447	FG	On-Demand	Mild	CCR5	92	39
O=C(N[C@H]1CN(Cc2nc(O)n[nH]2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498448	GD	On-Demand	Anodyne	CCR5	75	36
O=C(N[C@@H]1CN(CCCCF)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498449	FG	On-Demand	Anodyne	CCR5	88	38
CC[C@@H](CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1)OC	ZINC000852498460	GG	On-Demand	Anodyne	CCR5	100	38
CC[C@H](CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1)OC	ZINC000852498461	GG	On-Demand	Anodyne	CCR5	100	38
CCOCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498462	FF	On-Demand	Anodyne	CCR5	97	37
Cn1nnnc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498468	GD	On-Demand	Anodyne	CCR3	42	37
Cn1nnnc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498468	GD	On-Demand	Anodyne	CCR5	88	37
Cc1cnc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)cn1	ZINC000852498469	GF	On-Demand	Anodyne	CCR5	91	36
O=C(N[C@H]1CN(Cc2cccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498470	GG	On-Demand	Anodyne	DRD4	15	40
O=C(N[C@H]1CN(Cc2cccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498470	GG	On-Demand	Anodyne	SIGMAR1	17	41
O=C(N[C@H]1CN(Cc2cccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498470	GG	On-Demand	Anodyne	CCR3	25	40
O=C(N[C@H]1CN(Cc2cccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498470	GG	On-Demand	Anodyne	CCR5	99	38
O=C(N[C@H]1CN(Cc2cccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498470	GG	On-Demand	Anodyne	CHRNA7	43	42
COC[C@@H](O)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852498472	DD	On-Demand	Anodyne	ADRB1	40	30
COC[C@@H](O)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852498472	DD	On-Demand	Anodyne	MTNR1A	37	47
COC[C@@H](O)CNC(=O)NCCc1ccnc2ccccc12	ZINC000852498472	DD	On-Demand	Anodyne	MTNR1B	24	47
C#CCNC(=O)[C@H](C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498473	GD	On-Demand	Mild	CCR5	94	39
C#CCNC(=O)[C@@H](C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498474	GD	On-Demand	Mild	CCR5	94	39
Cc1ccncc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498475	GH	On-Demand	Anodyne	CCR5	94	37
C#CC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498476	DF	On-Demand	Mild	PREP	15	41
C#CC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498476	DF	On-Demand	Mild	HNMT	48	37
O=C(NCCc1ccnc2ccccc12)N1CCC[C@@H](N2CCCCC2=O)C1	ZINC000852498484	GF	On-Demand	Anodyne	HNMT	46	34
O=C(NCCc1ccnc2ccccc12)N1CCC[C@H](N2CCCCC2=O)C1	ZINC000852498485	GF	On-Demand	Anodyne	HNMT	46	34
N#CCNC(=O)CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498486	GD	On-Demand	Mild	CCR5	84	36
Cc1nc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)co1	ZINC000852498487	GG	On-Demand	Anodyne	CCR5	98	37
Cc1nc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)no1	ZINC000852498490	GF	On-Demand	Anodyne	CCR5	88	35
Cn1nccc1[C@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498494	FG	On-Demand	Anodyne	HNMT	47	35
Cn1nccc1[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498495	FG	On-Demand	Anodyne	HNMT	47	35
O=C(NCCc1ccnc2ccccc12)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000852498498	GG	On-Demand	Reactive	EPHX2	19	41
O=C(N[C@H]1CN(CCOCC2CC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498503	GG	On-Demand	Anodyne	CCR5	86	39
C#CCNC(=O)CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498508	GD	On-Demand	Mild	CCR5	83	36
COC[C@@H](C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498509	FF	On-Demand	Anodyne	CCR5	98	39
COC[C@H](C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498510	FF	On-Demand	Anodyne	CCR5	98	39
O=C(N[C@H]1CN(Cc2cnn[nH]2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498511	FD	On-Demand	Anodyne	CCR5	82	38
CN(CCCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1COCCO1	ZINC000852498512	FF	On-Demand	Anodyne	GPR119	26	42
CN(CCCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1COCCO1	ZINC000852498513	FF	On-Demand	Anodyne	GPR119	26	42
O=C(N[C@@H]1CN(CCCCCO)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498516	GF	On-Demand	Anodyne	CCR5	85	38
O=C(N[C@H]1CN(CC[C@H]2CCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498517	GG	On-Demand	Anodyne	CCR5	83	37
O=C(N[C@H]1CN(CC[C@@H]2CCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498518	GG	On-Demand	Anodyne	CCR5	83	37
CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498520	DF	On-Demand	Anodyne	CCR5	102	41
CC(=O)NCCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498521	GE	On-Demand	Anodyne	CCR3	40	38
CC(=O)NCCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498521	GE	On-Demand	Anodyne	CCR5	90	38
CCc1nc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)n[nH]1	ZINC000852498522	GF	On-Demand	Anodyne	CCR5	90	38
CC(C)(C)OC(=O)N1CCCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498523	GG	On-Demand	Anodyne	ADAM17	16	40
CC(C)(C)OC(=O)N1CCCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498523	GG	On-Demand	Anodyne	MTNR1A	25	42
CC(C)(C)OC(=O)N1CCCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498523	GG	On-Demand	Anodyne	MTNR1B	20	42
CC(C)(C)OC(=O)N1CCCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498523	GG	On-Demand	Anodyne	HNMT	48	36
CC(C)(O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498524	FE	On-Demand	Anodyne	CCR5	93	39
O=C(CCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)C1CC1	ZINC000852498525	GG	On-Demand	Anodyne	CCR5	79	37
Nc1ccnc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)n1	ZINC000852498528	GE	On-Demand	Anodyne	CCR5	72	34
N#CC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498531	DF	On-Demand	Mild	PREP	21	47
N#CC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498531	DF	On-Demand	Mild	HNMT	41	34
O=C(N[C@@H]1CN(CCCF)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498532	FG	On-Demand	Anodyne	CCR5	88	38
Cc1ncc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)cn1	ZINC000852498533	GF	On-Demand	Anodyne	CCR5	96	37
Cc1ccc(N2CCCN(C(=O)NCCc3ccnc4ccccc34)CC2)cc1	ZINC000852498539	GI	On-Demand	Anodyne	HNMT	45	34
C#CC[C@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498540	DG	On-Demand	Mild	PREP	19	42
C#CC[C@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498540	DG	On-Demand	Mild	HNMT	47	36
C#CC[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498541	DG	On-Demand	Mild	PREP	19	42
C#CC[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498541	DG	On-Demand	Mild	HNMT	47	36
O=C(NCCc1ccnc2ccccc12)N1CCC(F)(F)CC1	ZINC000852498544	DG	On-Demand	Anodyne	HNMT	47	36
O=C(N[C@@H]1CN(CCCCO)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498546	FE	On-Demand	Anodyne	CCR5	88	38
C#CCCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498548	FG	On-Demand	Mild	CCR5	71	36
CCOC(=O)N(C)C1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498551	GG	On-Demand	Anodyne	HNMT	43	31
Cn1nccc1CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498552	GF	On-Demand	Anodyne	CCR5	89	37
C=CCNC(=O)CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498562	GD	On-Demand	Mild	CCR5	82	37
C[C@H](c1cnccn1)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498564	GG	On-Demand	Anodyne	CCR5	90	37
Cc1nc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c(C)o1	ZINC000852498574	GG	On-Demand	Anodyne	CCR5	89	36
Cc1nc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c(C)o1	ZINC000852498574	GG	On-Demand	Anodyne	PDE8B	51	33
O=C(N[C@H]1CN(Cc2cnsn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498579	GF	On-Demand	Anodyne	CCR5	91	35
O=C(NCCc1ccnc2ccccc12)N1CC[C@H](c2ccccn2)C1	ZINC000852498582	EG	On-Demand	Anodyne	PREP	15	40
O=C(NCCc1ccnc2ccccc12)N1CC[C@H](c2ccccn2)C1	ZINC000852498582	EG	On-Demand	Anodyne	HNMT	48	36
O=C(NCCc1ccnc2ccccc12)N1CC[C@@H](c2ccccn2)C1	ZINC000852498583	EG	On-Demand	Anodyne	PREP	15	40
O=C(NCCc1ccnc2ccccc12)N1CC[C@@H](c2ccccn2)C1	ZINC000852498583	EG	On-Demand	Anodyne	HNMT	48	36
O=C(N[C@H]1CN(C[C@H]2CCCOC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498661	GG	On-Demand	Anodyne	CCR5	86	40
O=C(N[C@H]1CN(C[C@@H]2CCCOC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498662	GG	On-Demand	Anodyne	CCR5	86	40
O=C(N[C@@H]1CN(CCOCC(F)F)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498666	GF	On-Demand	Anodyne	CCR5	91	37
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCc1ccnc2ccccc12	ZINC000852498667	GE	On-Demand	Reactive	MTNR1A	26	42
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)NCCc1ccnc2ccccc12	ZINC000852498667	GE	On-Demand	Reactive	MTNR1B	23	42
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498670	GG	On-Demand	Anodyne	ACACB	15	41
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498670	GG	On-Demand	Anodyne	PREP	30	44
CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498671	GG	On-Demand	Anodyne	ACACB	15	41
CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)NCCc1ccnc2ccccc12	ZINC000852498671	GG	On-Demand	Anodyne	PREP	30	44
O=C(N[C@H]1CN(C[C@@H]2CCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498672	FF	On-Demand	Anodyne	CCR5	93	38
O=C(N[C@H]1CN(C[C@H]2CCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498673	FF	On-Demand	Anodyne	CCR5	93	38
COC[C@@H](CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1)OC	ZINC000852498675	GE	On-Demand	Anodyne	CCR5	95	38
O=C(N[C@H]1CN(CCCn2ccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498676	GF	On-Demand	Anodyne	CCR5	87	37
Cc1oncc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498677	GG	On-Demand	Anodyne	CCR5	88	36
NS(=O)(=O)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498678	GC	On-Demand	Anodyne	CCR5	81	39
O=C(CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)NC1CC1	ZINC000852498679	GD	On-Demand	Anodyne	DRD4	15	45
O=C(CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)NC1CC1	ZINC000852498679	GD	On-Demand	Anodyne	CCR3	18	40
O=C(CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)NC1CC1	ZINC000852498679	GD	On-Demand	Anodyne	CCR5	87	38
O=C(N[C@H]1CN(CC2CC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498680	EG	On-Demand	Anodyne	CCR5	101	45
O=C(N[C@H]1CN(Cc2csnn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498685	GF	On-Demand	Anodyne	CCR5	92	36
O=C(N[C@@H]1CN(CC2(O)CCC2)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498687	FF	On-Demand	Anodyne	CCR5	78	37
CN(C)C(=O)OC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498690	FF	On-Demand	Anodyne	ADAM17	56	39
CN(C)C(=O)OC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498690	FF	On-Demand	Anodyne	MTNR1A	20	40
CN(C)C(=O)OC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498690	FF	On-Demand	Anodyne	MTNR1B	15	40
CN(C)C(=O)OC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498690	FF	On-Demand	Anodyne	HNMT	46	34
CN(C)C(=O)OC1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852498690	FF	On-Demand	Anodyne	EPHX2	20	42
O=C(N[C@H]1CN(CCc2cccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498693	GG	On-Demand	Anodyne	CCR5	96	39
O=C(N[C@H]1CN(CCc2cccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498693	GG	On-Demand	Anodyne	CHRNA7	44	43
O=C(N[C@H]1CN(Cc2cnc[nH]2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498695	FF	On-Demand	Anodyne	CCR5	86	38
Cn1cc(CCN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)cn1	ZINC000852498696	GF	On-Demand	Anodyne	CCR5	90	37
C#CCOCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498698	FE	On-Demand	Mild	CCR5	79	35
Cc1cc([C@@](C)(O)CNC(=O)NCCc2ccnc3ccccc23)c(C)o1	ZINC000852498699	FG	On-Demand	Anodyne	MTNR1A	38	42
Cc1cc([C@@](C)(O)CNC(=O)NCCc2ccnc3ccccc23)c(C)o1	ZINC000852498699	FG	On-Demand	Anodyne	MTNR1B	28	42
Nc1ncccc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498711	GF	On-Demand	Anodyne	CCR5	79	35
CCC(=O)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498720	FG	On-Demand	Anodyne	CCR5	95	38
Cn1cncc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498723	GF	On-Demand	Anodyne	CCR5	89	37
O=C(NCCc1ccnc2ccccc12)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852498726	GH	On-Demand	Anodyne	ADAM17	18	40
O=C(NCCc1ccnc2ccccc12)N1CCC(Oc2ccc(F)nc2)CC1	ZINC000852498726	GH	On-Demand	Anodyne	EPHX2	19	43
Cc1nccc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)n1	ZINC000852498727	GF	On-Demand	Anodyne	CCR5	97	36
CN(C[C@@H](O)c1cccnc1)C[C@@H]1COCCO1	ZINC000852498729	CC	On-Demand	Anodyne	CYP51A1	16	40
CN(C[C@@H]1COCCO1)C[C@H](O)c1cccnc1	ZINC000852498730	CC	On-Demand	Anodyne	CYP51A1	16	40
Cc1nc([C@@H](C)N2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)n[nH]1	ZINC000852498734	GF	On-Demand	Anodyne	CCR5	80	36
CNC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498735	FD	On-Demand	Anodyne	DRD4	15	47
CNC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498735	FD	On-Demand	Anodyne	CCR5	94	39
N#CC1(CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)CC1	ZINC000852498738	FF	On-Demand	Mild	CCR5	87	37
O=C(N[C@H]1CN(Cc2cncc(F)c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498739	GG	On-Demand	Anodyne	CCR5	91	36
Cc1nc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)oc1C	ZINC000852498740	GG	On-Demand	Anodyne	CCR5	91	36
O=C(NCCc1ccnc2ccccc12)N1CCC[C@]2(C1)CC2(F)F	ZINC000852498741	EH	On-Demand	Anodyne	HNMT	46	35
O=C(NCCc1ccnc2ccccc12)N1CCC[C@@]2(C1)CC2(F)F	ZINC000852498742	EH	On-Demand	Anodyne	HNMT	46	35
O=C(N[C@H]1CN(CCc2cn[nH]c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498751	GF	On-Demand	Anodyne	CCR5	89	36
O=C(NCCc1ccnc2ccccc12)N[C@@H](CO)C1CC1	ZINC000852498752	CD	On-Demand	Anodyne	MTNR1A	15	40
O=C(NCCc1ccnc2ccccc12)N[C@H](CO)C1CC1	ZINC000852498753	CD	On-Demand	Anodyne	MTNR1A	15	40
COC[C@@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498853	GD	On-Demand	Anodyne	CCR5	97	38
C=C(C)[C@@H](CO)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498854	FF	On-Demand	Mild	CCR5	87	38
C=C(C)[C@H](CO)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498855	FF	On-Demand	Mild	CCR5	87	38
Cc1cnc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)nc1	ZINC000852498857	GF	On-Demand	Anodyne	CCR5	95	37
Nc1cccc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c1	ZINC000852498859	GG	On-Demand	Anodyne	DRD4	21	43
Nc1cccc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c1	ZINC000852498859	GG	On-Demand	Anodyne	SIGMAR1	18	45
Nc1cccc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c1	ZINC000852498859	GG	On-Demand	Anodyne	CCR3	31	46
Nc1cccc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c1	ZINC000852498859	GG	On-Demand	Anodyne	CCR5	85	38
Nc1cccc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c1	ZINC000852498859	GG	On-Demand	Anodyne	MCHR1	19	40
Nc1cccc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)c1	ZINC000852498859	GG	On-Demand	Anodyne	CACNA1G	23	40
CCn1ncnc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498866	GE	On-Demand	Anodyne	CCR5	96	39
O=C(NCCc1ccnc2ccccc12)N1CCC=C(Br)C1	ZINC000852498867	FG	On-Demand	Anodyne	HNMT	41	35
CCNC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498868	GD	On-Demand	Anodyne	CCR5	92	38
O=C(N[C@@H]1CN(CCO)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498869	ED	On-Demand	Anodyne	CCR5	90	39
O=C(CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1)N1CCC1	ZINC000852498870	GD	On-Demand	Anodyne	CCR5	83	38
O=C(N[C@H]1CN(CCn2ccnc2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498871	GF	On-Demand	Anodyne	CCR5	89	37
CNC(=O)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498872	GD	On-Demand	Anodyne	CCR5	96	38
CCOC(=O)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498875	GF	On-Demand	Anodyne	CCR5	95	36
Cn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498876	FG	On-Demand	Anodyne	HNMT	47	35
Cn1ccnc1[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852498877	FG	On-Demand	Anodyne	HNMT	47	35
C[S@@](=O)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498878	GE	On-Demand	Anodyne	CCR5	94	40
O=C(N[C@@H]1CN(CCCCCCO)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498881	GG	On-Demand	Anodyne	CCR5	85	38
CC(C)(C)CC(=O)NNC(=O)NCCc1ccnc2ccccc12	ZINC000852498882	EF	On-Demand	Reactive	MTNR1A	35	44
CC(C)(C)CC(=O)NNC(=O)NCCc1ccnc2ccccc12	ZINC000852498882	EF	On-Demand	Reactive	MTNR1B	27	44
CCN(C)C(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498889	GE	On-Demand	Anodyne	CCR5	99	38
O=C(N[C@H]1CN(Cc2ccncc2F)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498892	GG	On-Demand	Anodyne	CCR5	89	37
O=C(NCCc1ccnc2ccccc12)N1CC[C@H](c2c(F)cccc2F)C1	ZINC000852498901	GI	On-Demand	Anodyne	HNMT	40	34
O=C(NCCc1ccnc2ccccc12)N1CC[C@@H](c2c(F)cccc2F)C1	ZINC000852498902	GI	On-Demand	Anodyne	HNMT	40	34
C=CCC[C@@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498903	GF	On-Demand	Mild	CCR5	83	38
C=CCC[C@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498904	GF	On-Demand	Mild	CCR5	83	38
Cc1nonc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498907	GF	On-Demand	Anodyne	CCR5	85	36
Cc1nn(C)cc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498908	GF	On-Demand	Anodyne	CCR5	91	36
O=C(N[C@@H]1CN(CCC2(O)CCC2)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498913	GF	On-Demand	Anodyne	CCR5	69	36
CCc1cnc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)o1	ZINC000852498919	GG	On-Demand	Anodyne	CCR5	90	38
CC(C)(C)[C@@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498925	GG	On-Demand	Anodyne	CCR5	98	41
O=C(N[C@H]1CN(CC2CCOCC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498926	GG	On-Demand	Anodyne	CCR5	92	40
N#CCC[C@H](C#N)CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498927	GG	On-Demand	Mild	CCR5	79	36
N#CCC[C@@H](C#N)CN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498928	GG	On-Demand	Mild	CCR5	79	36
CCNC(=O)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498934	GE	On-Demand	Anodyne	CCR5	93	37
O=C(N[C@H]1CN(Cc2nccs2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498935	GG	On-Demand	Anodyne	CCR5	89	36
CCOC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498936	GE	On-Demand	Anodyne	CCR5	98	38
O=C(N[C@H]1CN(C/C=C\Cl)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498939	FG	On-Demand	Anodyne	CCR5	85	39
O=C(N[C@H]1CN(C/C=C/Cl)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498940	FG	On-Demand	Anodyne	CCR5	85	39
N#CC1(CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)CCC1	ZINC000852498941	GG	On-Demand	Mild	CCR5	85	38
C[C@@H](CO)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498951	FE	On-Demand	Anodyne	CCR5	99	41
C[C@H](CO)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498952	FE	On-Demand	Anodyne	CCR5	99	41
O=C(N[C@H]1CN(Cc2ncccn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498953	GF	On-Demand	Anodyne	CCR5	91	37
CC(=O)CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498955	FF	On-Demand	Anodyne	CCR5	98	39
Cn1ncc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)n1	ZINC000852498958	GD	On-Demand	Anodyne	CCR5	95	37
O=C(N[C@@H]1CN(C[C@@H](O)C2CC2)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498959	FE	On-Demand	Anodyne	CCR5	99	41
O=C(N[C@@H]1CN(C[C@H](O)C2CC2)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498960	FE	On-Demand	Anodyne	CCR5	99	41
C=CCOCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498962	FF	On-Demand	Mild	CCR5	82	37
O=C(N[C@H]1CN(Cc2cscn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498963	GG	On-Demand	Anodyne	CCR5	87	35
O=C(N[C@H]1CN(Cc2cscn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498963	GG	On-Demand	Anodyne	SCN5A	43	36
C[C@@H](C#N)OCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498964	GF	On-Demand	Mild	CCR5	98	39
C[C@H](C#N)OCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498965	GF	On-Demand	Mild	CCR5	98	39
O=C(N[C@@H]1CN(Cc2ccc(F)cn2)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498966	GG	On-Demand	Anodyne	CCR5	92	37
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCc1ccnc2ccccc12	ZINC000852498975	GD	On-Demand	Reactive	NQO2	19	47
CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCc1ccnc2ccccc12	ZINC000852498975	GD	On-Demand	Reactive	MTNR1A	20	43
CN(CC(C)(C)S(C)(=O)=O)C(=O)NCCc1ccnc2ccccc12	ZINC000852498978	FE	On-Demand	Anodyne	MTNR1A	17	40
O=C(N[C@@H]1CN(CC2(O)CCCC2)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498983	GF	On-Demand	Anodyne	CCR5	78	37
N#C[C@H]1CN(C(=O)NCCc2ccnc3ccccc23)CCN1C1CC1	ZINC000852498986	EE	On-Demand	Mild	PREP	22	48
N#C[C@@H]1CN(C(=O)NCCc2ccnc3ccccc23)CCN1C1CC1	ZINC000852498987	EE	On-Demand	Mild	PREP	22	48
O=C(N[C@H]1CN(CCc2ccccn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852498988	GG	On-Demand	Anodyne	CCR5	94	38
Cn1cnnc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498990	GD	On-Demand	Anodyne	CCR5	92	36
CC[C@@H](C(N)=O)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498991	GD	On-Demand	Anodyne	CCR5	98	40
C[C@@H](O)CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852498994	GF	On-Demand	Anodyne	CCR5	102	41
C#CCNC(=O)CCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852498997	GD	On-Demand	Mild	CCR5	78	36
CON(C)C(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499006	GD	On-Demand	Anodyne	CCR5	94	37
O=C(N[C@H]1CN(CCN2CCCC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499007	GF	On-Demand	Anodyne	SLC6A1	76	38
O=C(N[C@H]1CN(CCN2CCCC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499007	GF	On-Demand	Anodyne	CCR3	43	36
O=C(N[C@H]1CN(CCN2CCCC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499007	GF	On-Demand	Anodyne	CCR5	93	41
CNC(=O)CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499010	GE	On-Demand	Anodyne	CCR5	93	37
O=C(NCCc1ccnc2ccccc12)N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000852499011	GH	On-Demand	Anodyne	NOS2	55	35
O=C(NCCc1ccnc2ccccc12)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000852499012	GH	On-Demand	Anodyne	NOS2	55	35
COCCN(CCF)C(=O)NCCc1ccnc2ccccc12	ZINC000852499015	DE	On-Demand	Anodyne	MTNR1A	25	44
O=C(N[C@H]1CN(CCn2cncn2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499019	GD	On-Demand	Anodyne	CCR5	85	35
O=C1CC[C@@H](CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)N1	ZINC000852499021	GD	On-Demand	Anodyne	CCR5	87	39
Cn1nccc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499022	GF	On-Demand	Anodyne	CCR5	87	36
CCOC[C@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499024	GE	On-Demand	Anodyne	CCR5	96	37
CC(C)(C#N)CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499033	GH	On-Demand	Mild	CCR5	76	37
O=C(N[C@H]1CN(CCC2OCCO2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499034	GE	On-Demand	Anodyne	CCR5	88	38
C[C@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499070	EE	On-Demand	Anodyne	CCR5	102	42
Cn1nncc1CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499071	GD	On-Demand	Anodyne	CCR5	85	37
CO[C@@H](C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499079	FF	On-Demand	Anodyne	CCR5	102	41
COC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499080	FD	On-Demand	Anodyne	CCR5	97	39
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852499088	GF	On-Demand	Anodyne	NQO2	31	44
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852499088	GF	On-Demand	Anodyne	MTNR1A	97	54
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852499088	GF	On-Demand	Anodyne	MTNR1B	78	54
COc1ccc(OC)c([C@H](O)CNC(=O)NCCc2ccnc3ccccc23)c1	ZINC000852499088	GF	On-Demand	Anodyne	PDGFRA	47	36
Cc1nc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)n[nH]1	ZINC000852499089	GE	On-Demand	Anodyne	CCR5	88	38
CC[C@@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499090	FE	On-Demand	Anodyne	CCR5	101	40
CC[C@H](O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499091	FE	On-Demand	Anodyne	CCR5	101	40
NC(=O)NC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499093	GC	On-Demand	Anodyne	CCR5	77	38
CC[C@@H](C(=O)OC)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499094	GF	On-Demand	Anodyne	CCR5	95	38
O=C(N[C@@H]1CN([C@@H]2CCCC[C@H]2O)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499104	GF	On-Demand	Anodyne	SLC18A3	38	45
C#CCCN1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1	ZINC000852499106	EF	On-Demand	Mild	CCR5	81	37
CN(C)C(=O)O[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852499108	FF	On-Demand	Anodyne	ADAM17	50	38
CN(C)C(=O)O[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852499108	FF	On-Demand	Anodyne	PREP	20	41
CN(C)C(=O)O[C@@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852499108	FF	On-Demand	Anodyne	HNMT	47	34
O=C1C[C@H](CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)CN1	ZINC000852499109	GD	On-Demand	Anodyne	CCR5	79	40
O=C1C[C@@H](CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)CN1	ZINC000852499110	GD	On-Demand	Anodyne	CCR5	79	40
O=C(N[C@@H]1CN(CCOC(F)F)CC[C@@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499111	GF	On-Demand	Anodyne	CCR5	94	38
CCOC(=O)[C@H](C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499113	GF	On-Demand	Anodyne	CCR5	98	39
CCc1nc(CNC(=O)NCCc2ccnc3ccccc23)co1	ZINC000852499123	DF	On-Demand	Anodyne	MTNR1A	37	42
CCc1nc(CNC(=O)NCCc2ccnc3ccccc23)co1	ZINC000852499123	DF	On-Demand	Anodyne	MTNR1B	26	42
O=C(N[C@H]1CN(CCOC2CCC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499124	GG	On-Demand	Anodyne	CCR5	90	38
O=C(N[C@H]1CN(Cc2cccc(F)n2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499125	GG	On-Demand	Anodyne	CCR5	91	36
O=C(NCCc1ccnc2ccccc12)N1CCC(c2cn[nH]c2)CC1	ZINC000852499126	EG	On-Demand	Anodyne	EPHX2	15	41
COc1ccc2c(c1)CN(C(=O)NCCc1ccnc3ccccc13)CCO2	ZINC000852499127	GG	On-Demand	Anodyne	NQO2	29	40
COc1ccc2c(c1)CN(C(=O)NCCc1ccnc3ccccc13)CCO2	ZINC000852499127	GG	On-Demand	Anodyne	KDR	24	40
COc1ccc2c(c1)CN(C(=O)NCCc1ccnc3ccccc13)CCO2	ZINC000852499127	GG	On-Demand	Anodyne	MTNR1A	87	51
COc1ccc2c(c1)CN(C(=O)NCCc1ccnc3ccccc13)CCO2	ZINC000852499127	GG	On-Demand	Anodyne	MTNR1B	66	51
O=C(N[C@H]1CN(CCc2cnn[nH]2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499128	GE	On-Demand	Anodyne	CCR5	72	37
C#CCNC(=O)C1CCN(C(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852499131	FD	On-Demand	Mild	HNMT	46	34
Cc1cccc2c1CCN(C(=O)NCCc1ccnc3ccccc13)C2	ZINC000852499139	EH	On-Demand	Anodyne	FABI	43	33
Cc1cccc2c1CCN(C(=O)NCCc1ccnc3ccccc13)C2	ZINC000852499139	EH	On-Demand	Anodyne	P2RY14	41	34
CN(CCNC(=O)OC(C)(C)C)C(=O)NCCc1ccnc2ccccc12	ZINC000852499140	FF	On-Demand	Anodyne	NQO2	17	49
CN(CCNC(=O)OC(C)(C)C)C(=O)NCCc1ccnc2ccccc12	ZINC000852499140	FF	On-Demand	Anodyne	MTNR1A	23	43
O=C(N[C@H]1CN(Cc2ccon2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499141	FF	On-Demand	Anodyne	CCR5	87	35
NC(=O)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499142	ED	On-Demand	Anodyne	CCR5	87	38
COCCCCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1	ZINC000852499143	GG	On-Demand	Anodyne	CCR5	93	37
Cn1nnc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)n1	ZINC000852499144	GD	On-Demand	Anodyne	CCR5	92	39
O=C(N[C@H]1CN(C[C@H]2CCOC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499147	FF	On-Demand	Anodyne	CCR5	86	39
O=C(N[C@H]1CN(C[C@@H]2CCOC2)CC[C@H]1c1cccc(F)c1)C(F)(F)F	ZINC000852499148	FF	On-Demand	Anodyne	CCR5	86	39
Cn1cc(CN2CC[C@H](c3cccc(F)c3)[C@H](NC(=O)C(F)(F)F)C2)cn1	ZINC000852499149	GF	On-Demand	Anodyne	CCR5	90	36
O=C(Cc1ccccc1)OCCN1CCC(O)(CO)CC1	ZINC000852499167	CC	On-Demand	Anodyne	LTA4H	29	41
O=C(Cc1ccccc1)OCCN1CCC(O)(CO)CC1	ZINC000852499167	CC	On-Demand	Anodyne	SIGMAR1	44	47
O=C(Cc1ccccc1)OCCN1CCC(O)(CO)CC1	ZINC000852499167	CC	On-Demand	Anodyne	SLC12A5	62	34
CCOC(=O)N[C@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852499179	FF	On-Demand	Anodyne	MTNR1A	17	40
CCOC(=O)N[C@H]1CCCN(C(=O)NCCc2ccnc3ccccc23)C1	ZINC000852499179	FF	On-Demand	Anodyne	HNMT	46	34
O=C(CN1CCC(O)(CO)CC1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852499183	GD	On-Demand	Anodyne	DRD4	26	40
O=C(CN1CCC(O)(CO)CC1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852499183	GD	On-Demand	Anodyne	CNR2	23	44
O=C(CN1CCC(O)(CO)CC1)Nc1ccccc1C(=O)NC1CCCC1	ZINC000852499183	GD	On-Demand	Anodyne	SIGMAR1	15	40
CCOC(=O)C1=C(CN2CCC(O)(CO)CC2)NC(=O)N[C@H]1c1ccccc1	ZINC000852499193	GC	On-Demand	Anodyne	CACNA1C	30	43
CCOC(=O)C1=C(CN2CCC(O)(CO)CC2)NC(=O)N[C@H]1c1ccccc1	ZINC000852499193	GC	On-Demand	Anodyne	CACNA1D	30	43
CCOC(=O)C1=C(CN2CCC(O)(CO)CC2)NC(=O)N[C@H]1c1ccccc1	ZINC000852499193	GC	On-Demand	Anodyne	SLC27A4	79	36
CCOC(=O)C1=C(CN2CCC(O)(CO)CC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852499194	GC	On-Demand	Anodyne	CACNA1C	30	43
CCOC(=O)C1=C(CN2CCC(O)(CO)CC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852499194	GC	On-Demand	Anodyne	CACNA1D	30	43
CCOC(=O)C1=C(CN2CCC(O)(CO)CC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000852499194	GC	On-Demand	Anodyne	SLC27A4	79	36
CC(C)(C)OC(=O)N1CCC(CN2CCC(O)(CO)CC2)CC1	ZINC000852499198	ED	On-Demand	Anodyne	GPR119	34	41
O=C(CN1CCC(O)(CO)CC1)NNC(=O)c1ccccc1Cl	ZINC000852499205	EB	On-Demand	Reactive	HCN1	42	31
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	HTR1A	39	61
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	CHRM1	15	47
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	DRD2	29	55
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	ADRA1D	21	48
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	ADRA1A	24	48
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	ADRA1B	25	48
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	DRD3	15	55
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	HTR7	41	48
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	SIGMAR1	32	42
O=C1c2ccccc2C(=O)N1CCCCCCN1CCC(O)(CO)CC1	ZINC000852499228	FD	On-Demand	Anodyne	CYP2J2	44	33
O=C(CN1CCC(O)(CO)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000852499255	GC	On-Demand	Bother	SSTR1	45	48
O=C(CN1CCC(O)(CO)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000852499265	GD	On-Demand	Clean	CASP2	17	41
O=C(CN1CCC(O)(CO)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000852499265	GD	On-Demand	Clean	CASP6	15	41
O=C(CN1CCC(O)(CO)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000852499265	GD	On-Demand	Clean	SLC1A2	55	38
C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(O)(CO)CC1	ZINC000852499267	DC	On-Demand	Anodyne	G2YM83_BOTF4	71	36
Cc1ccccc1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000852499288	GE	On-Demand	Clean	AMP1_PLAFQ	15	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	CTSD	72	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	PGC	63	38
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	PAPA1_CARPA	32	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	CTSL	16	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	TACR3	17	42
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	REN	78	47
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	REN1	25	43
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	BACE1	51	41
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	FPR1	51	40
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(CO)CC1	ZINC000852499303	GD	On-Demand	Anodyne	PLM2_PLAFA	40	35
O=C(CN1CCC(O)(CO)CC1)NOCc1ccccc1	ZINC000852499313	CC	On-Demand	Anodyne	NPFFR1	43	36
O=C(CN1CCC(O)(CO)CC1)NOCc1ccccc1	ZINC000852499313	CC	On-Demand	Anodyne	SLC12A5	69	40
O=C(CN1CCC(O)(CO)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852499314	EC	On-Demand	Anodyne	DRD4	27	41
O=C(c1ccc(CN2CCC(O)(CO)CC2)cc1)N1CCCC1	ZINC000852499344	DD	On-Demand	Anodyne	HRH3	24	54
O=C(c1ccc(CN2CCC(O)(CO)CC2)cc1)N1CCCC1	ZINC000852499344	DD	On-Demand	Anodyne	LSS	15	47
O=C(c1ccc(CN2CCC(O)(CO)CC2)cc1)N1CCCC1	ZINC000852499344	DD	On-Demand	Anodyne	CCR8	29	46
O=C(c1ccc(CN2CCC(O)(CO)CC2)cc1)N1CCCC1	ZINC000852499344	DD	On-Demand	Anodyne	MLYCD	17	40
O=C(c1ccc(CN2CCC(O)(CO)CC2)cc1)N1CCCC1	ZINC000852499344	DD	On-Demand	Anodyne	L3MBTL3	75	55
COC(=O)/C=C\c1ccc(OCCN2CCC(O)(CO)CC2)cc1	ZINC000852499358	ED	On-Demand	Anodyne	LTA4H	41	39
COC(=O)/C=C\c1ccc(OCCN2CCC(O)(CO)CC2)cc1	ZINC000852499358	ED	On-Demand	Anodyne	HRH3	21	46
COC(=O)/C=C\c1ccc(OCCN2CCC(O)(CO)CC2)cc1	ZINC000852499358	ED	On-Demand	Anodyne	MMP13	18	45
COC(=O)/C=C\c1ccc(OCCN2CCC(O)(CO)CC2)cc1	ZINC000852499358	ED	On-Demand	Anodyne	PSMB2	40	38
COC(=O)/C=C\c1ccc(OCCN2CCC(O)(CO)CC2)cc1	ZINC000852499358	ED	On-Demand	Anodyne	PSMB1	43	38
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852499365	ED	On-Demand	Anodyne	PRNP	39	40
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(N2CCCC2)cc1	ZINC000852499365	ED	On-Demand	Anodyne	SLC27A1	42	39
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852499377	EC	On-Demand	Anodyne	PIK3CA	42	40
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852499377	EC	On-Demand	Anodyne	MTOR	81	40
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852499377	EC	On-Demand	Anodyne	EPHX2	18	45
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852499377	EC	On-Demand	Anodyne	PIK3CG	35	40
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852499377	EC	On-Demand	Anodyne	STAT6	60	36
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852499386	EE	On-Demand	Anodyne	LTA4H	22	45
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852499386	EE	On-Demand	Anodyne	ACOX1	18	41
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852499386	EE	On-Demand	Anodyne	PRNP	40	42
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852499386	EE	On-Demand	Anodyne	SLC1A1	18	45
O=C(CN1CCC(O)(CO)CC1)Nc1ccc(-c2ccccc2)cc1	ZINC000852499386	EE	On-Demand	Anodyne	SLC1A2	32	45
CC(C)[C@H]1CCCN1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000852499400	GE	On-Demand	Clean	TMPRSS11D	59	35
CC[C@@H](C)c1ccc(NC(=O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499407	DD	On-Demand	Anodyne	SCN2A	19	45
CC(=O)c1ccc(N2CCN(C(=O)CN3CCC(O)(CO)CC3)CC2)c(F)c1	ZINC000852499444	GC	On-Demand	Anodyne	NPY2R	50	37
CC(=O)c1ccc(N2CCN(C(=O)CN3CCC(O)(CO)CC3)CC2)c(F)c1	ZINC000852499444	GC	On-Demand	Anodyne	SLC6A9	21	46
COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(O)(CO)CC1	ZINC000852499448	DC	On-Demand	Mild	NPY2R	16	40
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499449	DC	On-Demand	Anodyne	ACOX1	76	36
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499449	DC	On-Demand	Anodyne	CCR1	43	37
CC(=O)c1ccc(OC[C@@H](O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499449	DC	On-Demand	Anodyne	ABCB1	79	50
CC(=O)c1ccc(OC[C@H](O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499450	DC	On-Demand	Anodyne	ACOX1	76	36
CC(=O)c1ccc(OC[C@H](O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499450	DC	On-Demand	Anodyne	CCR1	43	37
CC(=O)c1ccc(OC[C@H](O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499450	DC	On-Demand	Anodyne	ABCB1	79	50
NC(=O)c1c(NC(=O)CCN2CCC(O)(CO)CC2)sc2c1CCCC2	ZINC000852499466	GC	On-Demand	Anodyne	VIPR1	24	40
O=[N+]([O-])c1ccc([C@H](O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499490	CC	On-Demand	Bother	KCNJ1	22	43
O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(O)(CO)CC2)cc1	ZINC000852499491	CC	On-Demand	Bother	KCNJ1	22	43
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1Cc2ccccc2C1	ZINC000852499518	GE	On-Demand	Clean	NAMPT	27	57
O=C(CN1CCC(O)(CO)CC1)Nc1ccc2ccccc2c1	ZINC000852499523	DD	On-Demand	Anodyne	DRD4	18	43
O=C(CN1CCC(O)(CO)CC1)Nc1ccc2ccccc2c1	ZINC000852499523	DD	On-Demand	Anodyne	ACOX1	40	36
O=C(CN1CCC(O)(CO)CC1)Nc1ccc2ccccc2c1	ZINC000852499523	DD	On-Demand	Anodyne	SLC1A2	20	41
O=C(CN1CCC(O)(CO)CC1)Nc1ccc2ccccc2c1	ZINC000852499523	DD	On-Demand	Anodyne	IMDH_CRYPV	27	42
C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(O)(CO)CC1	ZINC000852499553	DF	On-Demand	Anodyne	OPRL1	15	49
C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(O)(CO)CC1	ZINC000852499554	DF	On-Demand	Anodyne	OPRL1	15	49
CC(=O)Oc1ccc(CN2CCC(O)(CO)CC2)cc1	ZINC000852499565	CC	On-Demand	Anodyne	SIGMAR1	58	42
CC(=O)Oc1ccc(CN2CCC(O)(CO)CC2)cc1	ZINC000852499565	CC	On-Demand	Anodyne	MMP13	16	43
COc1ccc2c(CN3CCC(O)(CO)CC3)cc(=O)oc2c1	ZINC000852499569	DD	On-Demand	Anodyne	CYP19A1	17	56
COc1ccc2c(CN3CCC(O)(CO)CC3)cc(=O)oc2c1	ZINC000852499569	DD	On-Demand	Anodyne	CYP11B1	19	47
COc1ccc2c(CN3CCC(O)(CO)CC3)cc(=O)oc2c1	ZINC000852499569	DD	On-Demand	Anodyne	MAOA	47	34
COc1ccc2c(CN3CCC(O)(CO)CC3)cc(=O)oc2c1	ZINC000852499569	DD	On-Demand	Anodyne	MAOB	37	42
COc1ccc2c(CN3CCC(O)(CO)CC3)cc(=O)oc2c1	ZINC000852499569	DD	On-Demand	Anodyne	SIGMAR1	16	40
O=C(CN1CCC(O)(CO)CC1)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000852499570	GD	On-Demand	Anodyne	NR2E3	44	34
CCOc1ccc(-n2c(C)cc(C(=O)CN3CCC(O)(CO)CC3)c2C)cc1	ZINC000852499588	GE	On-Demand	Clean	CACNA2D1	52	36
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC1CCCCCC1	ZINC000852499590	GE	On-Demand	Clean	EPHX2	30	54
N#CCOc1ccc(CN2CCC(O)(CO)CC2)cc1	ZINC000852499625	CC	On-Demand	Mild	HRH3	16	42
N#CCOc1ccc(CN2CCC(O)(CO)CC2)cc1	ZINC000852499625	CC	On-Demand	Mild	SIGMAR1	31	41
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccnc2ccccc12	ZINC000852499628	FH	On-Demand	Clean	TSPO	26	42
O=C(CCN1CCC(O)(CO)CC1)OCc1ccccc1	ZINC000852499630	CC	On-Demand	Anodyne	NPR	43	32
O=C(CCN1CCC(O)(CO)CC1)OCc1ccccc1	ZINC000852499630	CC	On-Demand	Anodyne	SLC12A5	76	39
O=C(CCN1CCC(O)(CO)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852499646	FC	On-Demand	Anodyne	MTOR	54	37
O=C(CCN1CCC(O)(CO)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852499646	FC	On-Demand	Anodyne	EPHX2	23	43
O=C(CCN1CCC(O)(CO)CC1)Nc1ccc(N2CCOCC2)cc1	ZINC000852499646	FC	On-Demand	Anodyne	STAT6	62	37
CCc1nc(CNC(=O)NC[C@@H]2OCCN(CC)[C@H]2c2ccccc2)co1	ZINC000852499651	FE	On-Demand	Anodyne	INHA	46	32
O=[N+]([O-])c1cccc([C@H](O)CN2CCC(O)(CO)CC2)c1	ZINC000852499658	CC	On-Demand	Bother	CACNA1D	40	33
O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(O)(CO)CC2)c1	ZINC000852499659	CC	On-Demand	Bother	CACNA1D	40	33
N#CC1CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	ZINC000852499677	GD	On-Demand	Mild	L3MBTL3	19	40
O=C(CCN1CCC(O)(CO)CC1)Nc1ccccc1C(=O)NC1CC1	ZINC000852499678	FC	On-Demand	Anodyne	DRD4	17	43
O=C(CN1CCC(O)(CO)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852499679	EB	On-Demand	Reactive	DRD4	40	31
O=C(CN1CCC(O)(CO)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852499679	EB	On-Demand	Reactive	CACNA1I	26	41
O=C(CN1CCC(O)(CO)CC1)NNC(=O)c1cccc(Cl)c1	ZINC000852499679	EB	On-Demand	Reactive	LUCI_LUCLA	16	41
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NNc1ccc(F)cn1	ZINC000852499700	GD	On-Demand	Reactive	STAT6	55	32
CCOC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852499715	FF	On-Demand	Anodyne	GRIN2B	23	40
CCOC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852499715	FF	On-Demand	Anodyne	SSTR5	50	36
CCOC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852499715	FF	On-Demand	Anodyne	ADAM17	46	38
CCOC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852499715	FF	On-Demand	Anodyne	MTNR1A	32	42
CCOC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852499715	FF	On-Demand	Anodyne	MTNR1B	25	42
CCOC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852499715	FF	On-Demand	Anodyne	EPHX2	34	42
CCOC(=O)N1CCC(NC(=O)NCCc2ccnc3ccccc23)CC1	ZINC000852499715	FF	On-Demand	Anodyne	CCR8	54	47
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC1CCCCC1	ZINC000852499787	GE	On-Demand	Clean	PROC	42	32
O=C(CN1CCC(O)(CO)CC1)OCc1ccccc1	ZINC000852499792	CC	On-Demand	Anodyne	SLC12A5	79	41
O=C(NCCc1ccnc2ccccc12)N1CCCCCCC1	ZINC000852499801	DH	On-Demand	Anodyne	PREP	18	41
O=C(NCCc1ccnc2ccccc12)N1CCCCCCC1	ZINC000852499801	DH	On-Demand	Anodyne	MTNR1A	29	43
O=C(NCCc1ccnc2ccccc12)N1CCCCCCC1	ZINC000852499801	DH	On-Demand	Anodyne	MTNR1B	23	43
O=C(NCCc1ccnc2ccccc12)N1CCCCCCC1	ZINC000852499801	DH	On-Demand	Anodyne	HNMT	95	46
Cc1cccc(C(=O)NNC(=O)CN2CCC(O)(CO)CC2)c1	ZINC000852499805	DB	On-Demand	Reactive	KCNK3	54	40
Cc1cccc(C(=O)NNC(=O)CN2CCC(O)(CO)CC2)c1	ZINC000852499805	DB	On-Demand	Reactive	KCNK9	44	40